Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-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 0.751 ΔGbinding -2.956
TOTAL
 -2.205
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.913 Torsional clash 0.460
Van der Waals -3.641 Backbone clash 0.006
Electrostatics 0.149 Helix dipole 0.000
Solvation Polar 4.296 Water bridges -0.003
Solvation Hyd -4.560 Disulfide 0.000
VdW clashes 0.033 Electrost. Kon 0.179
Entropy sc 1.106 Part.cov.bonds 0.000
Entropy mc

2.850

 ΔGstability

31.781
       

Predicted ligand sequences for model [RVS167_FYN-SSH-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).
 
  RVS167_FYN-SSH-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPRIWPWF 0.0
2 FPRKWPWF 0.12
3 FPRIWRWF 0.14
4 FPRIMPWF 0.2
5 FPRIIPWF 0.23
6 FPRIWPWR 0.23
7 FPRIWPWH 0.24
8 FPRIWMWF 0.25
9 FPRKWRWF 0.26
10 FPRIWPMF 0.28
11 RPRIWPWF 0.29
12 KPRIWPWF 0.3
13 FPRKMPWF 0.32
14 FPRIMRWF 0.34
15 FPRKIPWF 0.35
16 FPRIIRWF 0.36
17 FPRKWPWH 0.36
18 FPRKWPWR 0.36
19 FPRIWRWR 0.37
20 FPRKWMWF 0.37
21 FPRIWRWH 0.38
22 FPRKWPMF 0.4
23 FPRIWPFF 0.41
24 RPRKWPWF 0.41
25 FPRIWRMF 0.42
26 KPRKWPWF 0.42
27 RPRIWRWF 0.42
28 FPRIMPWR 0.43
29 FPRIMPWH 0.44
30 FPRVWPWF 0.44
31 KPRIWRWF 0.44
32 FPRIMMWF 0.45
33 FPRIIPWR 0.46
34 FPRKMRWF 0.46
35 FPRIIPWH 0.47
36 FPRIIMWF 0.47
37 FPRIWMWR 0.48
38 FPRIMPMF 0.48
39 RPRIMPWF 0.49
40 FPRKWRWR 0.49
41 FPRIWMWH 0.49
42 FPRKIRWF 0.49
43 KPRIMPWF 0.5
44 FPRKWRWH 0.5
45 FPRIIPMF 0.51
46 RPRIIPWF 0.51
47 RPRIWPWR 0.52
48 FPRIWPMR 0.52
49 FPRIWPMH 0.52
50 FPRKWPFF 0.53
51 KPRIIPWF 0.53
52 RPRIWPWH 0.53
53 FPRIWMMF 0.53
54 RPRIWMWF 0.53
55 KPRIWPWR 0.54
56 KPRIWPWH 0.54
57 FPRKWRMF 0.54
58 KPRIWMWF 0.55
59 FPRIWRFF 0.55
60 RPRKWRWF 0.55
61 FPRKMPWH 0.56
62 FPRKMPWR 0.56
63 KPRKWRWF 0.56
64 FPRKMMWF 0.57
65 FPRVWRWF 0.57
66 RPRIWPMF 0.57
67 FPRIMRWR 0.57
68 FPRKIPWR 0.58
69 KPRIWPMF 0.58
70 FPRIMRWH 0.58
71 FPRKIPWH 0.59
72 FPRIIRWR 0.6
73 FPRIIRWH 0.6
74 FPRKIMWF 0.6
75 FPRKWMWR 0.6
76 FPRKMPMF 0.6
77 RPRKMPWF 0.61
78 FPRIMPFF 0.61
79 FPRKWMWH 0.61
80 RPRIMRWF 0.62
81 FPRIMRMF 0.62
82 KPRKMPWF 0.62
83 FPRKIPMF 0.63
84 FPRKWPMR 0.64
85 FPRKWPMH 0.64
86 FPRIIPFF 0.64
87 RPRKIPWF 0.64
88 KPRIMRWF 0.64
89 FPRVMPWF 0.64
90 RPRKWPWR 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPRKIPWF

2.43

-10.18

-7.75
2 FPRIMPWR

4.41

-11.91

-7.5
3 FPRIMPWF

2.82

-10.23

-7.41
4 FPRIIRWF

4.6

-10.95

-6.35
5 FPRIMRWF

5.09

-10.72

-5.63
6 FPRKMPWF

2.93

-8.43

-5.5
7 FPRIMPWH

3.75

-9.23

-5.48
8 FPRIWPMF

2.42

-7.72

-5.3
9 FPRIWRWH

4.97

-10.21

-5.24
10 FPRKWPWH

5.21

-10.15

-4.94
11 FPRIWPFF

3.59

-8.36

-4.77
12 FPRIIPWF

4.71

-9.45

-4.74
13 FPRIWRWR

4.8

-9.5

-4.7
14 FPRIWPWR

4.98

-9.67

-4.69
15 RPRIWRWF

4.49

-9.15

-4.66
16 FPRKWPMF

3.82

-8.2

-4.38
17 FPRVWPWF

5.45

-9.64

-4.19
18 FPRIWPWF

4.11

-7.9

-3.79
19 FPRKWMWF

3.41

-6.99

-3.58
20 FPRKWPWR

4.6

-8.14

-3.54
21 FPRIWRMF

3.61

-7.12

-3.51
22 FPRIWPWH

4.49

-7.85

-3.36
23 FPRIWRWF

3.82

-6.96

-3.14
24 FPRIWMWF

3.92

-6.95

-3.03
25 FPRKWRWF

4.94

-7.72

-2.78
26 RPRKWPWF

3.81

-6.27

-2.46
27 FPRKWPWF

3.62

-4.78

-1.16
28 RPRIWPWF

4.58

-5.63

-1.05
29 KPRIWPWF

5.46

-6.35

-0.89
30 KPRKWPWF

4.25

-4.53

-0.28

 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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