Predicted ligand sequences (modelled structure)


ADAN-name: RVS167_FMK-SSH-25.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
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 0.544 ΔGbinding -1.896
TOTAL
 -1.352
Backbone Hb -1.913 Cis_bond 0.000
Sidechain Hb -1.912 Torsional clash 0.454
Van der Waals -3.853 Backbone clash 0.006
Electrostatics 0.187 Helix dipole 0.000
Solvation Polar 4.634 Water bridges -0.011
Solvation Hyd -4.958 Disulfide 0.000
VdW clashes 0.113 Electrost. Kon 0.233
Entropy sc 1.125 Part.cov.bonds 0.000
Entropy mc

4.006

 ΔGstability

24.092
       

Predicted ligand sequences for model [RVS167_FMK-SSH-25.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-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 HYPRLPYFF 0.0
2 HYPRMPYFF 0.01
3 KYPRLPYFF 0.02
4 RYPRLPYFF 0.02
5 HYPRLPYFN 0.02
6 RYPRMPYFF 0.03
7 HYPRMPYFN 0.03
8 KYPRMPYFF 0.03
9 KYPRLPYFN 0.04
10 RYPRLPYFN 0.04
11 RYPRMPYFN 0.05
12 KYPRMPYFN 0.05
13 HYPYLPYFF 0.07
14 HYPYMPYFF 0.08
15 HYPYLPYFN 0.09
16 RYPYLPYFF 0.09
17 KYPYLPYFF 0.09
18 RYPYMPYFF 0.1
19 HYPYMPYFN 0.1
20 KYPYMPYFF 0.1
21 RYPYLPYFN 0.11
22 KYPYLPYFN 0.11
23 RYPYMPYFN 0.12
24 KYPYMPYFN 0.12
25 HYPRKPYFF 0.15
26 HYPRLPYFY 0.16
27 HYPRKPYFN 0.17
28 RYPRKPYFF 0.17
29 HYPRLPRFF 0.17
30 KYPRKPYFF 0.17
31 HYPRMPYFY 0.17
32 KYPRLPYFY 0.18
33 RYPRLPYFY 0.18
34 HYPRMPRFF 0.18
35 HYPRLPRFN 0.19
36 RYPRMPYFY 0.19
37 RYPRKPYFN 0.19
38 KYPRMPYFY 0.19
39 KYPRKPYFN 0.19
40 KYPRLPRFF 0.19
41 RYPRLPRFF 0.19
42 HYPRMPRFN 0.2
43 RYPRMPRFF 0.2
44 KYPRMPRFF 0.2
45 KYPRLPRFN 0.21
46 RYPRLPRFN 0.21
47 RYPRMPRFN 0.22
48 HYPYKPYFF 0.22
49 KYPRMPRFN 0.22
50 HYPYLPYFY 0.23
51 HYPYMPYFY 0.24
52 RYPYKPYFF 0.24
53 HYPYKPYFN 0.24
54 HYPYLPRFF 0.24
55 KYPYKPYFF 0.24
56 RYPYLPYFY 0.25
57 KYPYLPYFY 0.25
58 HYPYMPRFF 0.25
59 KYPYLPRFF 0.26
60 RYPYMPYFY 0.26
61 RYPYKPYFN 0.26
62 HYPRLPPFF 0.26
63 HYPYLPRFN 0.26
64 KYPYMPYFY 0.26
65 KYPYKPYFN 0.26
66 RYPYLPRFF 0.26
67 KYPYMPRFF 0.27
68 RYPYMPRFF 0.27
69 HYPYMPRFN 0.27
70 HYPRMPPFF 0.27
71 KYPYLPRFN 0.28
72 KYPRLPPFF 0.28
73 HYPRLPPFN 0.28
74 RYPYLPRFN 0.28
75 RYPRLPPFF 0.28
76 HYPRMPPFN 0.28
77 KYPRMPPFF 0.29
78 KYPYMPRFN 0.29
79 KYPRLPPFN 0.29
80 RYPRMPPFF 0.29
81 RYPYMPRFN 0.29
82 KYPRMPPFN 0.3
83 RYPRLPPFN 0.3
84 HYPRKPYFY 0.31
85 RYPRMPPFN 0.31
86 HYPRKPRFF 0.32
87 HYPRLPRFY 0.33
88 HYPYLPPFF 0.33
89 RYPRKPYFY 0.33
90 KYPRKPYFY 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KYPRMPYFN

2.8

-14.28

-11.48
2 RYPRLPYFF

2.72

-13.42

-10.7
3 RYPRMPYFN

2.69

-12.84

-10.15
4 HYPRKPYFN

3.47

-13.61

-10.14
5 HYPRLPRFF

2.8

-12.59

-9.79
6 RYPRLPYFN

4.02

-13.67

-9.65
7 RYPYMPYFF

1.74

-11.29

-9.55
8 KYPYMPYFF

1.93

-11.27

-9.34
9 RYPYMPYFN

3.61

-12.89

-9.28
10 RYPRMPYFF

3.47

-12.75

-9.28
11 HYPYLPYFF

1.68

-10.6

-8.92
12 HYPYMPYFF

1.9

-10.81

-8.91
13 KYPYMPYFN

3.7

-12.61

-8.91
14 HYPRMPYFF

2.42

-11.32

-8.9
15 RYPRKPYFF

1.81

-10.62

-8.81
16 KYPRKPYFF

1.61

-10.41

-8.8
17 KYPRLPYFF

1.91

-10.57

-8.66
18 HYPRMPYFN

3.65

-12.3

-8.65
19 HYPYMPYFN

2.16

-10.77

-8.61
20 HYPYLPYFN

2.86

-11.41

-8.55
21 HYPRLPYFN

3.11

-11.59

-8.48
22 RYPYLPYFN

3.79

-12.17

-8.38
23 RYPYLPYFF

1.98

-10.3

-8.32
24 KYPYLPYFN

3.79

-12.1

-8.31
25 HYPRKPYFF

1.67

-9.85

-8.18
26 KYPRMPYFF

2.32

-10.49

-8.17
27 HYPRLPYFY

1.67

-9.83

-8.16
28 KYPRLPYFN

3.9

-11.96

-8.06
29 KYPYLPYFF

2.33

-10.06

-7.73
30 HYPRLPYFF

3.61

-10.45

-6.84

 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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