Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1GCQ-19.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
poly-Ala
A
A
 A A A
G
 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 3.290 ΔGbinding -0.080
TOTAL
 3.210
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.636
Van der Waals -4.817 Backbone clash 0.013
Electrostatics 0.145 Helix dipole 0.000
Solvation Polar 4.499 Water bridges -0.009
Solvation Hyd -7.471 Disulfide 0.000
VdW clashes 3.864 Electrost. Kon 0.004
Entropy sc 0.640 Part.cov.bonds 0.000
Entropy mc

3.703

 ΔGstability

41.900
       

Predicted ligand sequences for model [NBP2_1GCQ-19.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-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRSKMGFHW 0.0
2 RRSKPGFHW 0.03
3 RRSKRGFHW 0.03
4 RRSKMGFHY 0.04
5 RRSKPGFHY 0.07
6 RRSKRGFHY 0.07
7 RRSRMGFHW 0.1
8 RRSRRGFHW 0.13
9 RRSRMGFHY 0.14
10 RRSRPGFHW 0.14
11 RRSIMGFHW 0.15
12 RRSRRGFHY 0.17
13 RRSRPGFHY 0.17
14 RRSIPGFHW 0.18
15 RRSIRGFHW 0.18
16 RRSIMGFHY 0.19
17 RRSIPGFHY 0.22
18 RRSIRGFHY 0.22
19 RRSKMGFHF 0.3
20 RRSKPGFHF 0.33
21 RRSKRGFHF 0.33
22 RRSKMGWHW 0.37
23 RRSRMGFHF 0.4
24 RRSKRGWHW 0.4
25 RRSKPGWHW 0.4
26 RRSKMGWHY 0.41
27 RRFKMGFHW 0.42
28 RRSRRGFHF 0.43
29 RRSRPGFHF 0.43
30 RRSKRGWHY 0.43
31 RRFKRGFHW 0.44
32 RRSKPGWHY 0.44
33 RRFKMGFHY 0.45
34 RRSIMGFHF 0.45
35 RRFKPGFHW 0.45
36 RRSKMGFWW 0.45
37 RRSRMGWHW 0.47
38 RRSIPGFHF 0.48
39 RRSKRGFWW 0.48
40 RRFKPGFHY 0.48
41 RRSKPGFWW 0.48
42 RRFKRGFHY 0.48
43 RRSIRGFHF 0.48
44 KRSKMGFHW 0.49
45 RRSKMGLHW 0.49
46 RRSKMGFWY 0.49
47 RRKKMGFHW 0.5
48 RRSRRGWHW 0.5
49 RRSRPGWHW 0.5
50 RRSRMGWHY 0.51
51 RRSKRGLHW 0.52
52 RRSKRGFWY 0.52
53 KRSKRGFHW 0.52
54 RRSKPGFWY 0.52
55 RRFRMGFHW 0.52
56 KRSKPGFHW 0.52
57 RRSIMGWHW 0.52
58 KRSKMGFHY 0.53
59 RRSKMGLHY 0.53
60 RRKKPGFHW 0.53
61 RRSKPGLHW 0.53
62 RRKKRGFHW 0.53
63 RRKKMGFHY 0.54
64 RRSRRGWHY 0.54
65 RRSRPGWHY 0.54
66 RRFRPGFHW 0.55
67 RRFRRGFHW 0.55
68 RRSIPGWHW 0.55
69 RRSIRGWHW 0.55
70 RRSKRGLHY 0.56
71 KRSKRGFHY 0.56
72 RRSKPGLHY 0.56
73 RRSRMGFWW 0.56
74 RRKKRGFHY 0.56
75 RRFRMGFHY 0.56
76 KRSKPGFHY 0.56
77 RRSIMGWHY 0.56
78 RRKKPGFHY 0.57
79 RRFIMGFHW 0.57
80 RRSRPGFWW 0.58
81 RRSRRGFWW 0.58
82 RRFRPGFHY 0.59
83 RRFRRGFHY 0.59
84 RRSRMGFWY 0.59
85 RRSIPGWHY 0.59
86 RRSIRGWHY 0.59
87 RRSIMGFWW 0.6
88 RRFIPGFHW 0.6
89 RRKRMGFHW 0.6
90 RRFIRGFHW 0.6
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRSRPGFHW

4.5

-14.64

-10.14
2 RRSRMGFHF

3.04

-11.1

-8.06
3 RRSRRGFHY

3.79

-11.84

-8.05
4 RRSRRGFHF

2.38

-9.97

-7.59
5 RRSIPGFHY

2.98

-9.54

-6.56
6 RRSKRGFHY

2.77

-8.87

-6.1
7 RRSKMGFHY

4.07

-9.96

-5.89
8 RRSRPGFHY

2.75

-8.6

-5.85
9 RRSKPGFHY

3.51

-9.24

-5.73
10 RRSKRGWHY

2.29

-7.96

-5.67
11 RRSIMGFHY

3.17

-8.75

-5.58
12 RRSKRGFHF

3.2

-8.53

-5.33
13 RRSKRGFHW

2.83

-8.09

-5.26
14 RRSRPGFHF

3.62

-8.86

-5.24
15 RRSIRGFHY

2.82

-7.72

-4.9
16 RRSRRGFHW

4.11

-8.99

-4.88
17 RRSKRGWHW

3.68

-8.51

-4.83
18 RRSKPGFHW

2.84

-7.64

-4.8
19 RRSRMGFHY

2.09

-6.81

-4.72
20 RRSKPGWHW

3.89

-8.36

-4.47
21 RRSKPGFHF

2.62

-7.05

-4.43
22 RRSKMGFHF

2.38

-6.74

-4.36
23 RRSKMGWHY

2.51

-6.3

-3.79
24 RRSRMGFHW

3.18

-6.95

-3.77
25 RRFKMGFHW

4.0

-7.67

-3.67
26 RRSIRGFHW

4.32

-7.98

-3.66
27 RRSIMGFHW

3.92

-7.57

-3.65
28 RRSKMGFHW

2.95

-6.32

-3.37
29 RRSKMGWHW

3.42

-5.98

-2.56
30 RRSIPGFHW

3.29

-5.18

-1.89

 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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