Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-16.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
poly-Ala A
A
A
A
A
G
 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 4.025 ΔGbinding -1.149
TOTAL
 2.876
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.860
Van der Waals -3.318 Backbone clash 0.127
Electrostatics 0.196 Helix dipole 0.000
Solvation Polar 2.729 Water bridges 0.013
Solvation Hyd -5.019 Disulfide 0.000
VdW clashes 0.055 Electrost. Kon 0.234
Entropy sc 0.411 Part.cov.bonds 0.000
Entropy mc

3.964

 ΔGstability

26.506
       

Predicted ligand sequences for model [RVS167_FMK-SSH-16.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-16.PDB  

(data)
# Predicted Sequences Value Calculate
1 FPFIRPIWM 0.0
2 FPPIRPIWM 0.01
3 FPYIRPIWM 0.09
4 FPRIRPIWM 0.2
5 FPFIRPIWF 0.21
6 FPPIRPIWF 0.22
7 RPFIRPIWM 0.25
8 RPPIRPIWM 0.26
9 FPPIRPHWM 0.29
10 FPFIRPHWM 0.29
11 FPYIRPIWF 0.29
12 RPYIRPIWM 0.34
13 FPFIRPVWM 0.35
14 FPPIRPVWM 0.36
15 FPYIRPHWM 0.37
16 FPFIRPNWM 0.38
17 FPPIRPNWM 0.39
18 FPRIRPIWF 0.41
19 FPYIRPVWM 0.43
20 RPRIRPIWM 0.45
21 RPFIRPIWF 0.46
22 RPPIRPIWF 0.47
23 FPYIRPNWM 0.47
24 FPFIRPIWY 0.47
25 WPFIRPIWM 0.47
26 FPPIRPIWY 0.48
27 FPRIRPHWM 0.48
28 WPPIRPIWM 0.48
29 FPFIRPHWF 0.49
30 FPPIRPHWF 0.5
31 RPFIRPHWM 0.54
32 RPPIRPHWM 0.54
33 RPYIRPIWF 0.54
34 FPFIRPVWF 0.55
35 FPRIRPVWM 0.55
36 FPYIRPIWY 0.56
37 WPYIRPIWM 0.56
38 FPPIRPVWF 0.56
39 FPYIRPHWF 0.58
40 FPRIRPNWM 0.58
41 FPFIRPNWF 0.59
42 FPPIRPNWF 0.59
43 RPFIRPVWM 0.6
44 RPPIRPVWM 0.61
45 RPYIRPHWM 0.62
46 RPFIRPNWM 0.63
47 FPYIRPVWF 0.64
48 RPPIRPNWM 0.64
49 RPRIRPIWF 0.66
50 FPYIRPNWF 0.67
51 FPRIRPIWY 0.67
52 WPRIRPIWM 0.67
53 RPYIRPVWM 0.68
54 WPPIRPIWF 0.68
55 WPFIRPIWF 0.68
56 FPRIRPHWF 0.69
57 RPFIRPIWY 0.72
58 RPYIRPNWM 0.72
59 RPRIRPHWM 0.73
60 RPPIRPIWY 0.73
61 RPFIRPHWF 0.74
62 WPFIRPHWM 0.75
63 FPRIRPVWF 0.75
64 RPPIRPHWF 0.75
65 WPYIRPIWF 0.76
66 WPPIRPHWM 0.76
67 FPFIRPHWY 0.76
68 FPPIRPHWY 0.77
69 FPRIRPNWF 0.78
70 RPRIRPVWM 0.8
71 RPFIRPVWF 0.8
72 RPPIRPVWF 0.81
73 RPYIRPIWY 0.81
74 FPFIRPVWY 0.82
75 WPFIRPVWM 0.82
76 WPPIRPVWM 0.83
77 FPPIRPVWY 0.83
78 RPYIRPHWF 0.83
79 RPRIRPNWM 0.83
80 WPYIRPHWM 0.84
81 RPPIRPNWF 0.84
82 RPFIRPNWF 0.84
83 FPFIRPNWY 0.85
84 FPYIRPHWY 0.85
85 WPFIRPNWM 0.85
86 FPPIRPNWY 0.86
87 WPPIRPNWM 0.86
88 WPRIRPIWF 0.87
89 RPYIRPVWF 0.89
90 WPYIRPVWM 0.9
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FPFIRPHWF

6.69

-9.12

-2.43
2 FPYIRPIWM

9.91

-10.97

-1.06
3 RPFIRPIWM

9.19

-9.85

-0.66
4 FPYIRPIWF

10.4

-10.99

-0.59
5 FPPIRPHWM

9.13

-9.53

-0.4
6 RPPIRPIWM

9.45

-9.84

-0.39
7 RPFIRPIWF

9.86

-10.08

-0.22
8 FPPIRPIWF

11.08

-11.26

-0.18
9 RPRIRPIWM

9.31

-9.38

-0.07
10 RPYIRPIWM

9.19

-9.23

-0.04
11 FPRIRPIWM

9.12

-9.0

0.12
12 FPPIRPVWM

9.09

-8.9

0.19
13 FPFIRPHWM

9.39

-9.16

0.23
14 FPRIRPHWM

9.63

-9.37

0.26
15 FPFIRPVWM

9.25

-8.96

0.29
16 FPYIRPHWM

9.5

-9.14

0.36
17 FPRIRPIWF

9.55

-9.11

0.44
18 WPPIRPIWM

9.13

-8.65

0.48
19 FPFIRPIWM

9.4

-8.79

0.61
20 FPFIRPIWF

9.76

-9.05

0.71
21 FPPIRPIWM

9.0

-8.24

0.76
22 FPYIRPVWM

9.46

-8.63

0.83
23 RPPIRPIWF

9.69

-8.85

0.84
24 FPPIRPHWF

10.41

-9.56

0.85
25 FPFIRPNWM

8.99

-7.72

1.27
26 FPPIRPNWM

9.4

-8.05

1.35
27 FPYIRPNWM

8.92

-7.32

1.6
28 FPFIRPIWY

9.95

-8.3

1.65
29 FPPIRPIWY

9.59

-7.82

1.77
30 WPFIRPIWM

9.78

-7.91

1.87

 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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