Predicted ligand sequences


ADAN-name: 1NVS2.PDB (view again the scoring matrix)

PDB name: [1NVS.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 0.562 ΔGbinding -5.928
TOTAL
 -5.366
Backbone Hb -5.250 Cis_bond 0.000
Sidechain Hb -3.700 Torsional clash 0.163
Van der Waals -6.447 Backbone clash 0.278
Electrostatics -0.855 Helix dipole 0.000
Solvation Polar 10.231 Water bridges -0.054
Solvation Hyd -8.810 Disulfide 0.000
VdW clashes 3.021 Electrost. Kon -0.651
Entropy sc 2.124 Part.cov.bonds 0.000
Entropy mc

4.300

 ΔGstability

-2.865
       

Predicted ligand sequences for template [1NVS2.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).
 
  1NVS2.PDB  

(data)
# Predicted Sequences Value Calculate
1 KSLIW 0.0
2 KSLRW 0.11
3 KSLIF 0.12
4 RSLIW 0.15
5 KSLTW 0.2
6 KSLRF 0.23
7 MSLIW 0.25
8 RSLRW 0.26
9 RSLIF 0.27
10 KSLTF 0.32
11 RSLTW 0.35
12 MSLRW 0.36
13 MSLIF 0.37
14 KSVIW 0.37
15 RSLRF 0.38
16 PSLIW 0.45
17 ESLIW 0.45
18 MSLTW 0.45
19 KSLNW 0.46
20 RSLTF 0.47
21 KSLKW 0.48
22 MSLRF 0.48
23 KSVRW 0.48
24 KSVIF 0.49
25 RSVIW 0.52
26 PSLRW 0.56
27 ESLRW 0.56
28 PSLIF 0.57
29 KSVTW 0.57
30 ESLIF 0.57
31 MSLTF 0.57
32 KSLNF 0.58
33 KSVRF 0.6
34 KSLKF 0.6
35 RSLNW 0.61
36 MSVIW 0.62
37 RSLKW 0.63
38 RSVRW 0.63
39 RSVIF 0.64
40 ESLTW 0.65
41 PSLTW 0.65
42 ESLRF 0.68
43 PSLRF 0.69
44 KSVTF 0.69
45 MSLNW 0.71
46 RSVTW 0.72
47 RSLNF 0.73
48 MSVRW 0.73
49 MSLKW 0.73
50 MSVIF 0.74
51 RSLKF 0.75
52 RSVRF 0.75
53 ESLTF 0.77
54 PSLTF 0.77
55 MSVTW 0.82
56 ESVIW 0.82
57 PSVIW 0.82
58 MSLNF 0.83
59 KSVNW 0.83
60 RSVTF 0.84
61 KSVKW 0.85
62 MSVRF 0.85
63 MSLKF 0.86
64 ESLNW 0.91
65 PSLNW 0.91
66 ESLKW 0.93
67 PSVRW 0.93
68 ESVRW 0.93
69 MSVTF 0.94
70 ESVIF 0.94
71 PSVIF 0.94
72 PSLKW 0.94
73 KSVNF 0.95
74 KSVKF 0.97
75 RSVNW 0.98
76 RSVKW 1.0
77 ESVTW 1.02
78 PSVTW 1.02
79 ESLNF 1.03
80 PSLNF 1.03
81 PSVRF 1.05
82 ESVRF 1.05
83 ESLKF 1.06
84 PSLKF 1.06
85 MSVNW 1.08
86 RSVNF 1.1
87 MSVKW 1.1
88 RSVKF 1.12
89 PSVTF 1.14
90 ESVTF 1.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KSLRW

1.05

-13.96

-12.91
2 KSLIW

0.98

-13.79

-12.81
3 KSVIF

1.56

-14.35

-12.79
4 KSVIW

0.89

-13.64

-12.75
5 RSVIW

0.92

-13.67

-12.75
6 KSLIF

1.11

-13.85

-12.74
7 MSLIF

1.14

-13.77

-12.63
8 KSLKW

0.95

-13.4

-12.45
9 RSLRF

1.92

-14.34

-12.42
10 MSLIW

1.01

-13.4

-12.39
11 KSVRW

1.12

-13.44

-12.32
12 RSLRW

1.13

-13.31

-12.18
13 RSLIW

1.17

-13.32

-12.15
14 RSLIF

1.4

-13.4

-12.0
15 KSLNW

1.11

-13.09

-11.98
16 KSLRF

1.76

-13.52

-11.76
17 ESLRW

0.99

-12.74

-11.75
18 KSLTW

1.01

-12.45

-11.44
19 MSLRF

1.18

-12.6

-11.42
20 PSLIF

1.08

-12.31

-11.23
21 MSLRW

1.13

-12.34

-11.21
22 KSLTF

1.33

-12.37

-11.04
23 ESLIW

1.09

-12.05

-10.96
24 RSLTW

1.13

-12.04

-10.91
25 MSLTW

0.99

-11.82

-10.83
26 PSLIW

1.09

-11.89

-10.8
27 PSLRW

1.18

-11.88

-10.7
28 RSLTF

1.3

-11.69

-10.39
29 ESLIF

1.35

-11.53

-10.18
30 KSVTW

0.97

-10.88

-9.91

 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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