Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-8.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
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 0.909 ΔGbinding -2.524
TOTAL
 -1.615
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.730
Van der Waals -3.331 Backbone clash 0.042
Electrostatics 0.031 Helix dipole 0.000
Solvation Polar 2.801 Water bridges 0.000
Solvation Hyd -5.052 Disulfide 0.000
VdW clashes 0.169 Electrost. Kon 0.010
Entropy sc 0.210 Part.cov.bonds 0.000
Entropy mc

1.908

 ΔGstability

31.893
       

Predicted ligand sequences for model [NBP2_1GCQ-8.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_1GCQ-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 HWRPRPPR 0.0
2 HWRPRPRR 0.01
3 RWRPRPPR 0.08
4 RWRPRPRR 0.09
5 HWRRRPPR 0.11
6 HWRPRPKR 0.12
7 HWRRRPRR 0.12
8 KWRPRPPR 0.14
9 HWRIRPPR 0.15
10 KWRPRPRR 0.15
11 HWRIRPRR 0.16
12 FWRPRPPR 0.17
13 HWRWRPPR 0.17
14 HWRWRPRR 0.18
15 FWRPRPRR 0.18
16 RWRRRPRR 0.2
17 RWRRRPPR 0.2
18 RWRPRPKR 0.21
19 RWRIRPPR 0.23
20 HWRRRPKR 0.24
21 RWRIRPRR 0.24
22 KWRRRPPR 0.25
23 KWRRRPRR 0.26
24 RWRWRPPR 0.26
25 HWRPRPGR 0.26
26 RWRWRPRR 0.27
27 KWRPRPKR 0.27
28 HWRIRPKR 0.27
29 FWRRRPPR 0.28
30 FWRPRPKR 0.29
31 KWRIRPPR 0.29
32 FWRRRPRR 0.29
33 HWRWRPKR 0.3
34 KWRIRPRR 0.3
35 HWRPRIPR 0.32
36 FWRIRPPR 0.32
37 RWRRRPKR 0.32
38 FWRIRPRR 0.32
39 KWRWRPRR 0.32
40 KWRWRPPR 0.32
41 HWRPRIRR 0.33
42 RWRPRPGR 0.34
43 FWRWRPPR 0.34
44 FWRWRPRR 0.35
45 RWRIRPKR 0.36
46 HWRRRPGR 0.37
47 KWRRRPKR 0.38
48 RWRWRPKR 0.38
49 FWRRRPKR 0.4
50 RWRPRIPR 0.4
51 KWRPRPGR 0.4
52 HWRIRPGR 0.4
53 KWRIRPKR 0.41
54 RWRPRIRR 0.41
55 FWRPRPGR 0.42
56 HWRRRIPR 0.43
57 HWRWRPGR 0.43
58 FWRIRPKR 0.44
59 KWRWRPKR 0.44
60 HWRPRIKR 0.44
61 HWRRRIRR 0.44
62 RWRRRPGR 0.45
63 KWRPRIPR 0.46
64 HWRIRIPR 0.47
65 HWRIRIRR 0.47
66 FWRWRPKR 0.47
67 KWRPRIRR 0.47
68 FWRPRIPR 0.48
69 RWRIRPGR 0.49
70 HWRWRIPR 0.49
71 FWRPRIRR 0.49
72 HWRWRIRR 0.5
73 KWRRRPGR 0.51
74 RWRWRPGR 0.51
75 RWRRRIPR 0.51
76 RWRRRIRR 0.52
77 RWRPRIKR 0.53
78 KWRIRPGR 0.54
79 FWRRRPGR 0.54
80 RWRIRIPR 0.55
81 HWRRRIKR 0.55
82 RWRIRIRR 0.56
83 FWRIRPGR 0.57
84 HWRPRIGR 0.57
85 KWRRRIPR 0.57
86 KWRWRPGR 0.57
87 KWRPRIKR 0.58
88 KWRRRIRR 0.58
89 RWRWRIPR 0.58
90 RWRWRIRR 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HWRPRPGR

5.12

-12.2

-7.08
2 FWRRRPPR

1.93

-8.99

-7.06
3 FWRPRPRR

2.85

-9.41

-6.56
4 HWRRRPPR

3.0

-9.36

-6.36
5 HWRIRPKR

3.43

-9.74

-6.31
6 HWRPRPPR

2.91

-9.21

-6.3
7 FWRPRPPR

2.78

-9.0

-6.22
8 HWRWRPRR

2.04

-8.1

-6.06
9 RWRPRPKR

2.06

-8.01

-5.95
10 HWRPRPRR

3.16

-8.89

-5.73
11 RWRWRPPR

3.66

-9.39

-5.73
12 RWRRRPRR

2.77

-8.42

-5.65
13 HWRRRPKR

2.02

-7.57

-5.55
14 RWRIRPRR

2.14

-7.49

-5.35
15 HWRPRPKR

3.31

-8.65

-5.34
16 HWRIRPRR

4.16

-9.3

-5.14
17 RWRWRPRR

4.26

-9.38

-5.12
18 KWRPRPPR

2.57

-7.59

-5.02
19 KWRPRPRR

3.31

-8.32

-5.01
20 HWRRRPRR

2.92

-7.93

-5.01
21 RWRPRPRR

3.31

-8.32

-5.01
22 RWRRRPPR

2.53

-7.46

-4.93
23 KWRRRPRR

2.72

-7.54

-4.82
24 KWRRRPPR

2.38

-7.11

-4.73
25 RWRIRPPR

2.63

-7.3

-4.67
26 KWRPRPKR

3.05

-7.62

-4.57
27 HWRWRPPR

3.46

-7.98

-4.52
28 HWRIRPPR

3.61

-8.07

-4.46
29 RWRPRPPR

4.32

-8.77

-4.45
30 FWRPRPKR

2.27

-6.35

-4.08

 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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