Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-18.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 4.124 ΔGbinding 1.963
TOTAL
 6.087
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.223
Van der Waals -3.422 Backbone clash 1.092
Electrostatics 0.152 Helix dipole 0.000
Solvation Polar 3.197 Water bridges 0.005
Solvation Hyd -5.006 Disulfide 0.000
VdW clashes 2.960 Electrost. Kon 0.173
Entropy sc 0.327 Part.cov.bonds 0.000
Entropy mc

2.353

 ΔGstability

18.824
       

Predicted ligand sequences for model [YSC84_2A08-18.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).
 
  YSC84_2A08-18.PDB  

(data)
# Predicted Sequences Value Calculate
1 YFRIHSIRGR 0.0
2 FFRIHSIRGR 0.01
3 YFRIHGIRGR 0.19
4 YFRLHSIRGR 0.2
5 FFRIHGIRGR 0.2
6 YFRIYSIRGR 0.2
7 FFRLHSIRGR 0.21
8 FFRIYSIRGR 0.21
9 YFRIHSHRGR 0.32
10 FFRIKSIRGR 0.33
11 FFRIHSHRGR 0.33
12 YFRIKSIRGR 0.33
13 YFRIYGIRGR 0.39
14 FFRIYGIRGR 0.4
15 FFRLHGIRGR 0.4
16 YFRLHGIRGR 0.4
17 YFRLYSIRGR 0.41
18 FFRLYSIRGR 0.42
19 YFRIHSRRGR 0.44
20 FFRIHSRRGR 0.45
21 YPRIHSIRGR 0.49
22 FPRIHSIRGR 0.5
23 YFRIHGHRGR 0.51
24 FFRIHGHRGR 0.52
25 YFRLHSHRGR 0.52
26 YFRIYSHRGR 0.52
27 YFRIKGIRGR 0.52
28 FFRIYSHRGR 0.53
29 FFRIKGIRGR 0.53
30 YFRLKSIRGR 0.53
31 FFRLHSHRGR 0.53
32 FFRLKSIRGR 0.54
33 YFRLYGIRGR 0.6
34 FFRLYGIRGR 0.61
35 YFRIHGRRGR 0.63
36 FFRIHGRRGR 0.64
37 YFRIYSRRGR 0.65
38 FFRIYSRRGR 0.65
39 FFRIKSHRGR 0.65
40 YFRLHSRRGR 0.65
41 YFRIKSHRGR 0.65
42 FFRLHSRRGR 0.66
43 FPRIHGIRGR 0.69
44 YPRIHGIRGR 0.69
45 YPRLHSIRGR 0.7
46 YPRIYSIRGR 0.7
47 FPRIYSIRGR 0.71
48 FPRLHSIRGR 0.71
49 YFRIYGHRGR 0.71
50 YFRLHGHRGR 0.72
51 FFRIYGHRGR 0.72
52 FFRLHGHRGR 0.72
53 YFRLKGIRGR 0.72
54 YFRLYSHRGR 0.73
55 FFRLYSHRGR 0.73
56 FFRLKGIRGR 0.73
57 YFRIKSRRGR 0.77
58 FFRIKSRRGR 0.78
59 YPRIHSHRGR 0.81
60 YPRIKSIRGR 0.82
61 FPRIHSHRGR 0.82
62 FPRIKSIRGR 0.83
63 FFRIYGRRGR 0.84
64 YFRLHGRRGR 0.84
65 YFRIKGHRGR 0.84
66 FFRIKGHRGR 0.84
67 YFRIYGRRGR 0.84
68 YFRLKSHRGR 0.85
69 YFRLYSRRGR 0.85
70 FFRLHGRRGR 0.85
71 FFRLKSHRGR 0.86
72 FFRLYSRRGR 0.86
73 YPRLHGIRGR 0.89
74 YPRIYGIRGR 0.89
75 YPRLYSIRGR 0.9
76 FPRIYGIRGR 0.9
77 FPRLHGIRGR 0.9
78 FPRLYSIRGR 0.91
79 YFRLYGHRGR 0.92
80 FFRLYGHRGR 0.93
81 YPRIHSRRGR 0.94
82 FPRIHSRRGR 0.95
83 YFRIKGRRGR 0.96
84 FFRIKGRRGR 0.97
85 FFRLKSRRGR 0.98
86 YFRLKSRRGR 0.98
87 YPRIHGHRGR 1.0
88 FPRIHGHRGR 1.01
89 YPRIKGIRGR 1.01
90 YPRLHSHRGR 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 YFRLHGIRGR

1.04

-8.21

-7.17
2 YFRIHGIRGR

1.13

-8.05

-6.92
3 FFRIYGIRGR

1.07

-7.52

-6.45
4 FPRIHSIRGR

3.04

-9.25

-6.21
5 FFRIKGIRGR

1.1

-6.98

-5.88
6 YFRIYGIRGR

1.0

-6.76

-5.76
7 YFRLKSIRGR

3.15

-8.73

-5.58
8 YFRIHGHRGR

1.28

-6.84

-5.56
9 FFRIHGHRGR

0.92

-6.34

-5.42
10 FFRIHSRRGR

3.3

-8.38

-5.08
11 FFRIHGIRGR

1.77

-6.59

-4.82
12 FFRLHGIRGR

0.87

-5.66

-4.79
13 FFRIYSIRGR

3.0

-7.71

-4.71
14 FFRIHSIRGR

3.1

-7.72

-4.62
15 YFRIKSIRGR

3.27

-7.86

-4.59
16 YFRIYSIRGR

3.07

-7.58

-4.51
17 FFRIHSHRGR

3.02

-7.37

-4.35
18 YFRLHSIRGR

3.16

-7.28

-4.12
19 YFRIHSIRGR

3.02

-7.13

-4.11
20 YFRIKGIRGR

0.95

-5.05

-4.1
21 YFRLHSHRGR

3.2

-7.25

-4.05
22 YFRIHSRRGR

3.38

-7.32

-3.94
23 YFRIHSHRGR

3.01

-6.75

-3.74
24 FFRIYSHRGR

3.18

-6.78

-3.6
25 YFRIYSHRGR

3.52

-7.07

-3.55
26 YPRIHSIRGR

3.08

-6.03

-2.95
27 FFRLHSIRGR

3.06

-5.59

-2.53
28 FFRIKSIRGR

2.99

-5.38

-2.39
29 FFRLYSIRGR

3.24

-5.49

-2.25
30 YFRLYSIRGR

3.09

-4.88

-1.79

 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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