Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-21.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
 G
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 1.241 ΔGbinding -0.277
TOTAL
 0.964
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.126
Van der Waals -1.751 Backbone clash 0.119
Electrostatics 0.098 Helix dipole 0.000
Solvation Polar 2.100 Water bridges -0.028
Solvation Hyd -2.483 Disulfide 0.000
VdW clashes 0.367 Electrost. Kon 0.038
Entropy sc 0.366 Part.cov.bonds 0.000
Entropy mc

2.165

 ΔGstability

42.666
       

Predicted ligand sequences for model [ABP1_1OV32-21.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_1OV32-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EHRIGRPTRF 0.0
2 EWRIGRPTRF 0.06
3 EHKIGRPTRF 0.06
4 EWKIGRPTRF 0.11
5 EIRIGRPTRF 0.16
6 RHRIGRPTRF 0.16
7 RHKIGRPTRF 0.22
8 RWRIGRPTRF 0.22
9 EIKIGRPTRF 0.22
10 EHRIRRPTRF 0.24
11 EHRIKRPTRF 0.27
12 RWKIGRPTRF 0.28
13 EWRIRRPTRF 0.29
14 EHKIRRPTRF 0.29
15 KHRIGRPTRF 0.31
16 EWRIKRPTRF 0.33
17 RIRIGRPTRF 0.33
18 EHKIKRPTRF 0.33
19 EWKIRRPTRF 0.35
20 EHRIGRTTRF 0.35
21 KHKIGRPTRF 0.36
22 EHRIGRPTRH 0.36
23 KWRIGRPTRF 0.36
24 EWKIKRPTRF 0.38
25 EHRIGRPTRK 0.38
26 RIKIGRPTRF 0.38
27 RHRIRRPTRF 0.4
28 EIRIRRPTRF 0.4
29 EWRIGRPTRH 0.41
30 EWRIGRTTRF 0.41
31 EHKIGRTTRF 0.41
32 KWKIGRPTRF 0.42
33 EHKIGRPTRH 0.42
34 EIRIKRPTRF 0.43
35 RHRIKRPTRF 0.43
36 EWRIGRPTRK 0.44
37 EHKIGRPTRK 0.44
38 RHKIRRPTRF 0.46
39 EIKIRRPTRF 0.46
40 EHRIGRQTRF 0.46
41 RWRIRRPTRF 0.46
42 EWKIGRPTRH 0.47
43 EWKIGRTTRF 0.47
44 KIRIGRPTRF 0.47
45 EHRIGRPRRF 0.48
46 EWKIGRPTRK 0.49
47 RHKIKRPTRF 0.49
48 RWRIKRPTRF 0.49
49 EIKIKRPTRF 0.49
50 EHRIGRPMRF 0.49
51 RWKIRRPTRF 0.51
52 EWRIGRQTRF 0.52
53 EIRIGRPTRH 0.52
54 RHRIGRTTRF 0.52
55 EHKIGRQTRF 0.52
56 RHRIGRPTRH 0.52
57 EIRIGRTTRF 0.52
58 KIKIGRPTRF 0.53
59 EWRIGRPMRF 0.54
60 EHKIGRPRRF 0.54
61 EIRIGRPTRK 0.54
62 EWRIGRPRRF 0.54
63 RHRIGRPTRK 0.54
64 EHKIGRPMRF 0.54
65 RWKIKRPTRF 0.55
66 KHRIRRPTRF 0.55
67 RIRIRRPTRF 0.56
68 EWKIGRQTRF 0.57
69 RWRIGRTTRF 0.57
70 RHKIGRTTRF 0.57
71 EIKIGRTTRF 0.57
72 RHKIGRPTRH 0.58
73 KHRIKRPTRF 0.58
74 RWRIGRPTRH 0.58
75 EIKIGRPTRH 0.58
76 EWKIGRPRRF 0.59
77 EHRIRRTTRF 0.59
78 RHKIGRPTRK 0.6
79 RIRIKRPTRF 0.6
80 KHKIRRPTRF 0.6
81 KWRIRRPTRF 0.6
82 RWRIGRPTRK 0.6
83 EHRIRRPTRH 0.6
84 EWKIGRPMRF 0.6
85 EIKIGRPTRK 0.6
86 EIRIGRQTRF 0.62
87 EHRIKRTTRF 0.62
88 RHRIGRQTRF 0.62
89 EHRIRRPTRK 0.62
90 RIKIRRPTRF 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KHKIGRPTRF

3.83

-8.69

-4.86
2 RHKIGRPTRF

3.88

-8.57

-4.69
3 EIRIGRPTRF

4.22

-8.82

-4.6
4 EHKIGRPTRF

4.34

-8.93

-4.59
5 RIKIGRPTRF

3.97

-8.51

-4.54
6 KHRIGRPTRF

3.93

-8.16

-4.23
7 EIKIGRPTRF

4.5

-8.72

-4.22
8 RHRIGRPTRF

3.88

-8.03

-4.15
9 EHRIGRTTRF

4.07

-8.01

-3.94
10 RIRIGRPTRF

4.58

-8.08

-3.5
11 EIRIRRPTRF

6.15

-9.64

-3.49
12 RHRIRRPTRF

5.79

-9.05

-3.26
13 EWRIGRPTRF

4.98

-8.16

-3.18
14 EHRIGRPTRF

4.03

-6.92

-2.89
15 RWKIGRPTRF

4.86

-7.71

-2.85
16 EHRIGRPTRH

3.7

-6.4

-2.7
17 EHKIRRPTRF

5.44

-8.02

-2.58
18 EHRIKRPTRF

5.79

-8.15

-2.36
19 EHRIGRPTRK

4.31

-6.54

-2.23
20 EHRIRRPTRF

5.46

-7.38

-1.92
21 RWRIGRPTRF

5.05

-6.97

-1.92
22 EWRIGRPTRH

5.2

-6.8

-1.6
23 EHKIKRPTRF

5.77

-7.31

-1.54
24 EWRIRRPTRF

6.56

-8.1

-1.54
25 EWKIGRPTRF

4.7

-6.11

-1.41
26 EWRIGRTTRF

5.19

-6.01

-0.82
27 KWRIGRPTRF

5.84

-6.46

-0.62
28 EWKIKRPTRF

6.28

-6.65

-0.37
29 EWRIKRPTRF

7.03

-7.13

-0.1
30 EWKIRRPTRF

6.44

-5.6

0.84

 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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