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Cristian Micheletti
SISSA
Via Beirut 2A
I-34014 Trieste
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e-mail: michelet@sissa.it

Optimal effective potentials.
 

Supplementary material to:
C. Micheletti, F. Seno, J. R. Banavar and A. Maritan
Learning effective amino acid interactions through iterative stochastic techniques
Proteins 42, 422-431 (2001).

Values for the optimal potentials learnt with Model A through the iterative procedure.


Epsilon_r : 0.032594


The following is the list of the 400 effective pair-interactions between the amino acids. The amino acids identity has been coded in the following way:

GLY: 0
ALA: 1
VAL: 2
LEU: 3
ILE: 4
CYS: 5
MET: 6
PHE: 7
PRO: 8
TYR: 9
HIS: 10
TRP: 11
SER: 12
THR: 13
LYS: 14
ARG: 15
ASP: 16
ASN: 17
GLU: 18
GLN: 19



A1 A2 Epsilon(A1,A2)
0 0 0.000990
0 1 -0.003111
0 2 0.001995
0 3 -0.001538
0 4 0.000446
0 5 0.001847
0 6 0.002339
0 7 0.000189
0 8 0.009071
0 9 -0.000737
0 10 -0.000951
0 11 -0.012366
0 12 -0.003528
0 13 0.001084
0 14 -0.001308
0 15 0.002466
0 16 0.001528
0 17 -0.001649
0 18 -0.000113
0 19 -0.000425
1 0 -0.003111
1 1 0.001461
1 2 0.003642
1 3 0.000864
1 4 -0.002119
1 5 -0.000751
1 6 -0.001496
1 7 0.005126
1 8 -0.005081
1 9 -0.000724
1 10 -0.002432
1 11 -0.009737
1 12 -0.001515
1 13 -0.000218
1 14 0.001754
1 15 -0.002511
1 16 -0.001348
1 17 0.003323
1 18 -0.002376
1 19 0.005029
2 0 0.001995
2 1 0.003642
2 2 0.001445
2 3 -0.001940
2 4 0.002618
2 5 0.000296
2 6 -0.005331
2 7 0.000008
2 8 0.001362
2 9 -0.002175
2 10 -0.006893
2 11 -0.001516
2 12 -0.000443
2 13 0.004075
2 14 -0.006987
2 15 -0.005168
2 16 0.000092
2 17 -0.001040
2 18 0.001387
2 19 0.000029
3 0 -0.001538
3 1 0.000864
3 2 -0.001940
3 3 -0.000748
3 4 -0.000782
3 5 -0.000196
3 6 -0.002531
3 7 -0.002127
3 8 -0.005026
3 9 0.003540
3 10 -0.004529
3 11 0.010659
3 12 0.001004
3 13 0.003770
3 14 0.002119
3 15 -0.001302
3 16 0.000585
3 17 -0.000605
3 18 -0.000453
3 19 -0.004168
4 0 0.000446
4 1 -0.002119
4 2 0.002618
4 3 -0.000782
4 4 0.006801
4 5 0.002965
4 6 -0.009283
4 7 -0.009792
4 8 0.004353
4 9 -0.004792
4 10 -0.000476
4 11 0.002734
4 12 0.001538
4 13 -0.004179
4 14 0.000855
4 15 0.001034
4 16 0.002659
4 17 0.002317
4 18 0.007647
4 19 -0.001875
5 0 0.001847
5 1 -0.000751
5 2 0.000296
5 3 -0.000196
5 4 0.002965
5 5 -0.002544
5 6 0.014331
5 7 -0.013925
5 8 -0.001720
5 9 0.002585
5 10 0.054553
5 11 -0.035239
5 12 0.001837
5 13 0.002620
5 14 -0.006040
5 15 -0.006062
5 16 0.002278
5 17 0.006139
5 18 0.002791
5 19 0.001387
6 0 0.002339
6 1 -0.001496
6 2 -0.005331
6 3 -0.002531
6 4 -0.009283
6 5 0.014331
6 6 0.031655
6 7 0.001010
6 8 -0.008698
6 9 -0.003258
6 10 0.031785
6 11 0.984886
6 12 0.002007
6 13 -0.002190
6 14 -0.004667
6 15 -0.004676
6 16 0.001491
6 17 0.018413
6 18 0.003231
6 19 -0.002908
7 0 0.000189
7 1 0.005126
7 2 0.000008
7 3 -0.002127
7 4 -0.009792
7 5 -0.013925
7 6 0.001010
7 7 -0.013128
7 8 -0.006986
7 9 -0.003256
7 10 -0.000190
7 11 0.006057
7 12 -0.001223
7 13 0.004102
7 14 -0.004479
7 15 0.004855
7 16 0.004899
7 17 0.003461
7 18 -0.001143
7 19 0.003790
8 0 0.009071
8 1 -0.005081
8 2 0.001362
8 3 -0.005026
8 4 0.004353
8 5 -0.001720
8 6 -0.008698
8 7 -0.006986
8 8 -0.003621
8 9 0.000996
8 10 -0.002032
8 11 0.013914
8 12 -0.003125
8 13 0.005402
8 14 0.009888
8 15 -0.000067
8 16 0.000755
8 17 0.003707
8 18 0.005402
8 19 0.000525
9 0 -0.000737
9 1 -0.000724
9 2 -0.002175
9 3 0.003540
9 4 -0.004792
9 5 0.002585
9 6 -0.003258
9 7 -0.003256
9 8 0.000996
9 9 -0.007699
9 10 0.007276
9 11 0.003708
9 12 -0.001895
9 13 -0.001235
9 14 0.007956
9 15 0.004237
9 16 0.000182
9 17 -0.006968
9 18 0.003261
9 19 -0.005137
10 0 -0.000951
10 1 -0.002432
10 2 -0.006893
10 3 -0.004529
10 4 -0.000476
10 5 0.054553
10 6 0.031785
10 7 -0.000190
10 8 -0.002032
10 9 0.007276
10 10 0.001314
10 11 -0.006739
10 12 0.009858
10 13 -0.005871
10 14 0.002934
10 15 0.009985
10 16 -0.002501
10 17 0.008099
10 18 -0.007232
10 19 0.005803
11 0 -0.012366
11 1 -0.009737
11 2 -0.001516
11 3 0.010659
11 4 0.002734
11 5 -0.035239
11 6 0.984886
11 7 0.006057
11 8 0.013914
11 9 0.003708
11 10 -0.006739
11 11 0.131813
11 12 -0.002330
11 13 0.003848
11 14 -0.001668
11 15 -0.014845
11 16 -0.007832
11 17 -0.003028
11 18 -0.009357
11 19 0.012075
12 0 -0.003528
12 1 -0.001515
12 2 -0.000443
12 3 0.001004
12 4 0.001538
12 5 0.001837
12 6 0.002007
12 7 -0.001223
12 8 -0.003125
12 9 -0.001895
12 10 0.009858
12 11 -0.002330
12 12 -0.000802
12 13 -0.002393
12 14 0.005015
12 15 -0.001180
12 16 -0.001609
12 17 0.006249
12 18 0.002888
12 19 -0.009002
13 0 0.001084
13 1 -0.000218
13 2 0.004075
13 3 0.003770
13 4 -0.004179
13 5 0.002620
13 6 -0.002190
13 7 0.004102
13 8 0.005402
13 9 -0.001235
13 10 -0.005871
13 11 0.003848
13 12 -0.002393
13 13 0.003269
13 14 -0.005895
13 15 0.003967
13 16 0.002193
13 17 -0.005914
13 18 0.000948
13 19 0.001006
14 0 -0.001308
14 1 0.001754
14 2 -0.006987
14 3 0.002119
14 4 0.000855
14 5 -0.006040
14 6 -0.004667
14 7 -0.004479
14 8 0.009888
14 9 0.007956
14 10 0.002934
14 11 -0.001668
14 12 0.005015
14 13 -0.005895
14 14 0.005109
14 15 0.007273
14 16 -0.000642
14 17 0.006158
14 18 -0.009604
14 19 0.002349
15 0 0.002466
15 1 -0.002511
15 2 -0.005168
15 3 -0.001302
15 4 0.001034
15 5 -0.006062
15 6 -0.004676
15 7 0.004855
15 8 -0.000067
15 9 0.004237
15 10 0.009985
15 11 -0.014845
15 12 -0.001180
15 13 0.003967
15 14 0.007273
15 15 0.009875
15 16 0.001974
15 17 -0.006728
15 18 -0.004586
15 19 -0.001210
16 0 0.001528
16 1 -0.001348
16 2 0.000092
16 3 0.000585
16 4 0.002659
16 5 0.002278
16 6 0.001491
16 7 0.004899
16 8 0.000755
16 9 0.000182
16 10 -0.002501
16 11 -0.007832
16 12 -0.001609
16 13 0.002193
16 14 -0.000642
16 15 0.001974
16 16 -0.000531
16 17 0.007855
16 18 0.002194
16 19 -0.001466
17 0 -0.001649
17 1 0.003323
17 2 -0.001040
17 3 -0.000605
17 4 0.002317
17 5 0.006139
17 6 0.018413
17 7 0.003461
17 8 0.003707
17 9 -0.006968
17 10 0.008099
17 11 -0.003028
17 12 0.006249
17 13 -0.005914
17 14 0.006158
17 15 -0.006728
17 16 0.007855
17 17 -0.001962
17 18 -0.003154
17 19 0.004502
18 0 -0.000113
18 1 -0.002376
18 2 0.001387
18 3 -0.000453
18 4 0.007647
18 5 0.002791
18 6 0.003231
18 7 -0.001143
18 8 0.005402
18 9 0.003261
18 10 -0.007232
18 11 -0.009357
18 12 0.002888
18 13 0.000948
18 14 -0.009604
18 15 -0.004586
18 16 0.002194
18 17 -0.003154
18 18 0.006456
18 19 -0.005234
19 0 -0.000425
19 1 0.005029
19 2 0.000029
19 3 -0.004168
19 4 -0.001875
19 5 0.001387
19 6 -0.002908
19 7 0.003790
19 8 0.000525
19 9 -0.005137
19 10 0.005803
19 11 0.012075
19 12 -0.009002
19 13 0.001006
19 14 0.002349
19 15 -0.001210
19 16 -0.001466
19 17 0.004502
19 18 -0.005234
19 19 0.008438

Created by C. Micheletti - June 2000.

e-mail: michelet@sissa.it