Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1JO8-19.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 1.835 ΔGbinding 0.296
TOTAL
 2.131
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.325
Van der Waals -4.642 Backbone clash 0.002
Electrostatics 0.520 Helix dipole 0.000
Solvation Polar 4.861 Water bridges -0.027
Solvation Hyd -6.734 Disulfide 0.000
VdW clashes 1.544 Electrost. Kon 0.422
Entropy sc 0.601 Part.cov.bonds 0.000
Entropy mc

4.701

 ΔGstability

18.679
       

Predicted ligand sequences for model [ABP1_1JO8-19.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).
 
  ABP1_1JO8-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 KISRPGRSF 0.0
2 KISMPGRSF 0.03
3 QISRPGRSF 0.1
4 KISRPGRHF 0.13
5 QISMPGRSF 0.13
6 KISMPGRHF 0.17
7 QISRPGRHF 0.23
8 QISMPGRHF 0.26
9 MISRPGRSF 0.34
10 MISMPGRSF 0.37
11 KMSRPGRSF 0.46
12 MISRPGRHF 0.47
13 KISRRGRSF 0.48
14 KMSMPGRSF 0.49
15 MISMPGRHF 0.5
16 KIIRPGRSF 0.5
17 KISMRGRSF 0.52
18 KIIMPGRSF 0.53
19 QMSRPGRSF 0.56
20 QISRRGRSF 0.58
21 QMSMPGRSF 0.59
22 KMSRPGRHF 0.59
23 QIIRPGRSF 0.6
24 QISMRGRSF 0.61
25 KISRRGRHF 0.62
26 KMSMPGRHF 0.63
27 QIIMPGRSF 0.63
28 KIIRPGRHF 0.63
29 KISMRGRHF 0.65
30 KIIMPGRHF 0.67
31 QMSRPGRHF 0.69
32 QISRRGRHF 0.72
33 QMSMPGRHF 0.72
34 QIIRPGRHF 0.73
35 QISMRGRHF 0.75
36 QIIMPGRHF 0.76
37 MMSRPGRSF 0.8
38 MISRRGRSF 0.82
39 MMSMPGRSF 0.83
40 MIIRPGRSF 0.84
41 MISMRGRSF 0.85
42 MIIMPGRSF 0.87
43 MMSRPGRHF 0.93
44 KMSRRGRSF 0.95
45 MISRRGRHF 0.96
46 KMIRPGRSF 0.96
47 MMSMPGRHF 0.96
48 MIIRPGRHF 0.97
49 KMSMRGRSF 0.98
50 KIIRRGRSF 0.98
51 MISMRGRHF 0.99
52 KMIMPGRSF 0.99
53 MIIMPGRHF 1.0
54 KIIMRGRSF 1.02
55 QMSRRGRSF 1.04
56 QMIRPGRSF 1.06
57 QIIRRGRSF 1.08
58 KMSRRGRHF 1.08
59 QMSMRGRSF 1.08
60 KMIRPGRHF 1.09
61 QMIMPGRSF 1.09
62 KMSMRGRHF 1.11
63 QIIMRGRSF 1.11
64 KIIRRGRHF 1.12
65 KMIMPGRHF 1.13
66 KIIMRGRHF 1.15
67 QMSRRGRHF 1.18
68 QMIRPGRHF 1.19
69 QMSMRGRHF 1.21
70 QIIRRGRHF 1.22
71 QMIMPGRHF 1.22
72 QIIMRGRHF 1.25
73 MMSRRGRSF 1.28
74 MMIRPGRSF 1.3
75 MMSMRGRSF 1.31
76 MIIRRGRSF 1.32
77 MMIMPGRSF 1.33
78 MIIMRGRSF 1.35
79 MMSRRGRHF 1.42
80 MMIRPGRHF 1.43
81 KMIRRGRSF 1.44
82 MMSMRGRHF 1.45
83 MMIMPGRHF 1.46
84 MIIRRGRHF 1.46
85 KMIMRGRSF 1.48
86 MIIMRGRHF 1.49
87 QMIRRGRSF 1.54
88 QMIMRGRSF 1.57
89 KMIRRGRHF 1.58
90 KMIMRGRHF 1.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KISRRGRSF

2.16

-11.54

-9.38
2 KMSRPGRSF

2.2

-10.88

-8.68
3 KIIRPGRSF

2.56

-10.98

-8.42
4 KISRPGRSF

2.3

-10.7

-8.4
5 QISRPGRSF

2.61

-10.53

-7.92
6 QISRRGRSF

2.66

-10.37

-7.71
7 MISRPGRSF

2.36

-9.96

-7.6
8 KIIRPGRHF

2.43

-9.67

-7.24
9 KIIMPGRSF

2.02

-8.89

-6.87
10 QMSMPGRSF

2.17

-8.91

-6.74
11 KMSMPGRHF

2.44

-9.14

-6.7
12 QISRPGRHF

2.67

-9.36

-6.69
13 KMSRPGRHF

2.62

-9.26

-6.64
14 KIIMPGRHF

2.47

-8.97

-6.5
15 KMSMPGRSF

2.43

-8.88

-6.45
16 KISRPGRHF

2.47

-8.91

-6.44
17 KISMPGRHF

2.29

-8.6

-6.31
18 KISMRGRHF

2.62

-8.78

-6.16
19 MISMPGRHF

2.42

-8.4

-5.98
20 KISMPGRSF

2.05

-8.01

-5.96
21 QISMPGRSF

2.18

-8.12

-5.94
22 QISMPGRHF

2.64

-8.53

-5.89
23 KISRRGRHF

2.46

-8.23

-5.77
24 QISMRGRSF

2.48

-8.21

-5.73
25 MISRPGRHF

2.45

-8.02

-5.57
26 QMSRPGRSF

2.59

-8.02

-5.43
27 QIIRPGRSF

2.2

-7.52

-5.32
28 MISMPGRSF

2.0

-7.19

-5.19
29 QIIMPGRSF

2.45

-7.45

-5.0
30 KISMRGRSF

2.39

-7.16

-4.77

 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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