Predicted ligand sequences (modelled structure)


ADAN-name: SHO1_2VKN-28.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 1.080 ΔGbinding -3.271
TOTAL
 -2.191
Backbone Hb -1.912 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.484
Van der Waals -5.393 Backbone clash 0.139
Electrostatics 0.173 Helix dipole 0.000
Solvation Polar 5.818 Water bridges -0.202
Solvation Hyd -7.237 Disulfide 0.000
VdW clashes 0.950 Electrost. Kon 0.101
Entropy sc 1.177 Part.cov.bonds 0.000
Entropy mc

4.682

 ΔGstability

7.911
       

Predicted ligand sequences for model [SHO1_2VKN-28.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).
 
  SHO1_2VKN-28.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPRFPRKSR 0.0
2 RPMRFPRKSR 0.04
3 RPERFPRKSR 0.05
4 RPPRFPRRSR 0.06
5 RDPRFPRKSR 0.07
6 RPMRFPRRSR 0.09
7 RPERFPRRSR 0.1
8 RDMRFPRKSR 0.11
9 RPPRFRRKSR 0.11
10 RDERFPRKSR 0.12
11 RDPRFPRRSR 0.13
12 RPMRFRRKSR 0.15
13 RPERFRRKSR 0.16
14 RDMRFPRRSR 0.16
15 RDERFPRRSR 0.17
16 RPPRFRRRSR 0.17
17 RPPRFIRKSR 0.17
18 RDPRFRRKSR 0.18
19 RPMRFRRRSR 0.2
20 RPMRFIRKSR 0.21
21 RPERFRRRSR 0.21
22 RDMRFRRKSR 0.22
23 RPERFIRKSR 0.22
24 RPPRFIRRSR 0.23
25 RDERFRRKSR 0.23
26 RDPRFIRKSR 0.24
27 RDPRFRRRSR 0.24
28 RPMRFIRRSR 0.26
29 RDMRFRRRSR 0.27
30 RPERFIRRSR 0.27
31 RDERFRRRSR 0.28
32 RDMRFIRKSR 0.28
33 RDERFIRKSR 0.29
34 RDPRFIRRSR 0.3
35 RRPRFPRKSR 0.32
36 RPPRFPRPSR 0.33
37 RDMRFIRRSR 0.33
38 RDERFIRRSR 0.34
39 RRMRFPRKSR 0.35
40 RPMRFPRPSR 0.36
41 RRERFPRKSR 0.36
42 RRPRFPRRSR 0.37
43 RPERFPRPSR 0.38
44 RPPRFPRKDR 0.39
45 RDPRFPRPSR 0.4
46 RRMRFPRRSR 0.41
47 RRERFPRRSR 0.42
48 RPMRFPRKDR 0.43
49 RRPRFRRKSR 0.43
50 RPERFPRKDR 0.44
51 RDMRFPRPSR 0.44
52 RPPRFRRPSR 0.44
53 RPPRFPRRDR 0.45
54 RDERFPRPSR 0.45
55 RPPRFPRKSK 0.46
56 RDPRFPRKDR 0.46
57 RRMRFRRKSR 0.46
58 RPMRFPRRDR 0.48
59 RRERFRRKSR 0.48
60 RPPRPPRKSR 0.48
61 RPMRFRRPSR 0.48
62 RRPRFRRRSR 0.48
63 RPERFPRRDR 0.49
64 RPERFRRPSR 0.49
65 RRPRFIRKSR 0.49
66 RPPRFIRPSR 0.5
67 RPMRFPRKSK 0.5
68 RDMRFPRKDR 0.5
69 RPMRPPRKSR 0.51
70 RDERFPRKDR 0.51
71 RPERFPRKSK 0.51
72 RPPRFRRKDR 0.51
73 RDPRFRRPSR 0.51
74 RDPRFPRRDR 0.52
75 RPPRFPRRSK 0.52
76 RRMRFRRRSR 0.52
77 RPPRPPRRSR 0.53
78 RPERPPRKSR 0.53
79 RDPRFPRKSK 0.53
80 RRMRFIRKSR 0.53
81 RRERFRRRSR 0.53
82 RRERFIRKSR 0.54
83 RPMRFIRPSR 0.54
84 RPMRFRRKDR 0.54
85 RRPRFIRRSR 0.55
86 RPERFIRPSR 0.55
87 RDMRFRRPSR 0.55
88 RPMRFPRRSK 0.55
89 RDMRFPRRDR 0.55
90 RPERFRRKDR 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RPPRFPRKSR

2.12

-20.61

-18.49
2 RPMRFIRRSR

1.5

-19.72

-18.22
3 RPPRFIRRSR

1.74

-19.51

-17.77
4 RPPRFPRRSR

1.43

-18.98

-17.55
5 RPMRFRRRSR

1.71

-19.25

-17.54
6 RPPRFIRKSR

1.93

-19.35

-17.42
7 RPERFPRRSR

1.42

-18.54

-17.12
8 RPERFIRKSR

1.43

-18.37

-16.94
9 RPERFRRKSR

1.82

-18.74

-16.92
10 RPMRFIRKSR

1.58

-18.48

-16.9
11 RPMRFPRKSR

1.5

-18.37

-16.87
12 RDERFPRRSR

1.74

-18.6

-16.86
13 RPMRFPRRSR

1.29

-18.07

-16.78
14 RDPRFPRRSR

2.24

-18.89

-16.65
15 RPPRFRRKSR

2.31

-18.92

-16.61
16 RPPRFRRRSR

1.97

-18.28

-16.31
17 RPERFIRRSR

1.79

-18.02

-16.23
18 RDPRFRRRSR

2.03

-18.15

-16.12
19 RDMRFPRKSR

2.16

-18.27

-16.11
20 RPERFPRKSR

1.56

-17.59

-16.03
21 RDMRFRRRSR

1.92

-17.92

-16.0
22 RDPRFIRKSR

1.58

-17.05

-15.47
23 RDMRFRRKSR

2.36

-17.78

-15.42
24 RDERFPRKSR

1.79

-17.2

-15.41
25 RPMRFRRKSR

2.26

-17.57

-15.31
26 RDPRFPRKSR

1.49

-16.63

-15.14
27 RPERFRRRSR

1.65

-16.47

-14.82
28 RDPRFRRKSR

2.29

-17.1

-14.81
29 RDMRFPRRSR

2.16

-15.39

-13.23
30 RDERFRRKSR

1.96

-14.62

-12.66

 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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