Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-5.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8 9 10
poly-Ala A
A
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 1.910 ΔGbinding 1.240
TOTAL
 3.150
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.524
Van der Waals -5.154 Backbone clash 0.421
Electrostatics 0.164 Helix dipole 0.000
Solvation Polar 4.661 Water bridges 0.037
Solvation Hyd -8.163 Disulfide 0.000
VdW clashes 6.276 Electrost. Kon 0.250
Entropy sc 0.650 Part.cov.bonds 0.000
Entropy mc

2.271

 ΔGstability

30.669
       

Predicted ligand sequences for model [NBP2_1SEM-5.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-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 LLNRPPRRHF 0.0
2 LLFRPPRRHF 0.0
3 MLFRPPRRHF 0.01
4 LLNRPPRPHF 0.02
5 MLNRPPRRHF 0.02
6 LLFRPPRPHF 0.02
7 MLFRPPRPHF 0.04
8 LLFRPPRHHF 0.04
9 MLNRPPRPHF 0.04
10 LLNRPPRHHF 0.04
11 MLFRPPRHHF 0.06
12 MLNRPPRHHF 0.06
13 ILFRPPRRHF 0.06
14 LLHRPPRRHF 0.06
15 MLHRPPRRHF 0.07
16 ILNRPPRRHF 0.07
17 LLFKPPRRHF 0.08
18 ILFRPPRPHF 0.08
19 LLNKPPRRHF 0.08
20 LLHRPPRPHF 0.08
21 MLFKPPRRHF 0.09
22 ILNRPPRPHF 0.09
23 MLNKPPRRHF 0.1
24 LLHRPPRHHF 0.1
25 LLFKPPRPHF 0.1
26 MLHRPPRPHF 0.1
27 LLNKPPRPHF 0.1
28 ILNRPPRHHF 0.11
29 ILFRPPRHHF 0.11
30 MLFKPPRPHF 0.11
31 LLFKPPRHHF 0.12
32 ILHRPPRRHF 0.12
33 MLHRPPRHHF 0.12
34 LLNKPPRHHF 0.12
35 MLNKPPRPHF 0.12
36 ILNKPPRRHF 0.14
37 ILHRPPRPHF 0.14
38 ILFKPPRRHF 0.14
39 MLFKPPRHHF 0.14
40 LLHKPPRRHF 0.14
41 MLNKPPRHHF 0.14
42 MLHKPPRRHF 0.15
43 ILHRPPRHHF 0.16
44 ILNKPPRPHF 0.16
45 ILFKPPRPHF 0.16
46 LLHKPPRPHF 0.16
47 MLHKPPRPHF 0.17
48 ILFKPPRHHF 0.18
49 LLHKPPRHHF 0.18
50 ILNKPPRHHF 0.19
51 ILHKPPRRHF 0.2
52 MLHKPPRHHF 0.2
53 LLFRRPRRHF 0.2
54 LLNRRPRRHF 0.21
55 ILHKPPRPHF 0.22
56 MLNRRPRRHF 0.22
57 LLFRRPRPHF 0.22
58 MLFRRPRRHF 0.22
59 LLNRRPRPHF 0.23
60 MLNRRPRPHF 0.24
61 MLFRRPRPHF 0.24
62 ILHKPPRHHF 0.24
63 LLFRRPRHHF 0.25
64 LLNRRPRHHF 0.25
65 LLHRRPRRHF 0.26
66 MLFRRPRHHF 0.26
67 MLNRRPRHHF 0.26
68 ILFRRPRRHF 0.27
69 LLFRPPRRHI 0.27
70 ILNRRPRRHF 0.27
71 LLNRPPRRHI 0.28
72 LLHRRPRPHF 0.28
73 MLHRRPRRHF 0.28
74 LLNKRPRRHF 0.28
75 LLFKRPRRHF 0.28
76 ILFRRPRPHF 0.29
77 ILNRRPRPHF 0.29
78 MLNRPPRRHI 0.29
79 MLFRPPRRHI 0.29
80 LLNRPPRPHI 0.3
81 LLFKRPRPHF 0.3
82 LLFRPPRPHI 0.3
83 LLHRRPRHHF 0.3
84 LLNKRPRPHF 0.3
85 MLFKRPRRHF 0.3
86 MLHRRPRPHF 0.3
87 MLNKRPRRHF 0.3
88 MLFRPPRPHI 0.31
89 ILFRRPRHHF 0.31
90 MLNRPPRPHI 0.31
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MLNRPPRRHF

2.53

-13.78

-11.25
2 ILFRPPRRHF

2.92

-13.42

-10.5
3 LLNKPPRRHF

2.5

-12.77

-10.27
4 MLHRPPRRHF

2.25

-12.01

-9.76
5 LLFRPPRRHF

2.63

-12.25

-9.62
6 ILFRPPRHHF

2.62

-12.23

-9.61
7 MLNRPPRPHF

3.47

-13.01

-9.54
8 MLFRPPRPHF

2.56

-12.08

-9.52
9 LLNRPPRRHF

2.95

-12.45

-9.5
10 LLFRPPRPHF

2.58

-12.05

-9.47
11 MLFRPPRRHF

2.7

-12.04

-9.34
12 LLHRPPRPHF

2.55

-11.84

-9.29
13 ILNRPPRRHF

3.0

-12.28

-9.28
14 ILFRPPRPHF

2.47

-11.72

-9.25
15 ILNRPPRPHF

2.54

-11.65

-9.11
16 MLFRPPRHHF

2.57

-11.65

-9.08
17 LLHRPPRRHF

2.8

-11.82

-9.02
18 MLNKPPRRHF

2.37

-11.38

-9.01
19 MLFKPPRRHF

2.36

-11.36

-9.0
20 LLHRPPRHHF

2.48

-11.46

-8.98
21 LLFRPPRHHF

2.57

-11.54

-8.97
22 LLNRPPRPHF

2.83

-11.51

-8.68
23 MLHRPPRPHF

3.24

-11.73

-8.49
24 LLFKPPRRHF

2.52

-10.56

-8.04
25 LLFKPPRPHF

2.56

-10.53

-7.97
26 MLFKPPRPHF

4.01

-5.5

-1.49
27 MLNRPPRHHF

3.38

-3.58

-0.2
28 LLNKPPRPHF

2.58

1.21

3.79
29 ILNRPPRHHF

3.63

1.17

4.8
30 LLNRPPRHHF

2.93

2.68

5.61

 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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