Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FYN-SSH-7.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
G
 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 0.696 ΔGbinding -3.154
TOTAL
 -2.458
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.258
Van der Waals -2.908 Backbone clash 0.007
Electrostatics 0.116 Helix dipole 0.000
Solvation Polar 3.264 Water bridges -0.028
Solvation Hyd -3.816 Disulfide 0.000
VdW clashes 0.029 Electrost. Kon 0.170
Entropy sc 0.714 Part.cov.bonds 0.000
Entropy mc

1.597

 ΔGstability

30.001
       

Predicted ligand sequences for model [RVS167_FYN-SSH-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRPLRPWR 0.0
2 MRDLRPWR 0.06
3 MMPLRPWR 0.11
4 YRPLRPWR 0.14
5 MMDLRPWR 0.17
6 YRDLRPWR 0.2
7 MRPLRRWR 0.21
8 MRPLRKWR 0.23
9 YMPLRPWR 0.24
10 MRHLRPWR 0.27
11 MRPLRPWK 0.27
12 MRDLRRWR 0.28
13 MRDLRKWR 0.29
14 YMDLRPWR 0.31
15 MRPLRPWH 0.31
16 MMPLRRWR 0.32
17 MRDLRPWK 0.34
18 MMPLRKWR 0.34
19 YRPLRRWR 0.35
20 YRPLRKWR 0.36
21 MMHLRPWR 0.38
22 MRDLRPWH 0.38
23 MMPLRPWK 0.38
24 MMDLRRWR 0.39
25 MMDLRKWR 0.4
26 YRPLRPWK 0.41
27 YRHLRPWR 0.41
28 YRDLRRWR 0.42
29 MMPLRPWH 0.42
30 YRDLRKWR 0.43
31 MMDLRPWK 0.44
32 YRPLRPWH 0.45
33 YMPLRRWR 0.46
34 YRDLRPWK 0.47
35 YMPLRKWR 0.47
36 WRPLRPWR 0.47
37 MMDLRPWH 0.48
38 MRHLRRWR 0.48
39 MRPLRRWK 0.49
40 MRPLRKWK 0.5
41 MRHLRKWR 0.5
42 YRDLRPWH 0.51
43 YMHLRPWR 0.51
44 YMDLRRWR 0.52
45 YMPLRPWK 0.52
46 MRPLRRWH 0.53
47 WRDLRPWR 0.53
48 MRPLRKWH 0.54
49 MRHLRPWK 0.54
50 YMDLRKWR 0.54
51 MRDLRRWK 0.55
52 YMPLRPWH 0.56
53 MRDLRKWK 0.56
54 WMPLRPWR 0.58
55 YMDLRPWK 0.58
56 MRHLRPWH 0.58
57 MMHLRRWR 0.59
58 MRDLRRWH 0.59
59 MMPLRRWK 0.59
60 MMHLRKWR 0.6
61 MRDLRKWH 0.6
62 MMPLRKWK 0.61
63 YMDLRPWH 0.62
64 YRPLRRWK 0.62
65 YRHLRRWR 0.62
66 YRHLRKWR 0.63
67 WMDLRPWR 0.64
68 YRPLRKWK 0.64
69 MMPLRRWH 0.64
70 MMHLRPWK 0.65
71 MMPLRKWH 0.65
72 MMDLRRWK 0.66
73 YRPLRRWH 0.67
74 MMDLRKWK 0.67
75 YRPLRKWH 0.68
76 YRHLRPWK 0.68
77 MMHLRPWH 0.69
78 YRDLRRWK 0.69
79 WRPLRRWR 0.69
80 YRDLRKWK 0.7
81 WRPLRKWR 0.7
82 MMDLRRWH 0.7
83 MMDLRKWH 0.71
84 YRHLRPWH 0.72
85 YRDLRRWH 0.73
86 YMHLRRWR 0.73
87 YMPLRRWK 0.73
88 YMHLRKWR 0.74
89 YRDLRKWH 0.74
90 YMPLRKWK 0.74
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MMPLRPWH

3.65

-12.03

-8.38
2 MMDLRKWR

3.3

-11.14

-7.84
3 MRPLRPWH

1.68

-9.49

-7.81
4 YMDLRPWR

1.99

-9.75

-7.76
5 MMPLRPWK

3.64

-11.36

-7.72
6 MRPLRKWR

1.55

-9.25

-7.7
7 MMPLRPWR

3.64

-11.24

-7.6
8 MRDLRPWR

1.68

-9.28

-7.6
9 MRPLRPWR

3.17

-10.76

-7.59
10 MMPLRKWR

3.44

-11.03

-7.59
11 YMPLRPWR

3.89

-11.14

-7.25
12 YRPLRPWR

1.77

-8.82

-7.05
13 MMDLRRWR

1.99

-9.04

-7.05
14 MMPLRRWR

3.88

-10.89

-7.01
15 MMDLRPWR

3.96

-10.97

-7.01
16 MRHLRPWR

3.29

-10.06

-6.77
17 MRPLRPWK

2.39

-8.96

-6.57
18 MRDLRPWK

3.45

-9.98

-6.53
19 MMHLRPWR

4.09

-10.62

-6.53
20 YRPLRKWR

1.84

-8.27

-6.43
21 YRDLRPWR

3.55

-9.94

-6.39
22 YRPLRPWK

3.13

-9.45

-6.32
23 YRDLRKWR

3.27

-9.35

-6.08
24 YRHLRPWR

3.23

-9.3

-6.07
25 MRDLRPWH

1.8

-7.78

-5.98
26 MRPLRRWR

2.38

-8.19

-5.81
27 MRDLRKWR

4.19

-9.49

-5.3
28 YRPLRRWR

4.15

-9.1

-4.95
29 MRDLRRWR

4.92

-9.66

-4.74
30 YRDLRRWR

3.52

-8.0

-4.48

 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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