Predicted ligand sequences


ADAN-name: 2BTP2.PDB (view again the scoring matrix)

PDB name: [2BTP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R Q R s A P
position 1 2 3 4 5 6
poly-Ala 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    

(Help)

Intraclash 2.895 ΔGbinding -11.360
TOTAL
 -8.465
Backbone Hb -3.050 Cis_bond 0.000
Sidechain Hb -7.840 Torsional clash 0.170
Van der Waals -7.110 Backbone clash 0.610
Electrostatics -3.370 Helix dipole -0.030
Solvation Polar 13.400 Water bridges -0.840
Solvation Hyd -8.460 Disulfide 0.000
VdW clashes 0.750 Electrost. Kon -2.150
Entropy sc 5.610 Part.cov.bonds 0.000
Entropy mc

1.560

 ΔGstability

-17.320
       

Predicted ligand sequences for template [2BTP2.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).
 
  2BTP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yMMsyP 0.0
2 yMMEyP 0.23
3 yMIsyP 0.31
4 yyMsyP 0.4
5 yLMsyP 0.41
6 yMLsyP 0.43
7 sMMsyP 0.46
8 yIMsyP 0.48
9 DMMsyP 0.49
10 yMMsyy 0.51
11 EMMsyP 0.52
12 yMMpyP 0.53
13 yMIEyP 0.54
14 yyMEyP 0.64
15 yLMEyP 0.65
16 yMLEyP 0.67
17 sMMEyP 0.69
18 yIMEyP 0.71
19 yyIsyP 0.71
20 DMMEyP 0.72
21 yLIsyP 0.72
22 yMMEyy 0.74
23 EMMEyP 0.75
24 sMIsyP 0.77
25 yIIsyP 0.79
26 DMIsyP 0.8
27 yMIsyy 0.82
28 yyLsyP 0.83
29 EMIsyP 0.83
30 yMIpyP 0.84
31 yLLsyP 0.84
32 syMsyP 0.86
33 sLMsyP 0.87
34 DyMsyP 0.89
35 sMLsyP 0.89
36 DLMsyP 0.9
37 yyMsyy 0.91
38 yILsyP 0.91
39 EyMsyP 0.92
40 yLMsyy 0.92
41 DMLsyP 0.92
42 yyMpyP 0.93
43 ELMsyP 0.93
44 sIMsyP 0.94
45 yMLsyy 0.94
46 yyIEyP 0.94
47 yLMpyP 0.95
48 EMLsyP 0.95
49 yLIEyP 0.95
50 yMLpyP 0.96
51 DIMsyP 0.97
52 sMMsyy 0.97
53 sMMpyP 0.99
54 yIMsyy 0.99
55 EIMsyP 1.0
56 sMIEyP 1.0
57 DMMsyy 1.0
58 yIMpyP 1.01
59 DMMpyP 1.02
60 yIIEyP 1.02
61 DMIEyP 1.03
62 EMMsyy 1.03
63 yMMpyy 1.04
64 EMMpyP 1.05
65 yMIEyy 1.05
66 EMIEyP 1.06
67 yyLEyP 1.07
68 yLLEyP 1.08
69 syMEyP 1.09
70 sLMEyP 1.11
71 sMLEyP 1.12
72 DyMEyP 1.12
73 DLMEyP 1.14
74 DMLEyP 1.15
75 yILEyP 1.15
76 yyMEyy 1.15
77 EyMEyP 1.15
78 yLMEyy 1.16
79 syIsyP 1.17
80 ELMEyP 1.17
81 sIMEyP 1.17
82 EMLEyP 1.18
83 sLIsyP 1.18
84 yMLEyy 1.18
85 sMMEyy 1.2
86 DIMEyP 1.2
87 DyIsyP 1.2
88 DLIsyP 1.21
89 yyIsyy 1.22
90 yIMEyy 1.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yMLEyP

4.47

-19.32

-14.85
2 sMMsyP

4.33

-19.1

-14.77
3 yMMsyy

4.85

-19.23

-14.38
4 yMMEyy

4.65

-18.64

-13.99
5 yLIsyP

4.28

-18.06

-13.78
6 yIIsyP

4.39

-18.09

-13.7
7 yMIsyP

4.36

-17.7

-13.34
8 DMMEyP

4.24

-17.47

-13.23
9 yyMsyP

5.5

-18.39

-12.89
10 yMIsyy

4.32

-17.21

-12.89
11 DMMsyP

5.2

-17.8

-12.6
12 yyIsyP

4.59

-16.98

-12.39
13 yLMEyP

5.1

-17.46

-12.36
14 yMMEyP

4.95

-17.26

-12.31
15 yIMsyP

4.95

-17.12

-12.17
16 sMMEyP

4.8

-16.94

-12.14
17 yMLsyP

4.64

-16.77

-12.13
18 yLMsyP

6.28

-18.4

-12.12
19 EMIsyP

5.0

-16.99

-11.99
20 yyMEyP

5.14

-16.71

-11.57
21 EMMEyP

4.57

-16.03

-11.46
22 yyLsyP

5.08

-16.51

-11.43
23 yIMEyP

5.87

-17.22

-11.35
24 yMMsyP

5.93

-17.25

-11.32
25 yMMpyP

6.24

-17.39

-11.15
26 DMIsyP

5.08

-16.15

-11.07
27 yMIpyP

7.58

-18.58

-11.0
28 EMMsyP

6.18

-17.17

-10.99
29 yMIEyP

5.98

-16.53

-10.55
30 sMIsyP

5.74

-16.12

-10.38

 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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