Predicted ligand sequences


ADAN-name: 1I5H2.PDB (view again the scoring matrix)

PDB name: [1I5H.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G S T L P I P G T P P P N Y D S L
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17
poly-Ala
G
A
A
A
 A
A
A
G
A
 A
A
 A A
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 4.421 ΔGbinding -11.134
TOTAL
 -6.713
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.375 Torsional clash 0.268
Van der Waals -7.271 Backbone clash 0.290
Electrostatics -1.025 Helix dipole 0.000
Solvation Polar 5.044 Water bridges -0.261
Solvation Hyd -11.271 Disulfide 0.000
VdW clashes 1.174 Electrost. Kon -1.168
Entropy sc 1.471 Part.cov.bonds 0.000
Entropy mc

2.279

 ΔGstability

45.341
       

Predicted ligand sequences for template [1I5H2.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).
 
  1I5H2.PDB  

(data)
# Predicted Sequences Value Calculate
1 GHSPyFPGPMPIWWDsy 0.0
2 YHSPyFPGPMPIWWDsy 0.01
3 AHSPyFPGPMPIWWDsy 0.01
4 GHSPyFPGsMPIWWDsy 0.06
5 YHSPyFPGsMPIWWDsy 0.06
6 AHSPyFPGsMPIWWDsy 0.07
7 AHSPyFPGPRPIWWDsy 0.1
8 YHSPyFPGPRPIWWDsy 0.1
9 GHSPyFPGPRPIWWDsy 0.1
10 YHSPyFPsPMPIWWDsy 0.11
11 AHSPyFPsPMPIWWDsy 0.11
12 GHSPyFPsPMPIWWDsy 0.11
13 AHSPyFPFPMPIWWDsy 0.12
14 GHSPyMPGPMPIWWDsy 0.12
15 YHSPyFPFPMPIWWDsy 0.12
16 GHSPyFPGPMPyWWDsy 0.12
17 GHSPyFPFPMPIWWDsy 0.12
18 YHSPyFPGPMPyWWDsy 0.13
19 YHSPyMPGPMPIWWDsy 0.13
20 AHSPyMPGPMPIWWDsy 0.13
21 AHSPyFPGPMPyWWDsy 0.13
22 GHSPyFPGpMPIWWDsy 0.14
23 YHSPyFPGpMPIWWDsy 0.14
24 AHSPyFPGpMPIWWDsy 0.14
25 GHSPyFPGsRPIWWDsy 0.15
26 YHSPPFPGPMPIWWDsy 0.16
27 GHSPyFPssMPIWWDsy 0.16
28 YHSPyFPGsRPIWWDsy 0.16
29 AHSPyFPGsRPIWWDsy 0.16
30 GHSPPFPGPMPIWWDsy 0.16
31 YHSPyFPssMPIWWDsy 0.17
32 AHSPyFPssMPIWWDsy 0.17
33 GHSPyFPGPMPsWWDsy 0.17
34 AHSPPFPGPMPIWWDsy 0.17
35 GHSPyFPFsMPIWWDsy 0.17
36 YHSPyFPFsMPIWWDsy 0.18
37 GHSPyFPGPMPIWWDpy 0.18
38 AHSPyFPFsMPIWWDsy 0.18
39 YHSPyFPGPMPsWWDsy 0.18
40 AHSPyFPGPMPsWWDsy 0.18
41 YHSPyFPGsMPyWWDsy 0.18
42 GHSPyFPGsMPyWWDsy 0.18
43 GHSPyMPGsMPIWWDsy 0.18
44 AHSPyMPGsMPIWWDsy 0.19
45 AHSPyFPGPMPIWWDpy 0.19
46 AHSPyFPGsMPyWWDsy 0.19
47 YHSPyMPGsMPIWWDsy 0.19
48 YHSPyFPGPMPIWWDpy 0.19
49 GHSPyFPsPRPIWWDsy 0.2
50 GHSPyFPFPRPIWWDsy 0.21
51 GHSPyFPGPMPIFWDsy 0.21
52 GHSPyFPGPHPIWWDsy 0.21
53 YHSPyFPsPRPIWWDsy 0.21
54 AHSPyFPsPRPIWWDsy 0.21
55 GHSPyMPGPRPIWWDsy 0.22
56 YHSPyFPGPMPIFWDsy 0.22
57 YHSPyFsGPMPIWWDsy 0.22
58 AHSPyFPGPMPIFWDsy 0.22
59 YHSPyMPGPRPIWWDsy 0.22
60 GHSPPFPGsMPIWWDsy 0.22
61 GHSPyFsGPMPIWWDsy 0.22
62 YHSPyFPGPHPIWWDsy 0.22
63 AHSPyMPGPRPIWWDsy 0.22
64 GHSPyFPGPRPyWWDsy 0.22
65 AHSPyFPFPRPIWWDsy 0.22
66 GHSPyFPsPMPyWWDsy 0.22
67 YHSPyFPFPRPIWWDsy 0.22
68 AHSPyFPGPRPyWWDsy 0.22
69 YHSPPFPGsMPIWWDsy 0.22
70 YHSPyFPGPRPyWWDsy 0.22
71 AHSPPFPGsMPIWWDsy 0.22
72 AHSPyFPGPHPIWWDsy 0.22
73 GHSPyFPGpRPIWWDsy 0.23
74 GHSPyMPsPMPIWWDsy 0.23
75 AHSPyFPsPMPyWWDsy 0.23
76 AHSPyMPsPMPIWWDsy 0.23
77 AHSPyFsGPMPIWWDsy 0.23
78 YHSPyFPsPMPyWWDsy 0.23
79 GHSPyFPGsMPsWWDsy 0.23
80 YHSPyMPsPMPIWWDsy 0.23
81 AHSPyFPGpRPIWWDsy 0.24
82 GHSPyMPGPMPyWWDsy 0.24
83 YHSPyMPFPMPIWWDsy 0.24
84 AHSPyFPGsMPsWWDsy 0.24
85 AHSPyFPFPMPyWWDsy 0.24
86 YHSPyFPGpRPIWWDsy 0.24
87 GHSPyFPspMPIWWDsy 0.24
88 GHSPyFPGsMPIWWDpy 0.24
89 YHSPyFPFPMPyWWDsy 0.24
90 GHSPyFPFPMPyWWDsy 0.24
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 YHSPyFPGPRPIWWDsy

4.3

-16.4

-12.1
2 YHSPyFPGPMPIWWDsy

4.34

-16.13

-11.79
3 GHSPyFPGPMPyWWDsy

4.18

-15.51

-11.33
4 GHSPyFPGPMPIWWDsy

4.65

-15.96

-11.31
5 YHSPyMPGPMPIWWDsy

3.91

-14.91

-11.0
6 AHSPyFPGPMPyWWDsy

3.93

-14.65

-10.72
7 GHSPyFPsPMPIWWDsy

4.04

-14.75

-10.71
8 YHSPyFPFPMPIWWDsy

4.22

-14.92

-10.7
9 AHSPyFPFPMPIWWDsy

3.82

-14.49

-10.67
10 AHSPyFPsPMPIWWDsy

4.21

-14.85

-10.64
11 GHSPyMPGPMPIWWDsy

3.9

-14.44

-10.54
12 GHSPyFPGsRPIWWDsy

4.87

-15.37

-10.5
13 GHSPyFPGpMPIWWDsy

4.21

-14.64

-10.43
14 AHSPyFPGsRPIWWDsy

3.86

-14.15

-10.29
15 AHSPyMPGPMPIWWDsy

4.37

-14.65

-10.28
16 GHSPyFPFPMPIWWDsy

4.26

-14.48

-10.22
17 YHSPyFPGPMPyWWDsy

4.65

-14.83

-10.18
18 YHSPyFPGsRPIWWDsy

4.55

-14.69

-10.14
19 AHSPyFPGsMPIWWDsy

3.89

-13.98

-10.09
20 AHSPyFPGPMPIWWDsy

4.05

-14.02

-9.97
21 GHSPyFPssMPIWWDsy

4.15

-14.12

-9.97
22 GHSPyFPGPRPIWWDsy

4.38

-14.34

-9.96
23 AHSPyFPGPRPIWWDsy

4.38

-14.19

-9.81
24 YHSPyFPGpMPIWWDsy

4.64

-14.41

-9.77
25 AHSPyFPGpMPIWWDsy

4.17

-13.7

-9.53
26 YHSPPFPGPMPIWWDsy

4.36

-13.65

-9.29
27 GHSPPFPGPMPIWWDsy

4.62

-13.89

-9.27
28 YHSPyFPsPMPIWWDsy

4.65

-13.81

-9.16
29 GHSPyFPGsMPIWWDsy

4.37

-13.41

-9.04
30 YHSPyFPGsMPIWWDsy

4.8

-13.8

-9.0

 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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