Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-8.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 0.828 ΔGbinding -1.935
TOTAL
 -1.107
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.826
Van der Waals -3.956 Backbone clash 0.007
Electrostatics 0.256 Helix dipole 0.000
Solvation Polar 4.589 Water bridges 0.000
Solvation Hyd -5.009 Disulfide 0.000
VdW clashes 0.148 Electrost. Kon 0.304
Entropy sc 0.972 Part.cov.bonds 0.000
Entropy mc

2.485

 ΔGstability

30.691
       

Predicted ligand sequences for model [RVS167_FYN-SSH-8.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-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 RWRRLRRF 0.0
2 HWRRLRRF 0.0
3 FWRRLRRF 0.03
4 KWRRLRRF 0.03
5 RWRRLRRW 0.09
6 HWRRLRRW 0.09
7 FWRRLRRW 0.11
8 RWRRLRRM 0.11
9 HWRRLRRM 0.11
10 RWRRLRRY 0.12
11 KWRRLRRW 0.12
12 HWRRLRRY 0.13
13 FWRRLRRM 0.14
14 KWRRLRRM 0.14
15 FWRRLRRY 0.15
16 KWRRLRRY 0.15
17 RWRRLPRF 0.39
18 HWRRLPRF 0.39
19 HWRRLMRF 0.4
20 RWRRLMRF 0.4
21 FWRRLPRF 0.42
22 HWIRLRRF 0.42
23 KWRRLPRF 0.42
24 RWIRLRRF 0.42
25 FWRRLMRF 0.43
26 KWRRLMRF 0.43
27 FWIRLRRF 0.45
28 HWPRLRRF 0.45
29 KWIRLRRF 0.45
30 RWPRLRRF 0.45
31 FWPRLRRF 0.47
32 KWPRLRRF 0.48
33 RWRRLPRW 0.48
34 RWRRLMRW 0.48
35 HWRRLPRW 0.48
36 HWRRLMRW 0.49
37 RWRRLPRM 0.5
38 FWRRLPRW 0.5
39 HWRRLPRM 0.5
40 RWRRLPRY 0.51
41 HWRRLMRM 0.51
42 FWRRLMRW 0.51
43 RWRRLMRM 0.51
44 HWIRLRRW 0.51
45 KWRRLPRW 0.51
46 RWIRLRRW 0.51
47 RWRRLMRY 0.52
48 KWRRLMRW 0.52
49 HWRRLPRY 0.52
50 FWIRLRRW 0.53
51 HWRRLMRY 0.53
52 FWRRLPRM 0.53
53 HWPRLRRW 0.53
54 RWPRLRRW 0.53
55 RWIRLRRM 0.53
56 KWRRLPRM 0.53
57 FWRRLPRY 0.54
58 KWIRLRRW 0.54
59 HWIRLRRM 0.54
60 FWRRLMRM 0.54
61 KWRRLMRM 0.54
62 RWIRLRRY 0.54
63 KWRRLPRY 0.54
64 FWRRLMRY 0.55
65 HWIRLRRY 0.55
66 KWRRLMRY 0.55
67 FWPRLRRW 0.56
68 KWPRLRRW 0.56
69 FWIRLRRM 0.56
70 HWPRLRRM 0.56
71 KWIRLRRM 0.56
72 RWPRLRRM 0.56
73 FWIRLRRY 0.57
74 HWPRLRRY 0.57
75 KWIRLRRY 0.57
76 RWPRLRRY 0.57
77 FWPRLRRM 0.58
78 FWPRLRRY 0.59
79 KWPRLRRM 0.59
80 KWPRLRRY 0.6
81 HWIRLPRF 0.81
82 RWIRLPRF 0.81
83 HWIRLMRF 0.82
84 RWIRLMRF 0.82
85 RWPRLPRF 0.83
86 HWPRLPRF 0.84
87 RWPRLMRF 0.84
88 KWIRLPRF 0.84
89 FWIRLPRF 0.84
90 KWIRLMRF 0.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HWRRLMRF

3.35

-9.47

-6.12
2 RWRRLPRF

3.44

-9.53

-6.09
3 KWRRLPRF

3.22

-9.17

-5.95
4 FWRRLPRF

3.06

-8.99

-5.93
5 KWRRLMRF

3.34

-8.68

-5.34
6 HWRRLPRF

3.39

-8.65

-5.26
7 RWRRLMRF

3.25

-8.07

-4.82
8 FWRRLMRF

3.33

-8.04

-4.71
9 RWIRLRRF

3.84

-7.58

-3.74
10 KWRRLRRM

3.18

-6.64

-3.46
11 HWRRLRRW

3.56

-6.81

-3.25
12 FWRRLRRM

3.38

-6.49

-3.11
13 RWRRLRRM

3.04

-5.97

-2.93
14 KWRRLRRF

3.31

-6.11

-2.8
15 HWRRLRRM

3.28

-6.04

-2.76
16 RWRRLRRF

3.16

-5.88

-2.72
17 HWIRLRRF

4.19

-6.6

-2.41
18 FWRRLRRY

3.5

-5.89

-2.39
19 FWRRLRRW

3.37

-5.64

-2.27
20 KWRRLRRY

3.29

-5.52

-2.23
21 FWRRLRRF

3.27

-5.36

-2.09
22 HWRRLRRF

3.39

-5.36

-1.97
23 FWIRLRRF

4.01

-5.89

-1.88
24 HWRRLRRY

3.7

-5.41

-1.71
25 RWRRLRRY

3.95

-5.6

-1.65
26 KWIRLRRF

3.94

-5.32

-1.38
27 HWPRLRRF

3.12

-4.5

-1.38
28 KWRRLRRW

6.26

-7.52

-1.26
29 RWPRLRRF

2.95

-4.04

-1.09
30 RWRRLRRW

5.02

-5.52

-0.5

 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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