Predicted ligand sequences


ADAN-name: 1NVR2.PDB (view again the scoring matrix)

PDB name: [1NVR.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT A S V S A
position 1 2 3 4 5
poly-Ala 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 0.983 ΔGbinding -4.348
TOTAL
 -3.365
Backbone Hb -5.100 Cis_bond 0.000
Sidechain Hb -3.550 Torsional clash 0.487
Van der Waals -6.544 Backbone clash 0.258
Electrostatics -0.654 Helix dipole 0.000
Solvation Polar 9.882 Water bridges -0.236
Solvation Hyd -8.959 Disulfide 0.000
VdW clashes 3.417 Electrost. Kon -0.548
Entropy sc 2.367 Part.cov.bonds 0.000
Entropy mc

5.090

 ΔGstability

-13.521
       

Predicted ligand sequences for template [1NVR2.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).
 
  1NVR2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MSVRF 0.0
2 MSVRW 0.04
3 MRVRF 0.2
4 MRVRW 0.25
5 KSVRF 0.45
6 KSVRW 0.49
7 TSVRF 0.5
8 TSVRW 0.55
9 KRVRF 0.65
10 KRVRW 0.69
11 TRVRF 0.71
12 MSVRy 0.71
13 RSVRF 0.74
14 ESVRF 0.74
15 TRVRW 0.75
16 RSVRW 0.78
17 ESVRW 0.78
18 MRVRy 0.91
19 MWVRF 0.91
20 RRVRF 0.94
21 ERVRF 0.94
22 MWVRW 0.95
23 MSVRY 0.97
24 ERVRW 0.98
25 RRVRW 0.99
26 MSVTF 1.02
27 MSVTW 1.06
28 KSVRy 1.15
29 MRVRY 1.18
30 TSVRy 1.21
31 MRVTF 1.23
32 MRVTW 1.27
33 KWVRF 1.35
34 KRVRy 1.36
35 KWVRW 1.39
36 TWVRF 1.41
37 TRVRy 1.41
38 KSVRY 1.42
39 TWVRW 1.45
40 RSVRy 1.45
41 ESVRy 1.45
42 KSVTF 1.47
43 TSVRY 1.48
44 KSVTW 1.51
45 TSVTF 1.53
46 TSVTW 1.57
47 MWVRy 1.61
48 KRVRY 1.62
49 RRVRy 1.65
50 RWVRF 1.65
51 ERVRy 1.65
52 EWVRF 1.65
53 KRVTF 1.67
54 TRVRY 1.68
55 RWVRW 1.69
56 EWVRW 1.69
57 KRVTW 1.71
58 ESVRY 1.71
59 RSVRY 1.71
60 MSVTy 1.73
61 TRVTF 1.73
62 ESVTF 1.76
63 RSVTF 1.76
64 TRVTW 1.77
65 ESVTW 1.8
66 RSVTW 1.8
67 MWVRY 1.88
68 RRVRY 1.92
69 ERVRY 1.92
70 MWVTF 1.93
71 MRVTy 1.93
72 MWVTW 1.97
73 RRVTF 1.97
74 ERVTF 1.97
75 MSVTY 1.99
76 RRVTW 2.01
77 ERVTW 2.01
78 KWVRy 2.06
79 TWVRy 2.12
80 KSVTy 2.18
81 MRVTY 2.2
82 TSVTy 2.23
83 KWVRY 2.32
84 RWVRy 2.35
85 EWVRy 2.35
86 TWVRY 2.38
87 KRVTy 2.38
88 KWVTF 2.38
89 KWVTW 2.42
90 TWVTF 2.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRVRF

1.86

-12.87

-11.01
2 KRVRW

1.41

-12.06

-10.65
3 TSVRW

1.29

-11.85

-10.56
4 MRVRY

1.73

-12.02

-10.29
5 RRVRF

2.07

-11.81

-9.74
6 MSVRF

1.69

-11.32

-9.63
7 ERVRF

1.39

-11.02

-9.63
8 TRVRF

1.21

-10.73

-9.52
9 TSVRF

1.44

-10.87

-9.43
10 MSVRY

1.76

-11.12

-9.36
11 RSVRF

1.59

-10.94

-9.35
12 TRVRW

1.28

-10.54

-9.26
13 MSVRW

1.68

-10.84

-9.16
14 MRVRF

1.78

-10.91

-9.13
15 MRVRW

1.68

-10.81

-9.13
16 KSVRW

1.7

-10.69

-8.99
17 MSVTW

1.44

-10.17

-8.73
18 RSVRW

2.11

-10.79

-8.68
19 KSVRF

1.84

-10.43

-8.59
20 RRVRW

1.92

-10.44

-8.52
21 MSVTF

1.06

-9.54

-8.48
22 MWVRW

1.84

-10.23

-8.39
23 ESVRF

1.62

-9.99

-8.37
24 ESVRW

1.44

-9.63

-8.19
25 MRVRy

1.66

-9.55

-7.89
26 MWVRF

1.89

-9.71

-7.82
27 MSVRy

1.6

-9.4

-7.8
28 TSVRy

1.12

-8.87

-7.75
29 ERVRW

1.11

-8.05

-6.94
30 KSVRy

1.77

-8.7

-6.93

 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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