Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala A
G
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 1.250 ΔGbinding -3.046
TOTAL
 -1.796
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.172
Van der Waals -2.379 Backbone clash 0.001
Electrostatics -0.085 Helix dipole 0.000
Solvation Polar 2.194 Water bridges 0.000
Solvation Hyd -3.740 Disulfide 0.000
VdW clashes 0.065 Electrost. Kon -0.144
Entropy sc 0.389 Part.cov.bonds 0.000
Entropy mc

1.757

 ΔGstability

23.096
       

Predicted ligand sequences for model [NBP2_1SEM-7.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).
 
  NBP2_1SEM-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 KRRRPPWW 0.0
2 KRRRVPWW 0.07
3 WRRRPPWW 0.16
4 KRRRPRWW 0.18
5 KRRRPKWW 0.2
6 WRRRVPWW 0.23
7 KRRRVRWW 0.25
8 KRRRVKWW 0.28
9 KRRRPHWW 0.29
10 KRKRPPWW 0.31
11 WRRRPRWW 0.34
12 KRRRPAWW 0.35
13 WRRRPKWW 0.36
14 KRRRVHWW 0.36
15 KRKRVPWW 0.38
16 WRRRVRWW 0.41
17 KRRRVAWW 0.42
18 WRRRVKWW 0.43
19 WRRRPHWW 0.45
20 RRRRPPWW 0.45
21 WRKRPPWW 0.47
22 IRRRPPWW 0.48
23 KRKRPRWW 0.49
24 QRRRPPWW 0.5
25 WRRRPAWW 0.51
26 WRRRVHWW 0.52
27 RRRRVPWW 0.52
28 KRKRPKWW 0.52
29 WRKRVPWW 0.54
30 IRRRVPWW 0.55
31 KRKRVRWW 0.56
32 QRRRVPWW 0.57
33 WRRRVAWW 0.58
34 KRKRVKWW 0.59
35 KRKRPHWW 0.6
36 RRRRPRWW 0.63
37 WRKRPRWW 0.65
38 IRRRPRWW 0.66
39 KRKRPAWW 0.66
40 RRRRPKWW 0.66
41 QRRRPRWW 0.67
42 KRKRVHWW 0.67
43 WRKRPKWW 0.68
44 IRRRPKWW 0.69
45 RRRRVRWW 0.7
46 QRRRPKWW 0.7
47 WRKRVRWW 0.72
48 KRKRVAWW 0.73
49 IRRRVRWW 0.73
50 RRRRVKWW 0.73
51 QRRRVRWW 0.74
52 RRRRPHWW 0.74
53 WRKRVKWW 0.75
54 WRKRPHWW 0.76
55 RRKRPPWW 0.76
56 IRRRVKWW 0.76
57 QRRRVKWW 0.77
58 IRRRPHWW 0.77
59 QRRRPHWW 0.78
60 IRKRPPWW 0.8
61 RRRRPAWW 0.8
62 RRRRVHWW 0.81
63 QRKRPPWW 0.81
64 WRKRPAWW 0.82
65 RRKRVPWW 0.83
66 WRKRVHWW 0.83
67 IRRRPAWW 0.83
68 QRRRPAWW 0.84
69 IRRRVHWW 0.84
70 QRRRVHWW 0.85
71 RRRRVAWW 0.87
72 IRKRVPWW 0.87
73 QRKRVPWW 0.88
74 WRKRVAWW 0.89
75 IRRRVAWW 0.9
76 QRRRVAWW 0.92
77 RRKRPRWW 0.94
78 RRKRPKWW 0.97
79 IRKRPRWW 0.97
80 QRKRPRWW 0.99
81 IRKRPKWW 1.0
82 RRKRVRWW 1.01
83 QRKRPKWW 1.01
84 IRKRVRWW 1.04
85 RRKRVKWW 1.04
86 RRKRPHWW 1.05
87 QRKRVRWW 1.06
88 IRKRVKWW 1.07
89 IRKRPHWW 1.08
90 QRKRVKWW 1.08
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRRRPHWW

2.39

-15.1

-12.71
2 RRRRPPWW

2.5

-14.67

-12.17
3 KRRRPPWW

2.56

-13.6

-11.04
4 RRRRVPWW

2.19

-12.45

-10.26
5 KRRRPRWW

1.91

-11.97

-10.06
6 KRKRPPWW

1.75

-11.54

-9.79
7 WRRRPHWW

2.02

-11.62

-9.6
8 WRRRPKWW

2.82

-12.17

-9.35
9 KRKRPRWW

2.07

-11.35

-9.28
10 KRRRPAWW

1.98

-11.13

-9.15
11 WRKRVPWW

2.39

-10.97

-8.58
12 WRRRVPWW

2.01

-10.43

-8.42
13 WRRRPAWW

2.11

-10.52

-8.41
14 WRKRPPWW

1.9

-10.15

-8.25
15 WRRRPRWW

2.47

-10.69

-8.22
16 QRRRPPWW

2.5

-10.67

-8.17
17 KRRRVRWW

2.16

-10.32

-8.16
18 KRKRPKWW

1.98

-9.87

-7.89
19 WRRRVRWW

1.89

-9.76

-7.87
20 WRRRPPWW

2.44

-10.06

-7.62
21 WRRRVKWW

2.53

-10.14

-7.61
22 KRRRVHWW

1.74

-9.34

-7.6
23 KRRRVPWW

1.71

-9.28

-7.57
24 KRRRPKWW

1.88

-9.36

-7.48
25 IRRRVPWW

2.77

-10.22

-7.45
26 WRRRVHWW

1.95

-8.91

-6.96
27 KRRRVAWW

2.22

-9.16

-6.94
28 KRKRVPWW

2.62

-9.03

-6.41
29 KRRRVKWW

2.02

-8.3

-6.28
30 IRRRPPWW

3.38

-9.02

-5.64

 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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