Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-23.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala
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 9.146 ΔGbinding -0.330
TOTAL
 8.816
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.212
Van der Waals -1.780 Backbone clash 0.000
Electrostatics -0.110 Helix dipole 0.000
Solvation Polar 1.949 Water bridges -0.002
Solvation Hyd -2.577 Disulfide 0.000
VdW clashes 1.416 Electrost. Kon -0.163
Entropy sc 0.449 Part.cov.bonds 0.000
Entropy mc

1.551

 ΔGstability

18.475
       

Predicted ligand sequences for model [ABP1_1JO8-23.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).
 
  ABP1_1JO8-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPLGRYP 0.0
2 RPLGPYP 0.05
3 RRLGRYP 0.1
4 RRLGPYP 0.15
5 RPLGRYF 0.16
6 RKLGRYP 0.17
7 RPKGRYP 0.19
8 RPLGPYF 0.21
9 RKLGPYP 0.22
10 RPLGRYY 0.23
11 RPRGRYP 0.23
12 RPKGPYP 0.24
13 RRLGRYF 0.26
14 RPLGKYP 0.27
15 RPLGPYY 0.28
16 RRKGRYP 0.28
17 RPRGPYP 0.28
18 RPLGRFP 0.3
19 RRLGPYF 0.31
20 RRLGRYY 0.32
21 RRRGRYP 0.32
22 RRKGPYP 0.33
23 RKLGRYF 0.33
24 RKKGRYP 0.35
25 RPLGPFP 0.35
26 RPKGRYF 0.35
27 RRLGPYY 0.37
28 RRRGPYP 0.37
29 RRLGKYP 0.37
30 RKLGPYF 0.38
31 RKRGRYP 0.39
32 RPRGRYF 0.39
33 RKLGRYY 0.39
34 RRLGRFP 0.39
35 RKKGPYP 0.4
36 RPKGPYF 0.4
37 RPKGRYY 0.41
38 RPLGRRP 0.42
39 RKLGKYP 0.44
40 RKLGPYY 0.44
41 RKRGPYP 0.44
42 RPLGKYF 0.44
43 RPRGPYF 0.44
44 RRLGPFP 0.44
45 RPRGRYY 0.45
46 RRKGRYF 0.45
47 RPKGKYP 0.46
48 RPKGPYY 0.46
49 RPLGRFF 0.46
50 RKLGRFP 0.46
51 RPLGPRP 0.47
52 RRRGRYF 0.48
53 RPKGRFP 0.48
54 RRKGPYF 0.49
55 RPRGKYP 0.5
56 RPLGKYY 0.5
57 RPRGPYY 0.5
58 RPLGPFF 0.51
59 RRLGRRP 0.51
60 RKLGPFP 0.51
61 RRKGRYY 0.51
62 RPRGRFP 0.52
63 RKKGRYF 0.52
64 RPLGRFY 0.52
65 RPKGPFP 0.53
66 RRRGPYF 0.53
67 RRLGKYF 0.53
68 RKRGRYF 0.55
69 RRLGRFF 0.55
70 RRRGRYY 0.55
71 RRLGPRP 0.56
72 RRKGPYY 0.56
73 RRKGKYP 0.56
74 RKKGPYF 0.56
75 RPRGPFP 0.57
76 RPLGPFY 0.57
77 RPLGKFP 0.57
78 RKLGRRP 0.58
79 RRKGRFP 0.58
80 RPLGRRF 0.58
81 RKKGRYY 0.58
82 RRRGKYP 0.59
83 RRRGPYY 0.59
84 RRLGKYY 0.59
85 RKLGKYF 0.6
86 RKRGPYF 0.6
87 RRLGPFF 0.6
88 RPKGRRP 0.61
89 RKRGRYY 0.61
90 RKLGRFF 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPLGRYY

1.2

-8.38

-7.18
2 RRLGRYY

1.3

-8.35

-7.05
3 RPLGRFP

1.16

-8.18

-7.02
4 RRLGPYY

0.97

-7.95

-6.98
5 RRLGRYP

1.08

-7.75

-6.67
6 RRLGRYF

1.16

-7.49

-6.33
7 RRLGKYP

1.19

-7.52

-6.33
8 RKLGRYP

1.08

-7.4

-6.32
9 RPLGPYP

0.8

-7.04

-6.24
10 RKKGRYP

0.93

-7.09

-6.16
11 RRRGPYP

1.07

-7.11

-6.04
12 RPLGRYP

1.01

-7.0

-5.99
13 RRLGPYP

0.8

-6.78

-5.98
14 RPKGRYF

0.95

-6.81

-5.86
15 RRRGRYP

1.47

-7.29

-5.82
16 RPLGPFP

1.98

-7.64

-5.66
17 RPLGRYF

0.89

-6.5

-5.61
18 RPLGPYY

1.05

-6.55

-5.5
19 RKLGPYP

1.18

-6.57

-5.39
20 RPRGPYP

0.81

-6.11

-5.3
21 RRKGPYP

1.04

-6.34

-5.3
22 RKLGRYF

1.09

-6.37

-5.28
23 RRKGRYP

0.97

-6.22

-5.25
24 RPLGPYF

0.77

-6.02

-5.25
25 RPLGKYP

0.88

-6.07

-5.19
26 RPKGRYP

1.1

-6.21

-5.11
27 RRLGPYF

1.06

-6.15

-5.09
28 RKLGPYF

1.19

-6.25

-5.06
29 RPRGRYP

1.43

-6.34

-4.91
30 RPKGPYP

0.63

-5.52

-4.89

 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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