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1996-08-08
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PROANALYST
EXAMPLES WITH STEP-BY-STEP INSTRUCTIONS
COPYRIGHT (C) 1996 Vladimir A.Ivanisenko, Alexey M.Eroshkin
Theoretical Dept., Research Institute of Molecular Biology,
SRC VB "Vector", 633159, Koltsovo, Novosibirsk region, Russia
Examples list:
1. Investigation of relationships between physico-chemical properties of
peptides and their antimicrobial activity by multiple regression
analysis.
2. Simulation of peptide engineering experiments and prediction of
antimicrobial activities of mutants.
3. Searching for activity-modulating sites in disintegrins by profile
analysis.
4. Investigation of relationships between influenza a virus resistance
to rimantadine and physico-chemical properties of M2 protein by
discriminant analysis.
5. Searching for important functional or structural 3D sites in
alpha-interferons by profile analysis.
6. Searching for patterns in combinatorial peptide library.
7. Profiles of physico-chemical properties (example with Hopp-Woods
hydrophilicity).
NOTE: Calculations were made on the complete program version.
Step-by-step instructions for:
1. INVESTIGATION OF RELATIONSHIPS BETWEEN PHYSICO-CHEMICAL PROPERTIES OF
PEPTIDES AND THEIR ANTIMICROBIAL ACTIVITY BY MULTIPLE REGRESSION
ANALYSIS.
1. Go to item "File".
2. Go to the item "Property".
3. Select the file "Property.ppt".
4. Press "Alt I" to select all properties and press "Esc".
5. Go to the item "Protein".
6. Select the file "Antimicr.ali".
7. Press "Alt I" to select all peptides and press "Esc".
8. Go to the item "Prep. data".
9. Move cursor to the first position in alignment and press "Alt B".
10. Move cursor to the last position in alignment and press "Alt E".
11. Press "F10" or "Esc" to go to the main menu.
12. Go to the item "Options".
13. Go to the item "Calculation".
14. Select "Min frame". Press "Enter", type 23, press "Enter".
15. Select "Max frame". Press "Enter", type 23, press "Enter".
16. Select "Min num. of factors". Press "Enter", type 2, press "Enter".
17. Select "Max num. of factors". Press "Enter", type 2, press "Enter".
18. Go to the main menu (by pressing "Esc").
19. Go to the item "Analysis".
20. Select "Factors definition" and press "Enter".
21. Press "Enter" on the line "Fragment 1 pos. 1-23".
22. Select "Average for a fragment" and press "Enter".
23. Switch all the properties to "On" (by pressing "Enter").
24. Press "Esc" and select "Moment, alpha helix periodicity" then press
"Enter".
25. Switch all properties to "On" (by pressing "Enter").
26. Return back to the menu item "Analysis" (by pressing "Esc").
27. Go to the item "Structure-Activity".
28. Select "Multiple regression analysis" and press "ENTER".
29. Select "Automatic" and press "Enter".
30. Wait for calculation. The menu items "Analysis" will be shown
after calculation finishing.
31. Go to the item "View last result" to see the table of results.
32. Select any result and press "F3" to see the details.
33. To write this result to disk press "F2" and select the name of
already existing file or type new filename.
34. Press "F5" to view structure-activity plots or press "F6" to
view the plot of theoretical versus experimental activities.
35. Go to the item "Save last result" (by pressing "Esc") to save
the whole table of the results.
36. Output of detail result:
_____________________________________________
Multiple regression analysis.
Split fragments: 1-23, 1-23,
Gaps - ignore.
Min-max frame: 28-28
Min-max number factors: 2-2
1) 1-23:Hydropathy Kyte-Doolittle ,Average for a fragment
2) 1-23:HPLC Parker ,Moment, A-helix periodicity
N Group Act_e Act_t e-t Value_factors Name sequence
1. 1 0.05 0.06 -0.01 0.08 2.05 Magainin 2
2. 1 0.02 -0.01 0.03 -0.21 2.01 Antisense P
3. 1 0.01 -0.01 0.02 -0.24 2.04 Analog A1
4. 1 0.00 0.02 -0.01 -0.11 2.03 Analog A2
5. 1 0.03 -0.01 0.03 -0.49 2.19 Analog B1
6. 1 0.03 0.02 0.01 -0.36 2.18 Analog B2
7. 1 0.05 0.06 -0.01 -0.60 2.48 Analog C1
8. 1 0.05 0.09 -0.04 -0.47 2.47 Analog C2
9. 1 0.10 0.16 -0.06 -0.03 2.43 Analog P1
10. 1 0.20 0.20 -0.00 0.18 2.43 Analog P2
11. 1 0.20 0.18 0.02 -0.24 2.61 Analog P3
12. 1 0.40 0.37 0.03 0.13 2.94 Analog M1
13. 1 0.33 0.33 0.00 -0.12 3.00 Analog M2
N Group Alignment sequence:
1. 1 GIGKFLHSAKKFGKAFVGEIMNS
2. 1 GIHYLSHKSFSKFFCGVQKFTNS
3. 1 GIHYLSHKSFSKFFAGVQKFTNS
4. 1 GIHYLSHKSFSKFFAGVGKFTNS
5. 1 GIHYLSHKSFSKFFKGVQKFTNS
6. 1 GIHYLSHKSFSKFFKGVGKFTNS
7. 1 GIHKLSHKSFSKFFKGVQKFTNS
8. 1 GIHKLSHKSFSKFFKGVGKFTNS
9. 1 AIHNFAHKSFAKFFRAVKKFANA
10. 1 AIHNLAHKSLAKLLRAVKKLANA
11. 1 GIHNFAHKSFAKFFRAVKKFANS
12. 1 AIHNLAHKLLKKLLRAVKKLANA
13. 1 KIHKLAHKLLKKLLKAVKKLAKA
Y=+ 0.198 X1+ 0.329 X2-0.631
95% confidence intervals for coefficients of regression
K1 K2 K0
Lower 0.115 0.268 -0.781
High 0.282 0.391 -0.481
t-test statistics for H0
5.321 11.960 9.348
P-values for H0
0.956 0.994 0.988
F-test statistic for H0 = 99.547780
P-value for H0 = 1.00000
Multiple correlation coefficient R=0.975795
Coefficient of multiple determination R-square=95.217%
Total variance of activities = 0.017141
Residual mean squares = 0.000984
__________________________________________________
37. Common table of results (the upper part):
__________________________________________________
Multiple regression analysis.
__ Number item: 0 __
Statistic 99.547780 Sign 1.00000
Fragments: 1-23 1-23
Factors:
1):Hydropathy Kyte-Doolittle ,Average for a fragment
1):HPLC Parker ,Moment, A-helix periodicity
__ Number item: 1 __
Statistic 85.821807 Sign 0.999999
Fragments: 1-23 1-23
Factors:
1):Polarity Grantham,Average for a fragment
1):HPLC Parker ,Moment, A-helix periodicity
__ Number item: 2 __
Statistic 77.788728 Sign 0.999999
Fragments: 1-23 1-23
Factors:
1):Hydropathy Kyte-Doolittle ,Moment, A-helix periodicity
1):Polarity Bogardt et al.,Average for a fragment
__ Number item: 3 __
Statistic 70.647806 Sign 0.999999
Fragments: 1-23 1-23
Factors:
1):Hydropathy Kyte-Doolittle ,Moment, A-helix periodicity
1):HPLC Parker ,Average for a fragment
__ Number item: 4 __
Statistic 67.409267 Sign 0.999998
Fragments: 1-23 1-23
Factors:
1):HPLC Parker ,Average for a fragment
1):HPLC Parker ,Moment, A-helix periodicity
__ Number item: 5 __
Statistic 60.843946 Sign 0.999997
Fragments: 1-23 1-23
Factors:
1):Hydropathy Kyte-Doolittle ,Moment, A-helix periodicity
1):Hydrophilicity Hopp-Woods,Average for a fragment
__ Number item: 6 __
Statistic 60.693755 Sign 0.999997
Fragments: 1-23 1-23
Factors:
1):Polarity Grantham,Average for a fragment
1):Polarity Grantham,Moment, A-helix periodicity
..........
__________________________________________________________________
2. SIMULATION OF PEPTIDE ENGINEERING EXPERIMENTS AND PREDICTION OF
ANTIMICROBIAL ACTIVITIES OF MUTANTS.
1. Go to the item "File".
2. Go to the item "Property".
3. Select file "Property.ppt".
4. Press "Alt I" to select all properties and press "Esc".
5. Go to the item "Protein".
6. Select file "Antimicr.ali".
7. Press "Alt I" to select all peptides and press "Esc".
8. Go to the item "Prep. data".
9. Return back to the item "File".
10. Select the item "Save protein".
11. Type new file name (for example "antimic1").
12. Go to the item "Prep data".
13. Press "Ctrl Alt C" (group's numbers will be changed to 0 for all
peptides).
14. Move cursor to the first peptide and press "ENTER" (group number of
the peptide will be changed to 1).
15. Press "ENTER" on the next two peptides. We'll mutate the first
three peptides.
16. Move cursor to first peptide and press "Alt N".
17. Press "F4".
18. Delete old name by pressing "DEL" and type new name of the peptide
(for example "mutant1") and press "ENTER".
19. Change the names of the next two peptides (mutant2, mutant3).
20. Press "Esc" to go to the main window.
21. Press "Alt D" to go to activities window.
22. Select mutant1, press "F4", delete old value of activity, type "0",
press "ENTER".
23. Change the activities of the mutants mutant2 and mutant3..
24. Press "Esc" to go to the main window.
25. Move cursor to position number 8 in mutant1.
26. Type new amino acids "kll". Move cursor to position 12 and type
"kl".
27. Move cursor to mutant2 and make the same mutations.
28. Make the same mutations in mutant3.
29. Go to the item "File" and select "Save protein".
30. Select file "ANTIMIC1.ALI" and press "ENTER" (peptides with group
number not equaled to 0 will be added to the file "ANTIMIC1.ALI").
31. Select menu item "Protein".
32. Select file "ANTIMIC1.ALI"
33. Go to the item "Prep. data".
34. Move cursor to "mutant1" and press "ENTER" to change number of
group to 0).
[This is important. Proteins (peptides) from group "0" will not
be used in calculation of regressions, but theoretical activity
will be calculated for them].
35. Change the number of group to 0 for "mutant2" and "mutant3".
36. Move cursor to the first position in sequence and press "Alt B".
37. Move cursor to the last position in sequence and press "Alt E".
38. Press "F10" or "Esc" to go to the main menu.
39. Go to menu item "Options".
40. Go to the item "Calculation".
41. Select "Min frame". Press "Enter", type 23, press "Enter".
42. Select "Max frame". Press "Enter", type 23, press "Enter".
43. Select "Min num. of factors". Press "Enter", type 2, press "Enter".
44. Select "Max num. of factors". Press "Enter", type 2, press "Enter".
45. Go to the main menu by pressing "Esc".
46. Go to menu item "Analysis".
47. Select "Factors definition".
48. Press "Enter" to select "Fragment 1 pos. 1-23".
49. Select "Average for a fragment".
50. Switch all the properties to "On" by pressing "Enter".
51. Press "Esc" , select "Moment, alpha helix periodicity" and press
"Enter".
52. Switch all the properties to "On" by pressing "Enter".
53. Return back to the menu item "Analysis" (by pressing "Esc").
54. Go to the item "Structure-Activity".
55. Select "Multiple regression analysis" and press "ENTER".
56. Select "Automatic" and press "Enter".
57. After finishing calculation, menu item "Analysis" will be shown.
58. Go to the item "View last result", press "Enter" and you'll see the
table of results.
59. Select the first one and press "F3" to view the details.
60. Press "F2" and type the name of result file "resmut1" to write the
result to disk.
61. You will find the values of theoretical activity for our mutants
in the file "RESMUT1.RES".
62. RESMUT1.RES listing:
_____________________________________________
Multiple regression analysis.
Split fragments: 1-23, 1-23,
Gaps - ignore.
Min-max frame: 28-28
Min-max number factors: 2-2
1) 1-23:Hydropathy Kyte-Doolittle ,Average for a fragment
2) 1-23:HPLC Parker ,Moment, A-helix periodicity
N Group Act_e Act_t e-t Value_factors Name sequence
1. 1 0.05 0.06 -0.01 0.08 2.05 Magainin 2
2. 1 0.02 -0.01 0.03 -0.21 2.01 Antisense P
3. 1 0.01 -0.01 0.02 -0.24 2.04 Analog A1
4. 1 0.00 0.02 -0.01 -0.11 2.03 Analog A2
5. 1 0.03 -0.01 0.03 -0.49 2.19 Analog B1
6. 1 0.03 0.02 0.01 -0.36 2.18 Analog B2
7. 1 0.05 0.06 -0.01 -0.60 2.48 Analog C1
8. 1 0.05 0.09 -0.04 -0.47 2.47 Analog C2
9. 1 0.10 0.16 -0.06 -0.03 2.43 Analog P1
10. 1 0.20 0.20 -0.00 0.18 2.43 Analog P2
11. 1 0.20 0.18 0.02 -0.24 2.61 Analog P3
12. 1 0.40 0.37 0.03 0.13 2.94 Analog M1
13. 1 0.33 0.33 0.00 -0.12 3.00 Analog M2
14. 0 0.00 0.53 -0.53 0.26 3.36 Mutant1
15. 0 0.00 0.14 -0.14 0.07 2.31 Mutant2
16. 0 0.00 0.15 -0.15 0.04 2.34 Mutant3
N Group Alignment sequence:
1. 1 GIGKFLHSAKKFGKAFVGEIMNS
2. 1 GIHYLSHKSFSKFFCGVQKFTNS
3. 1 GIHYLSHKSFSKFFAGVQKFTNS
4. 1 GIHYLSHKSFSKFFAGVGKFTNS
5. 1 GIHYLSHKSFSKFFKGVQKFTNS
6. 1 GIHYLSHKSFSKFFKGVGKFTNS
7. 1 GIHKLSHKSFSKFFKGVQKFTNS
8. 1 GIHKLSHKSFSKFFKGVGKFTNS
9. 1 AIHNFAHKSFAKFFRAVKKFANA
10. 1 AIHNLAHKSLAKLLRAVKKLANA
11. 1 GIHNFAHKSFAKFFRAVKKFANS
12. 1 AIHNLAHKLLKKLLRAVKKLANA
13. 1 KIHKLAHKLLKKLLKAVKKLAKA
14. 0 GIGKFLHkllKklKAFVGEIMNS
15. 0 GIHYLSHkllSklFCGVQKFTNS
16. 0 GIHYLSHKllSklFAGVQKFTNS
Y=+ 0.198 X1+ 0.329 X2-0.631
95% confidence intervals for coefficients of regression
K1 K2 K0
Lower 0.115 0.268 -0.781
High 0.282 0.391 -0.481
t-test statistics for H0
5.321 11.960 9.348
P-values for H0
0.956 0.994 0.988
F-test statistic for H0 = 99.547780
P-value for H0 = 1.00000
Multiple correlation coefficient R=0.975795
Coefficient of multiple determination R-square=95.217%
Total variance of activities = 0.017141
Residual mean squares = 0.000984
63. Calculated antimicrobial activity of our mutants are:
0.53 - Mutant1
0.14 - Mutant2
0.15 - Mutant3
__________________________________________________________________
3. SEARCHING FOR ACTIVITY-MODULATING SITES IN DISINTEGRINS BY PROFILE
ANALYSIS.
1. Go to the item "File".
2. Go to the item "Protein".
3. Select file "DE1.ALI".
4. Press "Alt I" to select all proteins and press "Esc".
5. Go to the item "Prep. data".
6. Move cursor to the first position and press "Alt B".
7. Move cursor to the last position and press "Alt E".
8. Press "F10" or "Esc" to go to the main menu.
9. Go to the item "Options".
10. Go to the item "Calculation".
11. Select "Min frame". Press "Enter", type 1, press "Enter".
12. Select "Max frame". Press "Enter", type 1, press "Enter".
13. Go to the main menu (press "Esc").
14. Go to the item "Analysis".
15. Go to the item "Structure-Activity".
16. Go to the item "Profile analysis".
17. Go to the item "Alphabetical analysis".
18. Select "SADC 1D" and press "ENTER".
19. Select matrix of amino acids similarity "ONE.MAT" and press "ENTER".
20. Type "0" (threshold value) and press "ENTER".
21. Wait for a moment. The resulting profile will be shown when
calculation will be complete.
22. Press "F2" if you want to print the profile, otherwise press "Esc".
23. Go to the item "Save profile", select name of already existing file or
type new name if you want to save the profile to disk.
24. If protein 3D structure is loaded, you can map the profile on 3D
structure:
25. Go to the item "View profile on 3D".
26. Type upper threshold for low values of the profile and press "ENTER".
27. Type low threshold for high values of the profile and press "ENTER".
28. You'll get stereo picture of protein in three colors that reflects
the low, intermediate and high values of the profile (low values
are in RED, intermediate values are in YELLOW and high values
are in CYAN).
29. Positions of high values are good candidates to activity-modulating
center.
34. Output with profile to the disk:
_________________________________________________________________
Current group: SADC
Value threshold to discriminate clusters: 0.000000 Smoothing 0
Matrix of aa similarity:
matrix
Fragments: 1-45,
Min-max frame: 1-1
N Group Name sequence
1. 1 Halysin
2. 1 Trigramin beta 1
3. 1 Trigramin alpha
4. 1 Trigramin gamma
5. 1 Bitistatin
6. 1 Albolabrin
7. 1 Trigramin beta 2
8. 1 Kistrin
9. 1 Barbourin
10. 1 Elegantin
11. 1 Batroxastatin
12. 1 Triflavin
13. 1 Tergemenin
14. 1 Applagin
15. 1 Flavoridin
16. 1 Bitan alpha
N Group Aligned sequences:
1. 1 QCAEGLCCDQCRFMKKGTVCRIARGDDMDDYCNGISAGCPRNPF-
2. 1 QCGEGPCCDQCSFMKKGTICRRARGDDLDDYCNGRSAGCPRNPFH
3. 1 QCGEGLCCDQCSFIEEGTVCRIARGDDLDDYCNGRSAGCPRNPFH
4. 1 QCGEGLCCDQCSFMKKGTICRRARGDDLDDYCNGISAGCPRNPLH
5. 1 QCNHGECCDQCKFKKARTVCRIARGDWNDDYCTGKSSDCPWNH--
6. 1 QCGEGLCCDQCSFMKKGTICRRARGDDLDDYCNGISAGCPRNPLH
7. 1 QCGEGPCCDQCSFMKKGTICRRARGDDLDDYCNGRSAGCPRNPFH
8. 1 QCGEGLCCEQCKFSRAGKICRIPRGDMPDDRCTGQSADCPRYH--
9. 1 QCADGLCCDQCRFNKKGTVCRMAKGDWNDDTCTGQSADCPRNGLY
10. 1 QCADGLCCDQCRFKKKRTICRRARGDNPDDRCTGQSADCPRNGLY
11. 1 QCAEGLCCDQCRFKGAGKICRRARGDNPDDRCTGQSADCPRNRF-
12. 1 QCADGLCCDQCRFKKKRTICRIARGDFPDDRCTGQSADCPRWNGL
13. 1 QCADGLCCDQCRFNKKGTVCRMARGDWNDDTCTGQSADCPRNGLY
14. 1 QCAEGLCCDQCLFMKEGTVC-RARGDDVNDYCNGISAGCPRNPFH
15. 1 QCADGLCCDQCRFKKKTGICRIARGDFPDDRCTGLSNDCPRWNDL
16. 1 QCNHGECCDQCRFKKAGTVCRIARGDWNDDYCTGKSSDCPWNH--
Value profile:
1 2 3 4 5 6 7 8 9 10
0.000 0.000 28.538 28.113 0.000 9.961 0.000 0.000 0.000 0.000
11 12 13 14 15 16 17 18 19 20
0.000 45.270 0.000 28.975 5.946 2.857 29.393 28.941 0.074 0.000
21 22 23 24 25 26 27 28 29 30
19.607 2.676 0.000 0.024 0.000 0.000 40.306 73.580 19.607 0.000
31 32 33 34 35 36 37 38 39 40
26.959 0.000 26.568 0.000 47.810 0.000 28.123 26.568 0.000 0.000
41 42 43 44 45
0.000 27.072 41.209 35.369 34.059
__________________________________________________________________
4. INVESTIGATION OF RELATIONSHIPS BETWEEN INFLUENZA A VIRUS RESISTANCE
TO RIMANTADINE AND PHYSICO-CHEMICAL PROPERTIES OF M2 PROTEIN BY
DISCRIMINANT ANALYSIS.
1. Go to the item "File".
2. Go to the item "Property".
3. Select file "Property.ppt".
4. Press "Alt I" to select all properties and press "Esc".
5. Go to the item "Protein".
6. Select file "M2.ALI".
7. Press "Alt I" to select all proteins and press "Esc".
8. Go to the item "Prep. data".
9. Move cursor to the first protein with activity 0. Press "Ctrl Alt 2".
Switch number of group to 2 for all proteins with activity 0
by pressing "ENTER".
10. Move cursor to the first position in sequence and press "Alt B".
11. Move cursor to the last position and press "Alt E".
12. Press "F10" or "Esc" to go to the main menu.
13. Go to the item "Options".
14. Go to the item "Calculation".
15. Select "Min frame". Press "Enter", type "7", press "Enter".
16. Select "Max frame". Press "Enter", type "7", press "Enter".
17. Select "Min num. of factors". Press "Enter", type "1", press "Enter".
18. Select "Max num. of factors". Press "Enter", type "1", press "Enter".
19. Go to the main menu (by pressing "Esc").
20. Go to the item "Analysis".
21. Select "Factors definition" and press "Enter".
22. Press "Enter" to select "Fragment 1 pos. 1-97".
23. Select "Average for a fragment" and press "Enter".
24. Switch all properties to "On" (by pressing "Enter").
25. Return back to the menu item "Analysis" (by pressing "Esc").
26. Go to the item "Structure-Activity".
27. Select "Discriminant analysis" and press "ENTER".
28. Select "Automatic" and press "Enter".
29. Wait for calculation. After finishing the menu item "Analysis" will
be shown.
30. Go to the item "View last result" to see the table of results.
31. Select some result and press "F3" to view the details.
32. Press "F2" and select the name of existing file or type new
name (if you want to write this result to disk).
33. Go to the item "Save last result" (by pressing "Esc") if you want to
save the table of results.
34. Output with detail result:
_____________________________________________
Discr. analysis.
Split fragments:
Gaps - ignore.
Min-max frame: 98-98
Min-max number factors: 1-1
1) 28-34:Polarity Grantham,Average for a fragment
N Group Act Value_factors Value_Disc_function Name sequence
1. 1 1.00 7.49 1.20 PR8-34 r=1
2. 1 1.00 7.49 1.20 mon88 r
3. 1 1.00 7.49 1.20 LEN3-83 r
4. 1 1.00 7.49 1.20 MOS88 r
5. 1 1.00 7.49 1.20 MON86 r
6. 1 1.00 7.49 1.20 SVER82 r
7. 1 1.00 7.49 1.20 WS33 r
8. 1 1.00 7.59 1.90 LEN85 r
9. 1 1.00 7.49 1.20 WSN33 r
10. 1 1.00 7.59 1.90 LEN49 r
11. 1 1.00 7.24 -0.50 LEN6-83 r
12. 1 1.00 7.56 1.70 SWONT81 r
13. 1 1.00 7.56 1.70 SW29-37 r
14. 1 1.00 7.56 1.70 SWIA30 r
15. 1 1.00 7.56 1.70 SWWIS61 r
16. 1 1.00 7.24 -0.50 SWIA88 r
17. 1 1.00 7.56 1.70 WIS88 r
18. 1 1.00 7.56 1.70 SWMAR52 r
19. 1 1.00 7.56 1.70 SWMAY54 r
20. 1 1.00 7.56 1.70 SWTN77 r
21. 1 1.00 7.63 2.20 EQPR56 r
22. 2 0.00 7.24 -0.50 VIC72 s 0
23. 2 0.00 7.24 -0.50 AICHI s
24. 2 0.00 7.24 -0.50 UDORN72 s
25. 2 0.00 7.24 -0.50 PC73 s
26. 2 0.00 7.24 -0.50 SING57 s
27. 2 0.00 7.24 -0.50 AA60 s
28. 2 0.00 7.24 -0.50 KOREA68 s
29. 2 0.00 7.24 -0.50 BANG79 s
30. 2 0.00 7.24 -0.50 FW50 s
31. 2 0.00 7.24 -0.50 MEM88 s
32. 2 0.00 7.24 -0.50 USSR77 s
33. 2 0.00 7.14 -1.20 PINALB79s
34. 2 0.00 7.14 -1.20 SWHK82 s
35. 2 0.00 7.14 -1.20 SWNED85 s
36. 2 0.00 7.14 -1.20 FPVR34 s
37. 2 0.00 7.14 -1.20 MLRDNY78s
38. 2 0.00 7.14 -1.20 TYMN81 s
39. 2 0.00 7.14 -1.20 TYMN80 s
40. 2 0.00 7.14 -1.20 CKVIC85 s
41. 2 0.00 7.14 -1.20 FPVD27 s
42. 2 0.00 7.14 -1.20 DKCZ56 s
43. 2 0.00 7.14 -1.20 FPVW27 s
44. 2 0.00 7.14 -1.20 GULMA80 s
45. 2 0.00 7.14 -1.20 GULMD79 s
46. 2 0.00 7.14 -1.20 BUDHOK77s
47. 2 0.00 7.14 -1.20 EQKY86 s
48. 2 0.00 7.14 -1.20 GULMD78 s
49. 2 0.00 7.14 -1.20 CKPEN1-83s
50. 2 0.00 7.14 -1.20 EQTN86 s
51. 2 0.00 7.14 -1.20 CKPENO-83s
N Group Alignment sequence:
1. 1 IAANIIG
2. 1 IAANIIG
3. 1 IAANIIG
4. 1 IAANIIG
5. 1 IAANIIG
6. 1 IAANIIG
7. 1 IAANIIG
8. 1 VAANIIG
9. 1 IAANIIG
10. 1 VAANIIG
11. 1 VAASIIG
12. 1 AAASIIG
13. 1 AAASIIG
14. 1 AAASIIG
15. 1 AAASIIG
16. 1 AVASIIG
17. 1 AAASIIG
18. 1 AAASIIG
19. 1 AAASIIG
20. 1 AAASIIG
21. 1 AIASITG
22. 2 VAASIIG
23. 2 VAASIIG
24. 2 VAASIIG
25. 2 VAASIIG
26. 2 VAASIIG
27. 2 VAASIIG
28. 2 VAASIIG
29. 2 VAASIIG
30. 2 VAASIIG
31. 2 VAASIIG
32. 2 VAASIIG
33. 2 IAASIIG
34. 2 IAASIIG
35. 2 IAASIIG
36. 2 IAASIIG
37. 2 IAASIIG
38. 2 IAASIIG
39. 2 IAASIIG
40. 2 IAASIIG
41. 2 IAASIIG
42. 2 IAASIIG
43. 2 IAASIIG
44. 2 IAASIIG
45. 2 IAASIIG
46. 2 IAASIIG
47. 2 IAASIIG
48. 2 IAASIIG
49. 2 IAASIIG
50. 2 IAASIIG
51. 2 IAASIIG
_____Mean values______
Variables/Groups
7.506122 7.179524
Function Eigen values Ratio (%) R (Canonical correlation %) R^2
1 5.065847 100.000000 91.386135 83.514257
_______Discriminant function coefficients _______
N 0
-51.198039
7.000000
_______Standardized coefficients _______
0.510004
Structural coefficients (Pearson's correlation coefficients)
1.000000
____________ Lamda-statistic Uilks ( critical values)_
Function Uilks Chi-square Freedom 95% 99%
1 0.165 87.430 1.000 3.841 6.635
_________________________________________________
35. Output with the table of results (upper part):
Discriminant analysis.
__ Number item: 0 __
Statistic 0.164857 Sign 0.000000
Fragments: 28-34
Factors:
1):Polarity Grantham,Average for a fragment
__ Number item: 1 __
Statistic 0.189363 Sign 0.000000
Fragments: 28-34
Factors:
1):Polarity Bogardt et al.,Average for a fragment
__ Number item: 2 __
Statistic 0.191667 Sign 0.000000
Fragments: 28-34
Factors:
1):Hydropathy Kyte-Doolittle ,Average for a fragment
__ Number item: 3 __
Statistic 0.248677 Sign 0.000000
Fragments: 27-33
Factors:
1):Polarity Grantham,Average for a fragment
__ Number item: 4 __
Statistic 0.256571 Sign 0.000000
Fragments: 27-33
Factors:
1):Polarity Bogardt et al.,Average for a fragment
__ Number item: 5 __
Statistic 0.279247 Sign 0.000000
Fragments: 28-34
Factors:
1):Hydrophobicity Eisenberg,Average for a fragment
.......................
__________________________________________________________________
5. SEARCHING FOR IMPORTANT FUNCTIONAL OR STRUCTURAL 3D SITES IN
ALPHA-INTERFERONS BY PROFILE ANALYSIS.
1. Go to the item "File".
2. Go to the item "Protein".
3. Select file "IFN.ALI".
4. Press "Alt I" to select all proteins and press "Esc".
5. Go to the item "Options".
6. Go to the item "Calculation".
7. Select "Type of input atoms". Switch on "CA".
8. Select "Min frame". Press "Enter", type "1", press "Enter".
9. Select "Max frame". Press "Enter", type "1", press "Enter".
10. Select "Cutoff radius" and type "7".
11. Go to the item "File".
12. Select "3D-Structure".
13. Select file "IFN.PDB", press "Enter" and select "Complete str".
14. Go to the item "Prep. data".
15. Move cursor to the first position and press "Alt B".
16. Move cursor to the last position and press "Alt E".
17. Press "F10" or "Esc" to go to the main menu.
18. Go to the item "Analysis".
19. Go to the item "Structure-Activity".
20. Go to the item "Profile analysis".
21. Go to the item "Alphabetical analysis".
22. Select "Variation in current group 3D" and press "ENTER".
23. Select matrix of amino acids similarity "ONE.MAT" and press "ENTER".
24. Wait for a moment. The profile will be shown when calculation will
be finished.
25. Press "F2" if you want to print the profile, otherwise press "Esc".
26. Go to the item "Save profile", select the name from existing files or
type new name to save profile to disk.
27. If protein 3D structure is loaded, you can map the profile on 3D
structure:
28. Go to the item "View profile on 3D".
29. Type upper threshold for low values of the profile and press "ENTER".
30. Type low threshold for high values of the profile and press "ENTER".
31. You'll get stereo picture of protein in three colors that reflects
the low, intermediate and high values of the profile (low values
are in RED, intermediate values are in YELLOW and high values
are in CYAN).
32. 3D sites with low profile values are good candidates to
functional and/or structural important centers.
33. Output with profile result:
_________________________________________________________________
3D-Structure.
Variation in current group.
Cutoff radius 7.000000
Filter for atoms 1
Smoothing 0
Matrix of aa similarity:
matrix
Fragments: 1-164,
Min-max frame: 1-1
N Group Name sequence
1. 1 MO B pr.
2. 1 BO B-3 pr.
3. 1 BO B-2 pr.
4. 1 BO B-1 pr.
5. 1 HO B-I pr.
6. 1 HU B-1 pr.
7. 1 BO A-II-1 pr.
8. 1 HO A-II-1 pr.
9. 1 HO A-II-2 pr.
10. 1 HU A-II-1 pr.
11. 1 RA A-I-1 pr.
12. 1 MO A-I-4 pr.
13. 1 MO A-2 pr.
14. 1 MO A-I-6 pr.
15. 1 MO A-1 pr.
16. 1 MO A-I-5 pr.
17. 1 BO A-I-A pr.
18. 1 BO A-I-C pr.
19. 1 BO A-I-B pr.
20. 1 BO A-I-D pr.
21. 1 BO A-I-1 pr.
22. 1 HO A-I-1 pr.
23. 1 HO A-I-3 pr.
24. 1 HO A-I-2 pr.
25. 1 HO A-I-4 pr.
26. 1 HU A-I-8 pr.
27. 1 HU A-4 pr.
28. 1 HU A-I-16 pr.
29. 1 HU A-10 pr.
30. 1 HU A-9 pr.
31. 1 HU A-I-4B pr.
32. 1 HU A-5 pr.
33. 1 HU A-I-F pr.
34. 1 HU A-I-14 pr.
35. 1 HU A-2 pr.
36. 1 HU A-1 pr.
37. 1 HU A-I-6 pr.
N Group Aligned sequences:
1. 1 YKQLQLQERTNIRKCQELLEQLNGKI--NLTYRADFKIPMEMTEKMQ--KSYTAFAIQEM
2. 1 YSLLRFQQRRSAEVCQKLLGQLHSTPQHCLEAKMDFQVPEEMNQAQQFRKEDAILVIYEM
3. 1 YSLLRFQQRRSLALCQKLLRQLPSTPQHCLEARMDFQMPEEMKQAQQFQKEDAILVIYEM
4. 1 YSLLRFQQRQSLKECQKLLGQLPSTSQHCLEARMDFQMPEEMKQEQQFQKEDAILVMYEV
5. 1 YDLLRSQLRSSNSACLMLLRQLNGAPQRCPEDTMNFQVPEEIEQAQQFQKEDAALVIYEM
6. 1 YNLLGFLQRSSNFQCQKLLWQLNGRLEYCLKDRMNFDIPEEIKQLQQFQKEDAALTIYEM
7. 1 CDLSPNHVLVGRQNLRLLGQMRRLSPRFCLQDRKDFAFPQEMVEVSQFQEAQAISVLHEM
8. 1 CDLPASLDLRKQETLRVLHQMETISPPSCLKHRTDFRFPQEQLDGRQFPEAQATSVLQEM
9. 1 CDLPQNHILVSRKNFVLLGQMSRISSAICLKDRKDFRFPQDMADGRQFPEAQAASVLHEM
10. 1 CDLPQNHGLLSRNTLVLLHQMRRISPFLCLKDRRDFRFPQEMVKGSQLQKAHVMSVLHEM
11. 1 CDLPHTHNLRNKRVFTLLAQMRRLSPVSCLKDRKYFGFPLEKVDGQQIQKAQAIPVLHEL
12. 1 CDLPHTYNLGNKRALTVLEEMRRLPPLSCLKDRKDFGFPLEKVDNQQIQKAQAILVLRDL
13. 1 CDLPHTYNLRNKRALKVLAQMRRLPFLSCLKDRQDFGFPLEKVDNQQIQKAQAIPVLRDL
14. 1 CDLPQTHNLRNKRALTLLVKMRRLSPLSCLKDRKDFGFPQEKVGAQQIQEAQAIPVLTEL
15. 1 CDLPQTHNLRNKRALTLLVQMRRLSPLSCLKDRKDFGFPQEKVDAQQIKKAQAIPVLSEL
16. 1 CDLPQTHNLRNKRALTLLVKMRRLSPLSCLKDRKDFGFPQEKVGAQQIQEAQAIPVLSEL
17. 1 CHLPHTHSLANRRVLMLLQQLRRVSPSSCLQDRNDFEFLQEALGGSQLQKAQAISVLHEV
18. 1 CHLPHTHSLANRRVLMLLGQLRRVSPSSCLQDRNDFAFPQEALGGSQLQKAQAISVLHEV
19. 1 CHLPHTHSLPNRRVLTLLRQLRRVSPSSCLQDRNDFAFPQEALGGSQLQKAQAISVLHEV
20. 1 CHLPHSHSLAKRRVLTLLRQLRRVSPSSCLQDRNDFAFPQEALGGSQLQKAQAISVLHEV
21. 1 CHLPHSHSLAKRRVLTLLRQLRRVSPSSCLQDRNDFAFPQEALGGSQLQKAQAISVLHEV
22. 1 CDLPHTHSLGNTRVLMLLGQMRRISPFSCLKDRNDFGFPQEVFDGNQFRKPQAISAVHET
23. 1 CDLPHTHSLGNTRVLMLLGQMRRISPFSCLKDRNDFGFPQEVFDGNQFRKPQAISAVHET
24. 1 CDLPHTHSLGNTRVLMLLGQMRRISPFSCLKDRNDFGFPQEVFDGNQFRKPQAISAVHET
25. 1 CDLPHTHSLGNTRVLMLLGQMRRISPFSCLKDRNDFGFPQEVFDGNQFRKPQAISAVHET
26. 1 CDLPQTHSLGNRRALILLAQMRRISPFSCLKDRHDFEFPQEEFDDKQFQKAQAISVLHEM
27. 1 CDLPQTHSLGNRRALILLAQMRRISPFSCLKDRHDFEFPQEEFDDKQFQKAQAISVLHEM
28. 1 CDLPQTHSLGNRRALILLAQMGRISHFSCLKDRYDFGFPQEVFDGNQFQKAQAISAFHEM
29. 1 CDLPQTHSLRNRRALILLAQMGRISPFSCLKDRHEFRFPEEEFDGHQFQKTQAISVLHEM
30. 1 CDLPQTHSLGNRRALILLAQMGRISPFSCLKDRPDFGLPQEEFDGNQFQKTQAISVLHEM
31. 1 CDLPQTHSLGNRRALILLAQMGRISHFSCLKDRHDFGFPEEEFDGHQFQKTQAISVLHEM
32. 1 CDLPQTHSLGNRRALILLGQMGRISPFSCLKDRHDFRIPQEEFDGNQFQKAQAISVLHEM
33. 1 CDLPQTHSLGNRRALILLAQMGRISPFSCLKDRHDFGFPQEEFDGNQFQKAQAISVLHEM
34. 1 CNLSQTHSLNNRRTLMLMAQMRRISPFSCLKDRHDFEFPQEEFDGNQFQKAQAISVLHEM
35. 1 CDLPQTHSLGSRRTLMLLAQMRKISLFSCLKDRHDFGFPQEEF-GNQFQKAETIPVLHEM
36. 1 CDLPETHSLDNRRTLMLLAQMSRISPSSCLMDRHDFGFPQEEFDGNQFQKAPAISVLHEL
37. 1 CDLPQTHSLGHRRTMMLLAQMRRISLFSCLKDRHDFRFPQEEFDGNQFQKAEAISVLHEV
1. 1 LQNVFLVFRNNFSSTGWNETIVVRLLDELHQQTVFLKTVL-EEKQEERLTWEMSSTALHL
2. 1 LQQIFNILTRDFSSTGWSETIIEDLLVELYGQMNRLQPIQKEIMQEQNFTMGDTTV-LHL
3. 1 LQQIFNILTRDFSSTGWSETIIEDLLEELYEQMNHLEPIQKEIMQKQNSTMGDTTV-LHL
4. 1 LQHIFGILTRDFSSTGWSETIIEDLLKELYWQMNRLQPIQKEIMQKQNSTTEDTIV-PHL
5. 1 LQHTWRIFRRNFASTGWNETIVKNLLVEVHLQMDRLETNLEEIMEEESSTWGNTTI-LRL
6. 1 LQNIFAIFRQDSSSTGWNETIVENLLANVYHQINHLKTVLEEKLEKEDFTRGKLMSSLHL
7. 1 LQQSFNLFHKERSSAAWDTTLLEQLLTGLHQQLDDLDACLGLLTGEEDSALGRTGPTLAM
8. 1 LQQIVSLFHTERSSAAWNTTLLDRLLAGLHQQLEDLNTCLDEQTGEEESALGTVGPTLAV
9. 1 LQQIFSLFHTERSSAAWNTTLLDELCTGLLRQLEDLDTCLEQEMGEEESALGTVRPTLAV
10. 1 LQQIFSLFHTERSSAAWNMTLLDQLHTELHQQLQHLETCLLQVVGEGESAGAISSPALTL
11. 1 TQQILSLFTSKESSTAWDATLLDSFCNDLQQQLSGLQACLMQQVGVQESPLTQEDSLLAV
12. 1 TQQILNLFTSKDLSATWNATLLDSFCNDLHQQLNDLKACVM-----QEPPLTQEDSLLAV
13. 1 TQQTLNLFTSKASSAAWNATLLDSFCNDLHQQLNDLQTCLMQQVGVQEPPLTQEDALLAV
14. 1 TQQILTLFTSKDSSAAWNATLLDSFCNDLHQLLNDLQGCLMQQVEIQALPLTQEDSLLAV
15. 1 TQQILNIFTSKDSSAAWNATLLDSFCNDLHQQLNDLQGCLMQQVGVQEFPLTQEDALLAV
16. 1 TQQVLNIFTSKDSSAAWNATLLDSFCNEVHQQLNDLKACVMQQVGVQESPLTQEDSLLAV
17. 1 TQHTFQLFSTEGSPATWDKSLLDKLRAALDQQLTDLQACLTQEEGLRGAPLLKEDSSLAV
18. 1 TQHTFQLFSTEGSATMWDESLLDKLRDALDQQLTDLQFCLRQEEELQGAPLLKEDSSLAV
19. 1 TQHTFQLFSTEGSATTWDESLLDKLHAALDQQLTDLQACLRQEEGLRGAPLLKEGSSLAV
20. 1 TQHTFQLSSTEGSAAVWDESLLDKLRTALDQQLTDLQACLRQEEGLPGAPLLKEDSSLAV
21. 1 TQHTFQLFSTEGSAAVWDESLLDRLRTALDQQLTDLQACLRQEEGLPGAPLLKEDSSLAV
22. 1 IQQIFHLFSTDGSSAAWDESLLDKLYTGLYQQLTELEACLSQEVGVEETPLMNEDSLLAV
23. 1 IQQIFHLFSTDGSSAAWDESLLDKLYTGLYQQLTELEACLSQEVGVEETPLMNEDSLLAV
24. 1 IQQIFHLFSTDGSSAAWDESLLDKLYTGLYQQLTELEACLSQEVGVEETPLMNEDSLLAV
25. 1 IQQIFHLFSTDGSSAAWDESLLDKLYTGLYQQLTELEACLSQEVGVEETPLMNEDSLLAV
26. 1 IQQTFNLFSTKDSSAALDETLLDEFYIELDQQLNDLESCVMQEVGVIESPLMYEDSILAV
27. 1 IQQTFNLFSTKDSSAALDETLLDEFYIELDQQLNDLEVLCDQEVGVIESPLMYEDSILAV
28. 1 IQQTFNLFSTKDSSAAWDETLLDKFYIELFQQLNDLEACVTQEVGVEEIALMNEDSILAV
29. 1 IQQTFNLFSTEDSSAAWEQSLLEKFSTELYQQLNDLEACVIQEVGVEETPLMNEDFILAV
30. 1 IQQTFNLFSTEDSSAAWEQSLLEKFSTELYQQLNNLEACVIQEVGMEETPLMNEDSILAV
31. 1 IQQTFNLFSTEDSSAAWEQSLLEKFSTELYQQLNDLEACVIQEVGVEETPLMNVDSILAV
32. 1 IQQTFNLFSTEDSSAAWEQSLLEKFSTELYQQLNDLEACVIQEVGVEETPLMNEDSILAV
33. 1 IQQTFNLFSTKDSSATWEQSLLEKFSTELNQQLNDMEACVIQEVGVEETPLMNVDSILAV
34. 1 MQQTFNLFSTKNSSAAWDETLLEKFYIELFQQMNDLEACVIQEVGVEETPLMNEDSILAV
35. 1 IQQIFNLFSTKDSSAAWDETLLDKFYTELYQQLNDLEACVIQGVGVTETPLMKEDSILAV
36. 1 IQQIFNLFTTKDSSAAWDEDLLDKFCTELYQQLNDLEACVMQEERVGETPLMNADSILAV
37. 1 IQQTFNLFSTKDSSVAWDERLLDKLYTELYQQLNDLEACVMQEVWVGGTPLMNEDSILAV
1. 1 KSYYWRVQRYLKLMKYNSYAWMVVRAEIFRNFLIIRRLTRNFQN
2. 1 KKYYFNLVQYLESKEYNRCAWTVVRVQILTNFSFLMRLTASLRD
3. 1 RKYYFNLVQYLKSKEYNRCAWTVVRVQILRNFSFLTRLTGYLRE
4. 1 GKYYFNLMQYLESKEYDRCAWTVVQVQILTNVSFLMRLTGYVRD
5. 1 KKYYGRISQYLKAKKYSHCAWTVVQAEMLRNLAFLNGLTDYLQN
6. 1 KRYYGRILHYLKAKEYSHCAWTIVRVEILRNFYFINRLTGYLRN
7. 1 KRYFQGIHVYLQEKGYSDCAWEIVRLEIMRSLSSSTSLQERLRM
8. 1 KRYFRRIRLYLTEKKYSDCAWEIVRVDIMRSFSSSANLQGRLGM
9. 1 KRYFRGIHLYLKEKKYSDCAWEIVRMEIMRSFSSSANLQGRLRM
10. 1 RRYFQGIRVYLKEKKYSDCAWEVVRMEIMKSLFLSTNMQERLRS
11. 1 REYFHRITVYLRENKHSPCAWEVVKAEVWRALSSSANLMGRLRE
12. 1 RTYFHRITVYLRKKKHSLCAWEVIRAEVWRALSSSTNLLARLSE
13. 1 RKYFHRITVYLREKKHSPCAWEVVRAEVWRALSSSVNLLPRLSE
14. 1 RTYFHRITVFLREKKHSPCAWEVVRAEVWRALSSSAKLLARLNE
15. 1 RKYFHRITVYLREKKHSPCAWEVVRAEVWRALSSSANVLGRLRE
16. 1 RKYFHRITVYLREKKHSPCAWEVVRAEVWRALSSSVNLLARLSK
17. 1 RKYFHRLTLYLQEKRHSPCAWEVVRAEVMRAFSSSTNLQESFRR
18. 1 RKYFHRLTLYLQEKRHSPCAWEVVRAQVMRAFSSSTNLQESFRR
19. 1 RKYFHRLTLYLQEKRHSPCAWEVVRAEVMRAFSSSTNLQEKFRR
20. 1 RKYFHRLTLYLQEKRHSPCAWEVVRAQVMRAFSSSTNLQERFRR
21. 1 RKYFHRLTLYLQEKRHSPCAWEVVRAQVMRAFSSSTNLQERFRR
22. 1 RRYFQRIALYLQEKKYSPCAWEIVRAEIMRSFSSSTNLPQS---
23. 1 RRYFQRIALYLQEKKYSPCAWEIVRAEIMRSFSSSTNLPQS---
24. 1 RRYFQRIALYLQEKKYSPCAWEIVRAEIMRCFSSSTNLQQS---
25. 1 RRYFQRITLYLQEKKYSPCAWEIVRAEIMRSFSSSTNLPQS---
26. 1 RKYFQRITLYLTEKKYSSCAWEVVRAEIMRSFSLSINLQKRLKS
27. 1 RKYFQRITLYLTEKKYSSCAWEVVRAEIMRSFSLSINLQKRLKS
28. 1 RKYFQRITLYLMGKKYSPCAWEVVRAEIMRSFSFSTNLQKGLRR
29. 1 RKYFQRITLYLMEKKYSPCAWEVVRAEIMRSFSFSTNLKKGLRR
30. 1 RKYFQRITLYLTEKKYSPCAWEVVRAEIMRSLSFSTNLQKILRR
31. 1 RKYFQRITLYLTEKKYSPCAWEVVRAEIMRSLSFSTNLQKRLRR
32. 1 RKYFQRITLYLIERKYSPCAWEVVRAEIMRSLSFSTNLQKRLRR
33. 1 KKYFQRITLYLTEKKYSPCAWEVVRAEIMRSFSLSKIFQERLRR
34. 1 KKYFQRITLYLMEKKYSPCAWEVVRAEIMRSLSFSTNLQKRLRR
35. 1 RKYFQRITLYLKEKKYSPCAWEVVRAEIMRSFSLSTNLQESLRS
36. 1 KKYFRRITLYLTEKKYSPCAWEVVRAEIMRSLSLSTNLQERLRR
37. 1 RKYFQRITLYLTEKKYSPCAWEVVRAEIMRSFSSSRNLQERLRR
Value profile:
1 2 3 4 5 6 7 8 9 10
76.543 49.632 75.529 67.057 75.529 77.232 66.241 65.439 84.393 84.393
11 12 13 14 15 16 17 18 19 20
89.610 84.393 84.393 85.220 91.499 83.581 84.393 93.473 88.246 88.246
21 22 23 24 25 26 27 28 29 30
89.610 91.019 77.933 84.393 78.287 78.287 69.314 55.326 33.775 51.321
31 32 33 34 35 36 37 38 39 40
52.484 40.683 86.923 85.639 74.213 87.360 88.246 74.213 68.454 85.639
41 42 43 44 45 46 47 48 49 50
72.622 77.581 70.191 81.615 73.251 70.191 65.175 71.694 79.368 65.439
51 52 53 54 55 56 57 58 59 60
88.246 84.804 75.529 75.864 89.610 79.005 81.615 83.985 80.477 81.615
61 62 63 64 65 66 67 68 69 70
81.615 79.005 79.005 80.477 86.923 74.538 75.864 74.538 80.105 80.853
71 72 73 74 75 76 77 78 79 80
80.477 78.287 70.488 77.581 41.898 41.898 77.933 74.538 76.202 79.005
81 82 83 84 85 86 87 88 89 90
86.063 86.063 84.393 86.491 86.491 90.075 90.075 91.019 91.019 90.544
91 92 93 94 95 96 97 98 99 100
86.491 83.181 84.393 86.063 83.581 83.581 88.246 80.105 82.784 86.491
101 102 103 104 105 106 107 108 109 110
86.063 82.391 86.923 88.696 69.605 75.864 75.529 80.477 66.241 74.866
111 112 113 114 115 116 117 118 119 120
73.569 79.368 76.886 84.393 84.393 84.393 83.581 83.181 79.368 77.933
121 122 123 124 125 126 127 128 129 130
74.866 70.488 87.360 76.202 76.202 76.886 71.694 83.181 83.181 84.393
131 132 133 134 135 136 137 138 139 140
82.001 80.105 77.581 76.886 51.321 63.119 59.048 52.879 69.897 65.704
141 142 143 144 145 146 147 148 149 150
35.336 67.333 59.048 65.175 70.488 70.786 71.694 72.622 71.390 82.001
151 152 153 154 155 156 157 158 159 160
83.581 88.246 87.801 88.246 88.696 91.019 94.495 94.495 96.075 95.015
161 162 163 164
94.495 94.495 94.495 91.499
__________________________________________________________________
6. SEARCHING FOR PATTERNS IN COMBINATORIAL PEPTIDE LIBRARY.
1. Go to the item "File".
2. Go to the item "Protein".
3. Select file "LIBRARY.ALI".
4. Press "Alt I" to select all peptides and press "Esc".
5. Go to the item "Options".
6. Select "Sequence display mode" and switch to "sequence".
7. Go to the item "Calculation".
8. Select "Min frame". Press "Enter", type "3", press "Enter".
9. Select "Max frame". Press "Enter", type "4", press "Enter".
10. Go to the item "Prep. data".
11. Move cursor to the first position and press "Alt B".
12. Move cursor to the last position and press "Alt E".
13. Press "F10" or "Esc" to go to the main menu.
14. Go to the item "Analysis".
15. Select "Motifs search".
16. Select matrix of amino acids similarity "ONE.MAT", press "ENTER",
type 25 as maximal % of acceptable mismatches.
17. Wait for calculation finishing.
18. Go to the item "Save last result", select the name of existing
file or type new name if you want to save patterns to disk.
19. Go to the item "View last result" to see the table of patterns.
20. Select any pattern (the first, for example) and press "ENTER" to map
the pattern on the sequences.
21. Go to the item "Prep. data" to view the pattern on the sequences.
Selected pattern is marked in RED.
22. To sort the sequences by presence of the pattern press "Alt S" and
select item "SORT BY MOTIF".
23. To change the font to display pattern press "F8". You'll get the
following result:
Name Act Grp Line 1 Col 1
CLONE 8819,58 1.000 1 lnDmSNhipspltlp
CLONE 8893 1.000 1 lnDmSNhipspltlp
CLONE 8833 1.000 1 lvDlSNsqsppalls
CLONE 8875 1.000 1 lvDaSNmsnpvllla
CLONE 8855,91 1.000 1 lvDvSNttmqlssvn
CLONE 8884 1.000 1 lvDlSNrpvapnllg
CLONE 8832 1.000 1 ltDlSNvtarnwtvs
CLONE 8894 1.000 1 ltDkSNvphvwpypa
CLONE 8861 1.000 1 ldDySNvprttqslp
CLONE 8810,35 1.000 1 tiDmSNvyttptfps
CLONE 8827,48 1.000 1 fdDwSNkspaslppt
CLONE 8888 1.000 1 fvDlSNnvyssespn
CLONE 8843 1.000 1 itDlSNmllpsppps
CLONE 8845 1.000 1 itDlSNviapdtpky
CLONE 8812 1.000 1 vnDmSNhipspltlp
CLONE 8851,28,69 1.000 1 lqDnSNhlipsvppl
CLONE 8841 1.000 1 fhthnmtDiSNrlps
CLONE 8842 1.000 1 lsDqSNrpqftnlmr
CLONE 8873 1.000 1 rvreedapnlslspi
24. The library can be further divided into subgroups with different
patterns by changing group number for sequences with identified
pattern (press "Cntl-Alt-2" to change the active group number to "2"
and "Enter" to change the sequence group number) combined with sorting by
group number.
25. Press "F9" if you want to clear the pattern.
26. Listing of the patterns saved to disk (see item #18):
_________________________________________________________________
Search motifs.
Number item Length of peptide Frequency Sequence
1 4 18 D-SN
2 4 7 PD-P
3 4 6 S-PP
4 4 6 DLSN
5 4 6 P-PP
6 4 6 P-GQ
7 4 6 GQ-P
8 3 6 DLS
9 3 6 LSN
10 3 6 PDP
11 4 5 VD-S
12 4 5 TD-S
13 4 5 P-PL
14 4 5 SQ-P
15 4 5 P-LL
16 4 5 S-VP
17 3 5 MSN
18 3 5 SNV
19 3 5 SLP
20 3 5 QTP
21 4 4 DMSN
22 4 4 S-SP
23 4 4 SE-P
24 4 4 T-LS
25 4 4 PS-P
__________________________________________________________________
Sequences with the main motif D-SN
7. PROFILES OF PHYSICO-CHEMICAL PROPERTIES (EXAMPLE WITH HOPP-WOODS
HYDROPHILICITY).
1. Go to the item "File".
2. Go to the item "Property".
3. Select file "Property.ppt".
4. Press "Alt I" to select all properties and press "Esc".
5. Go to the item "Protein".
6. Select file "IFN.ALI".
7. Press "Alt I" to select all proteins and press "Esc".
8. Go to the item "Prep. data".
9. Move cursor to the first position and press "Alt B".
10. Move cursor to the last position and press "Alt E".
11. Press "F10" or "Esc" to go to the main menu.
12. Go to the item "Options".
13. Go to the item "Calculation".
14. Select "Min frame". Press "Enter", type "7", press "Enter".
15. Select "Max frame". Press "Enter", type "7", press "Enter".
18. Go to the main menu (by pressing "Esc").
19. Go to the item "Analysis".
20. Select "Factors definition" and press "Enter".
21. Press "Enter" to select "Fragment 1 pos. 1-172.
22. Select "Average for a fragment" and press "Enter".
23. Switch property "Hydrophilicity Hopp-Woods" to "On" (by pressing "Enter")
24. Switch all other properties to "Off" (by pressing "Enter").
26. Return back to the menu item "Analysis" (by pressing "Esc").
27. Go to the item "Profile analysis".
28. Select "Phys-chem profiles".
29. Select "Average profile".
21. Wait for calculation. After finishing the calculated profile
will be shown.
22. Press "F2" if you want to print the profile.
23. Go to the item "Save profile", select the name of existing file or
type new name if you want to save the profile to disk.
24. If protein 3D structure is loaded, you can map the profile on 3D
structure:
25. Go to the item "View profile on 3D".
26. Type upper threshold for low values of the profile and press "ENTER".
27. Type low threshold for high values of the profile and press "ENTER".
28. You'll get stereo picture of protein in three colors that reflects
the low, intermediate and high values of the profile (low values
are in RED, intermediate values are in YELLOW and high values
are in CYAN).
29. Sites with high profile values are possible surface regions.
30. Profile result:
_____________________________________________
Average profile for fragment: 1-172
Min-max frame: 7-7
Function: Average for a fragment
Property: Hydrophilicity Hopp-Woods
Name sequence:
1. MO B pr.
2. BO B-3 pr.
3. BO B-2 pr.
4. BO B-1 pr.
5. HO B-I pr.
6. HU B-1 pr.
7. BO A-II-1 pr.
8. HO A-II-1 pr.
9. HO A-II-2 pr.
10. HU A-II-1 pr.
11. RA A-I-1 pr.
12. MO A-I-4 pr.
13. MO A-2 pr.
14. MO A-I-6 pr.
15. MO A-1 pr.
16. MO A-I-5 pr.
17. BO A-I-A pr.
18. BO A-I-C pr.
19. BO A-I-B pr.
20. BO A-I-D pr.
21. BO A-I-1 pr.
22. HO A-I-1 pr.
23. HO A-I-3 pr.
24. HO A-I-2 pr.
25. HO A-I-4 pr.
26. HU A-I-8 pr.
27. HU A-4 pr.
28. HU A-I-16 pr.
29. HU A-10 pr.
30. HU A-9 pr.
31. HU A-I-4B pr.
32. HU A-5 pr.
33. HU A-I-F pr.
34. HU A-I-14 pr.
35. HU A-2 pr.
36. HU A-1 pr.
37. HU A-I-6 pr.
Aligned sequences:
1. YKQLQLQERTNIRKCQELLEQLNGKI--NLTYRADFKIPMEMTEKMQ--KSYTAFAIQEM
2. YSLLRFQQRRSAEVCQKLLGQLHSTPQHCLEAKMDFQVPEEMNQAQQFRKEDAILVIYEM
3. YSLLRFQQRRSLALCQKLLRQLPSTPQHCLEARMDFQMPEEMKQAQQFQKEDAILVIYEM
4. YSLLRFQQRQSLKECQKLLGQLPSTSQHCLEARMDFQMPEEMKQEQQFQKEDAILVMYEV
5. YDLLRSQLRSSNSACLMLLRQLNGAPQRCPEDTMNFQVPEEIEQAQQFQKEDAALVIYEM
6. YNLLGFLQRSSNFQCQKLLWQLNGRLEYCLKDRMNFDIPEEIKQLQQFQKEDAALTIYEM
7. CDLSPNHVLVGRQNLRLLGQMRRLSPRFCLQDRKDFAFPQEMVEVSQFQEAQAISVLHEM
8. CDLPASLDLRKQETLRVLHQMETISPPSCLKHRTDFRFPQEQLDGRQFPEAQATSVLQEM
9. CDLPQNHILVSRKNFVLLGQMSRISSAICLKDRKDFRFPQDMADGRQFPEAQAASVLHEM
10. CDLPQNHGLLSRNTLVLLHQMRRISPFLCLKDRRDFRFPQEMVKGSQLQKAHVMSVLHEM
11. CDLPHTHNLRNKRVFTLLAQMRRLSPVSCLKDRKYFGFPLEKVDGQQIQKAQAIPVLHEL
12. CDLPHTYNLGNKRALTVLEEMRRLPPLSCLKDRKDFGFPLEKVDNQQIQKAQAILVLRDL
13. CDLPHTYNLRNKRALKVLAQMRRLPFLSCLKDRQDFGFPLEKVDNQQIQKAQAIPVLRDL
14. CDLPQTHNLRNKRALTLLVKMRRLSPLSCLKDRKDFGFPQEKVGAQQIQEAQAIPVLTEL
15. CDLPQTHNLRNKRALTLLVQMRRLSPLSCLKDRKDFGFPQEKVDAQQIKKAQAIPVLSEL
16. CDLPQTHNLRNKRALTLLVKMRRLSPLSCLKDRKDFGFPQEKVGAQQIQEAQAIPVLSEL
17. CHLPHTHSLANRRVLMLLQQLRRVSPSSCLQDRNDFEFLQEALGGSQLQKAQAISVLHEV
18. CHLPHTHSLANRRVLMLLGQLRRVSPSSCLQDRNDFAFPQEALGGSQLQKAQAISVLHEV
19. CHLPHTHSLPNRRVLTLLRQLRRVSPSSCLQDRNDFAFPQEALGGSQLQKAQAISVLHEV
20. CHLPHSHSLAKRRVLTLLRQLRRVSPSSCLQDRNDFAFPQEALGGSQLQKAQAISVLHEV
21. CHLPHSHSLAKRRVLTLLRQLRRVSPSSCLQDRNDFAFPQEALGGSQLQKAQAISVLHEV
22. CDLPHTHSLGNTRVLMLLGQMRRISPFSCLKDRNDFGFPQEVFDGNQFRKPQAISAVHET
23. CDLPHTHSLGNTRVLMLLGQMRRISPFSCLKDRNDFGFPQEVFDGNQFRKPQAISAVHET
24. CDLPHTHSLGNTRVLMLLGQMRRISPFSCLKDRNDFGFPQEVFDGNQFRKPQAISAVHET
25. CDLPHTHSLGNTRVLMLLGQMRRISPFSCLKDRNDFGFPQEVFDGNQFRKPQAISAVHET
26. CDLPQTHSLGNRRALILLAQMRRISPFSCLKDRHDFEFPQEEFDDKQFQKAQAISVLHEM
27. CDLPQTHSLGNRRALILLAQMRRISPFSCLKDRHDFEFPQEEFDDKQFQKAQAISVLHEM
28. CDLPQTHSLGNRRALILLAQMGRISHFSCLKDRYDFGFPQEVFDGNQFQKAQAISAFHEM
29. CDLPQTHSLRNRRALILLAQMGRISPFSCLKDRHEFRFPEEEFDGHQFQKTQAISVLHEM
30. CDLPQTHSLGNRRALILLAQMGRISPFSCLKDRPDFGLPQEEFDGNQFQKTQAISVLHEM
31. CDLPQTHSLGNRRALILLAQMGRISHFSCLKDRHDFGFPEEEFDGHQFQKTQAISVLHEM
32. CDLPQTHSLGNRRALILLGQMGRISPFSCLKDRHDFRIPQEEFDGNQFQKAQAISVLHEM
33. CDLPQTHSLGNRRALILLAQMGRISPFSCLKDRHDFGFPQEEFDGNQFQKAQAISVLHEM
34. CNLSQTHSLNNRRTLMLMAQMRRISPFSCLKDRHDFEFPQEEFDGNQFQKAQAISVLHEM
35. CDLPQTHSLGSRRTLMLLAQMRKISLFSCLKDRHDFGFPQEEF-GNQFQKAETIPVLHEM
36. CDLPETHSLDNRRTLMLLAQMSRISPSSCLMDRHDFGFPQEEFDGNQFQKAPAISVLHEL
37. CDLPQTHSLGHRRTMMLLAQMRRISLFSCLKDRHDFRFPQEEFDGNQFQKAEAISVLHEV
1. LQNVFLVFRNNFSSTGWNETIVVRLLDELHQQTVFLKTVL-EEKQEERLTWEMSSTALHL
2. LQQIFNILTRDFSSTGWSETIIEDLLVELYGQMNRLQPIQKEIMQEQNFTMGDTTV-LHL
3. LQQIFNILTRDFSSTGWSETIIEDLLEELYEQMNHLEPIQKEIMQKQNSTMGDTTV-LHL
4. LQHIFGILTRDFSSTGWSETIIEDLLKELYWQMNRLQPIQKEIMQKQNSTTEDTIV-PHL
5. LQHTWRIFRRNFASTGWNETIVKNLLVEVHLQMDRLETNLEEIMEEESSTWGNTTI-LRL
6. LQNIFAIFRQDSSSTGWNETIVENLLANVYHQINHLKTVLEEKLEKEDFTRGKLMSSLHL
7. LQQSFNLFHKERSSAAWDTTLLEQLLTGLHQQLDDLDACLGLLTGEEDSALGRTGPTLAM
8. LQQIVSLFHTERSSAAWNTTLLDRLLAGLHQQLEDLNTCLDEQTGEEESALGTVGPTLAV
9. LQQIFSLFHTERSSAAWNTTLLDELCTGLLRQLEDLDTCLEQEMGEEESALGTVRPTLAV
10. LQQIFSLFHTERSSAAWNMTLLDQLHTELHQQLQHLETCLLQVVGEGESAGAISSPALTL
11. TQQILSLFTSKESSTAWDATLLDSFCNDLQQQLSGLQACLMQQVGVQESPLTQEDSLLAV
12. TQQILNLFTSKDLSATWNATLLDSFCNDLHQQLNDLKACVM-----QEPPLTQEDSLLAV
13. TQQTLNLFTSKASSAAWNATLLDSFCNDLHQQLNDLQTCLMQQVGVQEPPLTQEDALLAV
14. TQQILTLFTSKDSSAAWNATLLDSFCNDLHQLLNDLQGCLMQQVEIQALPLTQEDSLLAV
15. TQQILNIFTSKDSSAAWNATLLDSFCNDLHQQLNDLQGCLMQQVGVQEFPLTQEDALLAV
16. TQQVLNIFTSKDSSAAWNATLLDSFCNEVHQQLNDLKACVMQQVGVQESPLTQEDSLLAV
17. TQHTFQLFSTEGSPATWDKSLLDKLRAALDQQLTDLQACLTQEEGLRGAPLLKEDSSLAV
18. TQHTFQLFSTEGSATMWDESLLDKLRDALDQQLTDLQFCLRQEEELQGAPLLKEDSSLAV
19. TQHTFQLFSTEGSATTWDESLLDKLHAALDQQLTDLQACLRQEEGLRGAPLLKEGSSLAV
20. TQHTFQLSSTEGSAAVWDESLLDKLRTALDQQLTDLQACLRQEEGLPGAPLLKEDSSLAV
21. TQHTFQLFSTEGSAAVWDESLLDRLRTALDQQLTDLQACLRQEEGLPGAPLLKEDSSLAV
22. IQQIFHLFSTDGSSAAWDESLLDKLYTGLYQQLTELEACLSQEVGVEETPLMNEDSLLAV
23. IQQIFHLFSTDGSSAAWDESLLDKLYTGLYQQLTELEACLSQEVGVEETPLMNEDSLLAV
24. IQQIFHLFSTDGSSAAWDESLLDKLYTGLYQQLTELEACLSQEVGVEETPLMNEDSLLAV
25. IQQIFHLFSTDGSSAAWDESLLDKLYTGLYQQLTELEACLSQEVGVEETPLMNEDSLLAV
26. IQQTFNLFSTKDSSAALDETLLDEFYIELDQQLNDLESCVMQEVGVIESPLMYEDSILAV
27. IQQTFNLFSTKDSSAALDETLLDEFYIELDQQLNDLEVLCDQEVGVIESPLMYEDSILAV
28. IQQTFNLFSTKDSSAAWDETLLDKFYIELFQQLNDLEACVTQEVGVEEIALMNEDSILAV
29. IQQTFNLFSTEDSSAAWEQSLLEKFSTELYQQLNDLEACVIQEVGVEETPLMNEDFILAV
30. IQQTFNLFSTEDSSAAWEQSLLEKFSTELYQQLNNLEACVIQEVGMEETPLMNEDSILAV
31. IQQTFNLFSTEDSSAAWEQSLLEKFSTELYQQLNDLEACVIQEVGVEETPLMNVDSILAV
32. IQQTFNLFSTEDSSAAWEQSLLEKFSTELYQQLNDLEACVIQEVGVEETPLMNEDSILAV
33. IQQTFNLFSTKDSSATWEQSLLEKFSTELNQQLNDMEACVIQEVGVEETPLMNVDSILAV
34. MQQTFNLFSTKNSSAAWDETLLEKFYIELFQQMNDLEACVIQEVGVEETPLMNEDSILAV
35. IQQIFNLFSTKDSSAAWDETLLDKFYTELYQQLNDLEACVIQGVGVTETPLMKEDSILAV
36. IQQIFNLFTTKDSSAAWDEDLLDKFCTELYQQLNDLEACVMQEERVGETPLMNADSILAV
37. IQQTFNLFSTKDSSVAWDERLLDKLYTELYQQLNDLEACVMQEVWVGGTPLMNEDSILAV
1. KSYYWRVQRYLKLMKYNSYAWMVVRAEIFRNFLIIRRLTRNFQN--------
2. KKYYFNLVQYLESKEYNRCAWTVVRVQILTNFSFLMRLTASLRD--------
3. RKYYFNLVQYLKSKEYNRCAWTVVRVQILRNFSFLTRLTGYLRE--------
4. GKYYFNLMQYLESKEYDRCAWTVVQVQILTNVSFLMRLTGYVRD--------
5. KKYYGRISQYLKAKKYSHCAWTVVQAEMLRNLAFLNGLTDYLQN--------
6. KRYYGRILHYLKAKEYSHCAWTIVRVEILRNFYFINRLTGYLRN--------
7. KRYFQGIHVYLQEKGYSDCAWEIVRLEIMRSLSSSTSLQERLRMMDGDLKSP
8. KRYFRRIRLYLTEKKYSDCAWEIVRVDIMRSFSSSANLQGRLGMKDGDLGSP
9. KRYFRGIHLYLKEKKYSDCAWEIVRMEIMRSFSSSANLQGRLRMKDGDLGSP
10. RRYFQGIRVYLKEKKYSDCAWEVVRMEIMKSLFLSTNMQERLRSKDRDLGSS
11. REYFHRITVYLRENKHSPCAWEVVKAEVWRALSSSANLMGRLREERNES---
12. RTYFHRITVYLRKKKHSLCAWEVIRAEVWRALSSSTNLLARLSEEKE-----
13. RKYFHRITVYLREKKHSPCAWEVVRAEVWRALSSSVNLLPRLSEEKE-----
14. RTYFHRITVFLREKKHSPCAWEVVRAEVWRALSSSAKLLARLNEDE------
15. RKYFHRITVYLREKKHSPCAWEVVRAEVWRALSSSANVLGRLREEK------
16. RKYFHRITVYLREKKHSPCAWEVVRAEVWRALSSSVNLLARLSKEE------
17. RKYFHRLTLYLQEKRHSPCAWEVVRAEVMRAFSSSTNLQESFRRKD------
18. RKYFHRLTLYLQEKRHSPCAWEVVRAQVMRAFSSSTNLQESFRRKD------
19. RKYFHRLTLYLQEKRHSPCAWEVVRAEVMRAFSSSTNLQEKFRRKD------
20. RKYFHRLTLYLQEKRHSPCAWEVVRAQVMRAFSSSTNLQERFRRKD------
21. RKYFHRLTLYLQEKRHSPCAWEVVRAQVMRAFSSSTNLQERFRRKD------
22. RRYFQRIALYLQEKKYSPCAWEIVRAEIMRSFSSSTNLPQS-----------
23. RRYFQRIALYLQEKKYSPCAWEIVRAEIMRSFSSSTNLPQS-----------
24. RRYFQRIALYLQEKKYSPCAWEIVRAEIMRCFSSSTNLQQS-----------
25. RRYFQRITLYLQEKKYSPCAWEIVRAEIMRSFSSSTNLPQS-----------
26. RKYFQRITLYLTEKKYSSCAWEVVRAEIMRSFSLSINLQKRLKSKE------
27. RKYFQRITLYLTEKKYSSCAWEVVRAEIMRSFSLSINLQKRLKSKE------
28. RKYFQRITLYLMGKKYSPCAWEVVRAEIMRSFSFSTNLQKGLRRKD------
29. RKYFQRITLYLMEKKYSPCAWEVVRAEIMRSFSFSTNLKKGLRRKD------
30. RKYFQRITLYLTEKKYSPCAWEVVRAEIMRSLSFSTNLQKILRRKD------
31. RKYFQRITLYLTEKKYSPCAWEVVRAEIMRSLSFSTNLQKRLRRKD------
32. RKYFQRITLYLIERKYSPCAWEVVRAEIMRSLSFSTNLQKRLRRKD------
33. KKYFQRITLYLTEKKYSPCAWEVVRAEIMRSFSLSKIFQERLRRKE------
34. KKYFQRITLYLMEKKYSPCAWEVVRAEIMRSLSFSTNLQKRLRRKD------
35. RKYFQRITLYLKEKKYSPCAWEVVRAEIMRSFSLSTNLQESLRSKE------
36. KKYFRRITLYLTEKKYSPCAWEVVRAEIMRSLSLSTNLQERLRRKE------
37. RKYFQRITLYLTEKKYSPCAWEVVRAEIMRSFSSSRNLQERLRRKE------
Value profile:
1 2 3 4 5 6 7 8 9 10
-0.267 -0.058 -0.512 -0.171 -0.071 0.158 0.597 0.597 0.319 0.367
11 12 13 14 15 16 17 18 19 20
0.116 -0.200 -0.515 -0.799 -0.878 -0.409 0.036 -0.012 0.294 0.296
21 22 23 24 25 26 27 28 29 30
0.054 0.220 -0.142 -0.742 -0.202 0.093 0.555 0.763 1.145 0.926
31 32 33 34 35 36 37 38 39 40
1.309 0.646 0.285 -0.056 0.329 0.053 0.211 0.361 0.716 0.786
41 42 43 44 45 46 47 48 49 50
0.740 -0.006 -0.021 0.615 0.336 0.396 0.259 -0.000 0.290 0.013
51 52 53 54 55 56 57 58 59 60
-0.669 -0.744 -0.407 -0.523 -0.489 -0.437 -0.240 -0.142 -0.415 -0.827
61 62 63 64 65 66 67 68 69 70
-0.892 -1.035 -1.029 -1.009 -0.447 0.077 0.092 0.377 0.644 0.540
71 72 73 74 75 76 77 78 79 80
0.037 -0.092 -0.037 -0.062 -0.349 -0.531 -0.050 0.746 0.164 -0.200
81 82 83 84 85 86 87 88 89 90
-0.229 0.297 0.297 -0.210 -0.508 -0.184 -0.299 -0.232 -0.157 -0.158
91 92 93 94 95 96 97 98 99 100
0.237 0.144 -0.031 -0.005 -0.013 -0.260 0.228 -0.157 -0.048 0.061
101 102 103 104 105 106 107 108 109 110
0.509 0.803 0.627 0.370 0.204 0.051 0.202 0.230 0.225 0.282
111 112 113 114 115 116 117 118 119 120
0.143 0.128 0.173 -0.169 0.014 0.117 -0.203 -0.402 -0.167 0.252
121 122 123 124 125 126 127 128 129 130
0.218 -0.244 -0.830 -0.831 -0.735 -0.573 -0.594 0.063 0.525 0.467
131 132 133 134 135 136 137 138 139 140
0.848 1.179 0.884 0.473 -0.414 -0.485 -0.456 -0.724 -0.391 -0.345
141 142 143 144 145 146 147 148 149 150
0.090 0.334 -0.261 0.364 0.581 -0.141 -0.028 -0.525 -0.288 -0.081
151 152 153 154 155 156 157 158 159 160
-0.398 -0.656 -0.362 -0.134 0.210 -0.033 0.313 0.478 1.060 1.410
161 162 163 164 165 166 167 168 169 170
1.357 1.548 2.407 2.389 2.683 2.633 0.000 0.000 0.000 0.000
171 172
0.000 0.000
__________________________________________________________________