Predicted ligand sequences


ADAN-name: 1AYC2.PDB (view again the scoring matrix)

PDB name: [1AYC.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G G y M D M S
position 1 2 3 4 5 6 7
poly-Ala
G
G
y
A
A
A
A

Grey: Restrictive positions; only 1 or 2 residues predicted after FoldX analysis

Yellow: Tolerant positions; more than 10 residues predicted after FoldX analysis

 

WT ligand    

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Intraclash 4.028 ΔGbinding -11.850
TOTAL
 -7.822
Backbone Hb -3.300 Cis_bond 0.000
Sidechain Hb -6.490 Torsional clash 0.340
Van der Waals -9.340 Backbone clash 1.040
Electrostatics -3.420 Helix dipole -0.120
Solvation Polar 13.500 Water bridges -1.160
Solvation Hyd -11.340 Disulfide 0.000
VdW clashes 2.800 Electrost. Kon -1.520
Entropy sc 3.510 Part.cov.bonds 0.000
Entropy mc

4.700

 ΔGstability

14.590
       

Predicted ligand sequences for template [1AYC2.PDB]

(from FoldX scoring matrices).
If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence).
 
  1AYC2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yGyMAMG 0.0
2 yGyMDMG 0.03
3 yGyMNMG 0.06
4 yGyMyMG 0.06
5 yGyMMMG 0.07
6 yGyMAMM 0.1
7 yGyMDMM 0.13
8 yGyMAML 0.15
9 yGyMNMM 0.15
10 yGyMyMM 0.16
11 yGyMMMM 0.17
12 yGyMDML 0.18
13 yGyMNML 0.21
14 yGyMyML 0.21
15 yGyMMML 0.22
16 yGyMAMC 0.24
17 yGyMDMC 0.27
18 yGyMNMC 0.29
19 yGyMyMC 0.3
20 yGyMMMC 0.31
21 yGyMAMW 0.34
22 yGyMDMW 0.38
23 yGyMyMW 0.4
24 yGyMNMW 0.4
25 yGyMMMW 0.41
26 yKyMAMG 0.44
27 yGyNAMG 0.45
28 yKyMDMG 0.47
29 yGyNDMG 0.48
30 yKyMNMG 0.5
31 yKyMyMG 0.5
32 yGyNyMG 0.51
33 yGyNNMG 0.51
34 yKyMMMG 0.51
35 yGyNMMG 0.52
36 yKyMAMM 0.54
37 yGyNAMM 0.55
38 yKyMDMM 0.57
39 yGyNDMM 0.58
40 yKyMAML 0.59
41 yKyMNMM 0.59
42 yKyMyMM 0.6
43 yGyNNMM 0.6
44 yGyNAML 0.6
45 yGyNyMM 0.61
46 yKyMMMM 0.61
47 yGyNMMM 0.62
48 yGyNDML 0.63
49 yKyMDML 0.63
50 yKyMNML 0.65
51 yGyNyML 0.66
52 yKyMyML 0.66
53 yGyNNML 0.66
54 yKyMMML 0.67
55 yGyNMML 0.67
56 yKyMAMC 0.68
57 yGyNAMC 0.69
58 yKyMDMC 0.71
59 yGyNDMC 0.72
60 yKyMNMC 0.74
61 yKyMyMC 0.74
62 yGyNyMC 0.75
63 yGyNNMC 0.75
64 yKyMMMC 0.75
65 yGyNMMC 0.76
66 yKyMAMW 0.79
67 yGyNAMW 0.8
68 yKyMDMW 0.82
69 yGyNDMW 0.83
70 yKyMNMW 0.84
71 yKyMyMW 0.85
72 yGyNNMW 0.85
73 yGyNyMW 0.86
74 yKyMMMW 0.86
75 yGyNMMW 0.87
76 yKyNAMG 0.9
77 yKyNDMG 0.93
78 yKyNNMG 0.95
79 yKyNyMG 0.96
80 yKyNMMG 0.97
81 yKyNAMM 0.99
82 yKyNDMM 1.02
83 yKyNAML 1.05
84 yKyNyMM 1.05
85 yKyNNMM 1.05
86 yKyNMMM 1.06
87 yKyNDML 1.08
88 yKyNNML 1.1
89 yKyNyML 1.11
90 yKyNMML 1.12
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yGyMDMC

6.13

-19.04

-12.91
2 yGyMAMC

4.91

-17.47

-12.56
3 yGyMMMM

5.62

-18.0

-12.38
4 yGyMDML

5.61

-17.83

-12.22
5 yKyMAMG

5.51

-17.5

-11.99
6 yGyMAMG

4.45

-16.43

-11.98
7 yGyMDMW

5.46

-17.25

-11.79
8 yGyMyMW

5.62

-17.39

-11.77
9 yGyMyMG

6.4

-17.98

-11.58
10 yGyMNMG

5.18

-16.51

-11.33
11 yGyMNMM

4.71

-15.99

-11.28
12 yGyMMMG

5.69

-16.81

-11.12
13 yGyMyMC

5.23

-16.28

-11.05
14 yKyMDMG

5.43

-16.48

-11.05
15 yGyMAML

5.66

-16.52

-10.86
16 yGyMNML

6.49

-17.23

-10.74
17 yGyMDMG

5.6

-16.13

-10.53
18 yGyMMMC

6.01

-16.49

-10.48
19 yGyMAMM

4.57

-14.83

-10.26
20 yGyMMML

4.57

-14.72

-10.15
21 yGyMyMM

4.62

-14.72

-10.1
22 yGyMyML

5.18

-15.04

-9.86
23 yKyMNMG

6.95

-16.79

-9.84
24 yGyMNMW

4.54

-14.21

-9.67
25 yGyMDMM

5.16

-14.83

-9.67
26 yGyMAMW

5.51

-15.0

-9.49
27 yGyNAMG

5.16

-13.98

-8.82
28 yGyMNMC

5.49

-13.82

-8.33
29 yGyMMMW

6.64

-14.03

-7.39
30 yGyNDMG

5.59

-12.9

-7.31

 NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

NOTE: No more than 10 sequences can be selected for new calculations.

If your favourite sequence is not included in this list, please visit the ADAN section Prediction from a query sequence.

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