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PROGRAF.PPT
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Properties of amino acids ACDEFGHIKLMNPQRSTVWY-
Structure of file:
Comments (begins from blank)
{ Property names (from 1-st position of string)
Literature source (from 1-st position of string)
Values of amino acid properties }
Trans Free energy of transfer to surface
Bull & Breese, Arch. Biophys. Biochem. 161, 665 (1974)
610 360 610 510 -1520 810 690 -1450 460 -1650
-660 890 -170 970 690 420 290 -750 -1200 -1430
AccSA Average accessibility surface area
Janin et al., J. Mol. Biol. 125, 357 (1978)
27.8 15.5 60.6 68.2 25.5 24.5 50.7 22.8 103 27.6
33.5 60.1 51.5 68.7 94.7 42 45 23.7 34.7 55.2
Bur Percentage of buried residues
Janin et al., J. Mol. Biol. 125, 357 (1978)
51 74 19 16 58 52 34 66 3 60
52 22 25 16 5 35 30 64 49 24
Exp Percentage of exposed residues
Janin et al., J. Mol. Biol. 125, 357 (1978)
15 5 50 55 10 10 34 13 85 16
20 49 45 56 67 32 32 14 17 41
HphoX Hydrophobic index
Ponnuswamy et al., Biochim. Biophys. Acta 623, 301 (1980)
.87 1.52 .66 .67 2.87 .1 .8 3.15 1.64 2.17
1.67 0.09 2.77 0 .85 .07 .07 1.87 3.77 2.67
HphFl Hydrophobicity in folded form
Ponnuswamy et al., BBA 623, 301 (1980)
12.28 14.93 10.97 11.19 13.43 12.01 12.84 14.77 10.8 14.1
14.33 11 11.19 11.28 11.49 11.26 11.65 15.07 12.95 13.29
HphUf Hydrophobicity in unfolded form
Ponnuswamy et al., BBA 623, 301 (1980)
4.66 4 4.79 4.81 4.44 4.7 4.99 4.78 5.08 4.73
4.5 4.87 4.55 4.61 4.68 4.33 4.75 4.69 4.54 4.76
HphGn Hydrophobicity gain
Ponnuswamy et al., BBA 623, 301 (1980)
2.63 3.36 2.29 2.31 3.02 2.55 2.57 3.08 2.12 2.98
3.18 2.27 2.41 2.45 2.45 2.6 2.55 3.21 2.85 2.79
Polar Polarity
Ponnuswamy et al., Biochim. Biophys. Acta 623, 301 (1980)
0 1.48 40.7 49.9 .35 0 51.61 .15 49.5 .45
1.43 3.38 1.58 3.53 52 1.67 1.66 .13 2.1 1.61
HphAH Surrounding hydrophobicity in a-helix
Ponnuswamy et al., BBA 623, 301 (1980)
13.65 14.49 10.98 12.55 14.08 15.36 11.59 14.63 11.96 14.01
13.4 12.24 11.51 11.3 11.28 11.26 13 12.88 12.06 12.64
HphBS Surrounding hydrophobicity in b-sheet
Ponnuswamy et al. BBA 623, 301 (1980)
14.6 15.9 13.78 13.59 14.18 14.18 15.35 14.1 13.28 16.49
16.23 11.79 14.1 12.02 13.24 13.36 14.5 16.3 13.9 14.76
HphBT Surrounding hydrophobicity in b-turn
Ponnuswamy et al., BBA 623, 301 (1980)
10.67 14.15 10.21 11.71 13.27 10.95 12.07 12.95 9.93 13.07
15 10.85 10.62 11.71 11.05 11.18 10.53 13.86 11.41 11.52
AccRd Accessibility reduction ratio
Ponnuswamy et al., BBA 623, 301 (1980)
3.7 3.03 2.6 3.3 6.6 3.13 3.57 7.69 1.79 5.88
5.21 2.12 2.12 2.7 2.53 2.43 2.6 7.14 6.25 3.03
SurRe Average number of surrounding residues
Ponnuswamy BBA 623, 301 (1980)
6.05 7.86 4.95 5.1 6.62 6.16 5.8 7.51 4.88 7.37
6.39 5.04 5.65 5.45 5.7 5.53 5.81 7.62 6.98 6.73
Volum Volume
Chothia, Nature 254, 304 (1975)
91.5 118 124.5 155.1 203.4 66.4 167.3 168.8 171.3 167.9
170.8 135.2 129.3 161.1 202 99.1 122.1 141.7 237.6 203.6
Flexi Flexibility
Bhaskaran and Ponnuswamy (1988)
.357 .346 .511 .497 .314 .544 .323 .462 .466 .365
.295 .463 .509 .493 .529 .507 .444 .386 .305 .42
Fx0RN Flexibility for no rigid neighbours
Karplus & Schulz, Naturwiss. 72, 212 (1985)
1.041 .96 1.033 1.094 .93 1.142 .982 1.002 1.093 .967
.947 1.117 1.055 1.165 1.038 1.169 1.073 .982 .925 .961
Fx1RN Flexibility for one rigid neighbour
Karplus & Schulz, Naturwiss. 72, 212 (1985)
.946 .878 1.089 1.036 .912 1.042 .952 .892 1.0827 .961
.862 1.006 1.085 1.028 1.028 1.048 1.051 .927 .917 .93
Fx2RN Flexibility for two rigid neighbours
Karplus & Schulz, Naturwiss. 72, 212 (1985)
.892 .925 .932 .933 .914 .923 .894 .872 1.05 .921
.804 .93 .932 .885 .901 .923 .934 .913 .803 .837
LFlex Local flexibility/10
Ragone et al. (1989)
70.54 241.26 3.50 115.87 520.39 3.32 163.71 597.94 69.97 498.57
449.17 51.35 43.20 108.79 148.43 17.48 60.19 447.44 637.41 429.11
HphEi Hydrophobicity
Eisenberg, Ann. Rev. Biochem. 53, 595 (1984)
.25 .04 -.72 -.62 .61 .16 -.4 .73 -1.1 .53
.26 -.64 -.07 -.69 -1.76 -.26 -.18 .54 .37 .02
AccSS Accessible surface area in the standard state
Rose et al., Sci. 229, 834 (1985)
118.1 146.1 158.7 186.2 222.8 88.1 202.5 181 225.8 193.1
203.4 165.5 146.8 193.2 256 129.8 152.5 164.5 266.3 236.8
AccFl Average accessible surface area in folded proteins
Rose et al., Sci. 229, 834 (1985)
31.5 13.9 60.9 72.3 28.7 25.2 46.7 23 110.3 29
30.5 62.2 53.7 74 93.8 44.2 46 23.5 41.7 59.1
SuHph Average surrounding hydrophobicity
Manavalan et al. Nature 275, 673 (1978)
12.97 14.64 10.85 11.89 14 12.43 12.16 15.67 11.36 14.9
14.39 11.42 11.37 11.76 11.72 11.23 11.69 15.71 13.93 13.42
HphiH Hydrophilicity
Hopp and Woods, PNAS 78, 3824 (1981)
-.5 -1 3 3 -2.5 0 -.5 -1.8 3 -1.8
-1.3 .2 0 .2 3 .3 -.4 -1.5 -3.4 -2.3
Hypat Hydropathy
Kyte and Doolittle, J. Mol. Biol. 157, 105 (1982)
1.8 2.5 -3.5 -3.5 2.8 -.4 -3.2 4.5 -3.9 3.8
1.9 -3.5 -1.6 -3.5 -4.5 -.8 -.7 4.2 - .9 -1.3
HphiP Hydrophilicity from HPLC
Parker et al. Biochemistry 25, 5425 (1986)
2.1 1.4 10 7.8 -9.2 5.7 2.1 -8 5.7 -9.2
-4.2 7 2.1 6 4.2 6.5 5.2 -3.7 -10 -1.9
HphoJ Hydrophobicity
Jones, J. Theor. Biol. 125, 357 (1975)
.87 1.52 .66 .67 2.87 .1 .87 3.15 1.64 2.17
1.67 0.09 2.77 0 .85 .07 .07 1.87 3.77 2.67
Refrc Refractivity
Jones, J. Theor. Biol. 125, 357 (1975)
4.34 35.77 12 17.26 29.4 0 21.81 19.06 21.29 18.78
21.64 13.28 10.93 17.56 26.66 6.35 11.01 13.92 42.53 31.53
AHLev Normalized frequency of a-helix with weights
Levitt, Biochem. 17, 4277 (1978)
1.29 1.11 1.04 1.44 1.07 .56 1.22 .97 1.23 1.3
1.47 .9 .52 1.27 .96 .82 .82 .91 .99 .72
BSLev Normalized frequency of b-sheet with weights
Levitt, Biochem. 17, 4277 (1978)
.9 .74 .72 .75 1.32 .92 1.08 1.45 .77 1.02
.97 .76 .64 .8 .99 .95 1.21 1.49 1.14 1.25
BTLev Normalized frequency for reverse turn with weights
Levitt, Biochem. 17, 4277 (1978)
.78 .8 1.41 1. .58 1.64 .69 .51 .96 .59
.39 1.28 1.91 .97 .88 1.33 1.03 .47 .75 1.05
OMH
Arrell, Bankier and Drouin (1979)
-0.4 0.17 -1.3 -1.2 1.9 -0.67 -0.64 1.2 -0.67 1.2
1.0 -0.92 -0.49 -0.91 -0.59 -0.55 -0.28 0.91 0.5 1.7
PEST Signature for rapidly degraded proteins
P,E,S,T
0 0 0 1 0 0 0 0 0 0
0 0 1 0 0 1 1 0 0 0
Charg Charge of amino acids (example scale)
Chagge
0 0 -1 -1 0 0 0.5 0 1 0
0 0 0 0 1 0 0 0 0 0
AROM Local concentration of aromatic amino acids
F, W, Y
0 0 0 0 1 0 0 0 0 0
0 0 0 0 0 0 0 0 1 1