Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-18.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
G
 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 3.991 ΔGbinding -2.303
TOTAL
 1.688
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.920
Van der Waals -3.256 Backbone clash 0.739
Electrostatics 0.125 Helix dipole 0.000
Solvation Polar 2.727 Water bridges -0.015
Solvation Hyd -4.904 Disulfide 0.000
VdW clashes 0.099 Electrost. Kon 0.144
Entropy sc 0.404 Part.cov.bonds 0.000
Entropy mc

2.729

 ΔGstability

25.116
       

Predicted ligand sequences for model [RVS167_FMK-SSH-18.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_FMK-SSH-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFIRPIMFW 0.0
2 FPFIRPIWFW 0.01
3 FPFIRPIWWW 0.04
4 FPFIRPIMWW 0.04
5 FPPIRPIMFW 0.05
6 FPPIRPIWFW 0.06
7 FPYIRPIMFW 0.06
8 FPYIRPIWFW 0.07
9 RPFIRPIMFW 0.09
10 FPPIRPIMWW 0.09
11 FPYIRPIMWW 0.1
12 RPFIRPIWFW 0.1
13 FPPIRPIWWW 0.1
14 FPYIRPIWWW 0.11
15 RPFIRPIMWW 0.13
16 RPPIRPIMFW 0.14
17 FPFIRPIMYW 0.14
18 RPFIRPIWWW 0.14
19 FPFIRPIWYW 0.15
20 RPYIRPIMFW 0.15
21 RPPIRPIWFW 0.15
22 FPFIRPHMFW 0.15
23 FPFIRPHWFW 0.16
24 RPYIRPIWFW 0.16
25 RPPIRPIMWW 0.18
26 FPPIRPIMYW 0.19
27 RPPIRPIWWW 0.19
28 RPYIRPIWWW 0.2
29 RPYIRPIMWW 0.2
30 FPFIRPHWWW 0.2
31 FPYIRPIMYW 0.2
32 FPFIRPHMWW 0.2
33 FPPIRPIWYW 0.2
34 FPPIRPHMFW 0.21
35 FPPIRPHWFW 0.21
36 FPYIRPIWYW 0.21
37 FPYIRPHMFW 0.22
38 FPYIRPHWFW 0.22
39 HPFIRPIMFW 0.22
40 HPFIRPIWFW 0.23
41 RPFIRPIMYW 0.23
42 RPFIRPIWYW 0.24
43 FPPIRPHMWW 0.25
44 FPPIRPHWWW 0.25
45 RPFIRPHWFW 0.25
46 RPFIRPHMFW 0.25
47 FPYIRPHWWW 0.26
48 FPYIRPHMWW 0.26
49 HPFIRPIMWW 0.26
50 HPPIRPIMFW 0.27
51 HPFIRPIWWW 0.27
52 HPPIRPIWFW 0.28
53 FPFIRPVWFW 0.29
54 HPYIRPIMFW 0.29
55 HPYIRPIWFW 0.29
56 FPFIRPVMFW 0.29
57 RPFIRPHWWW 0.29
58 RPPIRPIMYW 0.29
59 RPFIRPHMWW 0.29
60 RPPIRPIWYW 0.29
61 FPFIRPHMYW 0.3
62 FPFIRPHWYW 0.3
63 RPPIRPHWFW 0.3
64 RPYIRPIWYW 0.3
65 RPYIRPIMYW 0.3
66 RPPIRPHMFW 0.3
67 RPYIRPHMFW 0.31
68 HPPIRPIMWW 0.31
69 HPPIRPIWWW 0.32
70 RPYIRPHWFW 0.32
71 FPFIRPVMWW 0.33
72 HPYIRPIMWW 0.33
73 HPYIRPIWWW 0.33
74 FPFIRPVWWW 0.33
75 RPPIRPHWWW 0.34
76 FPPIRPVMFW 0.34
77 RPPIRPHMWW 0.34
78 FPPIRPVWFW 0.34
79 RPYIRPHMWW 0.35
80 RPYIRPHWWW 0.35
81 FPYIRPVMFW 0.35
82 FPPIRPHWYW 0.35
83 FPPIRPHMYW 0.35
84 FPYIRPVWFW 0.35
85 HPFIRPIMYW 0.36
86 FPYIRPHWYW 0.36
87 FPYIRPHMYW 0.36
88 HPFIRPIWYW 0.37
89 FPPIRPVMWW 0.38
90 RPFIRPVWFW 0.38
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FPPIRPIMFW

6.05

-9.08

-3.03
2 FPYIRPIMFW

6.37

-9.03

-2.66
3 RPYIRPIMFW

6.33

-8.84

-2.51
4 FPFIRPIWWW

6.41

-8.27

-1.86
5 FPFIRPIMFW

6.56

-8.41

-1.85
6 RPFIRPIMWW

6.93

-8.28

-1.35
7 RPYIRPIWWW

6.54

-7.59

-1.05
8 RPFIRPIMFW

9.21

-9.04

0.17
9 FPFIRPHWWW

8.7

-8.42

0.28
10 RPPIRPIMFW

9.42

-9.03

0.39
11 FPPIRPIMYW

9.49

-9.02

0.47
12 RPPIRPIMWW

9.3

-8.81

0.49
13 FPFIRPHWFW

9.27

-8.67

0.6
14 FPPIRPIMWW

10.02

-9.4

0.62
15 RPYIRPIWFW

9.65

-8.85

0.8
16 FPYIRPIWWW

9.15

-8.31

0.84
17 RPYIRPIMWW

9.73

-8.85

0.88
18 FPFIRPHMFW

9.65

-8.75

0.9
19 FPYIRPIWFW

9.41

-8.43

0.98
20 FPYIRPIMWW

9.9

-8.91

0.99
21 FPFIRPIMYW

9.71

-8.58

1.13
22 FPPIRPIWWW

9.79

-8.55

1.24
23 RPPIRPIWFW

9.64

-8.25

1.39
24 FPPIRPIWFW

9.72

-8.33

1.39
25 RPPIRPIWWW

9.67

-8.27

1.4
26 FPFIRPIWFW

9.63

-8.11

1.52
27 FPFIRPIWYW

9.51

-7.79

1.72
28 RPFIRPIWFW

9.81

-8.04

1.77
29 FPFIRPIMWW

10.37

-8.59

1.78
30 RPFIRPIWWW

10.04

-7.63

2.41

 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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