Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-9.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 1.357 ΔGbinding -2.905
TOTAL
 -1.548
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.380
Van der Waals -2.938 Backbone clash 0.116
Electrostatics -0.086 Helix dipole 0.000
Solvation Polar 2.883 Water bridges -0.062
Solvation Hyd -4.443 Disulfide 0.000
VdW clashes 0.061 Electrost. Kon -0.159
Entropy sc 0.460 Part.cov.bonds 0.000
Entropy mc

2.274

 ΔGstability

22.403
       

Predicted ligand sequences for model [NBP2_1SEM-9.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-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRPRPPFY 0.0
2 RRRRPPFY 0.12
3 RRWRPPFY 0.13
4 RRPRPPRY 0.15
5 RRPRPPMY 0.16
6 RRPRPRFY 0.24
7 RRPRPLFY 0.26
8 RRWRPPRY 0.28
9 RRRRPPMY 0.28
10 RRRRPPRY 0.28
11 RRWRPPMY 0.29
12 RRPRIPFY 0.34
13 RRRRPRFY 0.36
14 RRWRPRFY 0.37
15 RRWRPLFY 0.39
16 RRPRPRRY 0.39
17 RRRRPLFY 0.39
18 RRPRPRMY 0.4
19 RRPRPLRY 0.42
20 RRPRPLMY 0.42
21 RRRRIPFY 0.46
22 RRWRIPFY 0.47
23 RRPRPPFW 0.49
24 RRPRIPRY 0.49
25 RRPRIPMY 0.5
26 RRWRPRRY 0.52
27 RRRRPRRY 0.52
28 RRRRPRMY 0.52
29 RRWRPRMY 0.52
30 RRRRPLRY 0.54
31 RRRRPLMY 0.54
32 RRWRPLRY 0.55
33 RRWRPLMY 0.55
34 RRPRIRFY 0.58
35 RRPRILFY 0.6
36 RRRRPPFW 0.61
37 RRWRIPMY 0.62
38 RRRRIPRY 0.62
39 RRRRIPMY 0.62
40 RRWRIPRY 0.62
41 RRWRPPFW 0.62
42 RRPRPPMW 0.65
43 RRPRPPRW 0.65
44 RRRRIRFY 0.7
45 RRWRIRFY 0.71
46 RRPRPRFW 0.73
47 RRRRILFY 0.73
48 RRWRILFY 0.73
49 RRPRIRRY 0.73
50 RRPRIRMY 0.74
51 RRPRPLFW 0.75
52 RRPRILMY 0.76
53 RRPRILRY 0.76
54 RRWRPPRW 0.77
55 RRRRPPMW 0.77
56 RRRRPPRW 0.77
57 RRWRPPMW 0.78
58 RRPRIPFW 0.83
59 RRRRPRFW 0.85
60 RRRRIRMY 0.86
61 RRWRIRMY 0.86
62 RRWRPRFW 0.86
63 RRWRIRRY 0.86
64 RRRRIRRY 0.86
65 RRRRILRY 0.88
66 RRWRPLFW 0.88
67 RRRRILMY 0.88
68 RRPRPRRW 0.88
69 RRRRPLFW 0.88
70 RRWRILMY 0.89
71 RRWRILRY 0.89
72 RRPRPRMW 0.89
73 RRPRPLRW 0.91
74 RRPRPLMW 0.91
75 RRWRIPFW 0.96
76 RRRRIPFW 0.96
77 RRPRIPMW 0.99
78 RRPRIPRW 0.99
79 RRWRPRRW 1.01
80 RRRRPRRW 1.01
81 RRRRPRMW 1.01
82 RRWRPRMW 1.01
83 RRRRPLRW 1.03
84 RRRRPLMW 1.03
85 RRWRPLRW 1.04
86 RRWRPLMW 1.04
87 RRPRIRFW 1.07
88 RRPRILFW 1.09
89 RRRRIPRW 1.11
90 RRRRIPMW 1.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RRWRPRMY

1.52

-15.2

-13.68
2 RRPRPPFY

1.37

-14.52

-13.15
3 RRPRPPFW

1.36

-14.45

-13.09
4 RRWRPPMY

1.77

-14.58

-12.81
5 RRWRPLFY

1.17

-13.95

-12.78
6 RRPRPRFY

1.15

-13.86

-12.71
7 RRWRPRFY

1.24

-13.94

-12.7
8 RRPRPRRY

1.85

-14.5

-12.65
9 RRRRPRMY

1.2

-13.85

-12.65
10 RRPRPLFY

1.0

-13.61

-12.61
11 RRPRIPMY

1.18

-13.79

-12.61
12 RRWRPRRY

2.24

-14.77

-12.53
13 RRRRPPFY

1.57

-14.01

-12.44
14 RRRRIPFY

1.92

-14.14

-12.22
15 RRRRPLFY

1.66

-13.73

-12.07
16 RRRRPRFY

1.32

-13.21

-11.89
17 RRPRPLMY

1.25

-13.1

-11.85
18 RRPRPPRY

1.6

-13.13

-11.53
19 RRWRPPRY

1.59

-12.95

-11.36
20 RRRRPPMY

1.09

-12.23

-11.14
21 RRRRPPRY

1.39

-12.52

-11.13
22 RRPRIPRY

2.02

-13.14

-11.12
23 RRWRIPFY

1.69

-12.77

-11.08
24 RRRRPLRY

1.33

-12.18

-10.85
25 RRPRPRMY

2.62

-13.46

-10.84
26 RRPRPPMY

1.18

-11.85

-10.67
27 RRPRIPFY

1.17

-11.28

-10.11
28 RRPRPLRY

1.84

-11.13

-9.29
29 RRWRPPFY

3.02

-12.28

-9.26
30 RRRRPRRY

1.96

-10.85

-8.89

 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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