Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-26.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 2.521 ΔGbinding 2.804
TOTAL
 5.325
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.876
Van der Waals -4.200 Backbone clash 0.027
Electrostatics 0.329 Helix dipole 0.000
Solvation Polar 4.372 Water bridges -0.000
Solvation Hyd -5.604 Disulfide 0.000
VdW clashes 4.383 Electrost. Kon 0.308
Entropy sc 0.306 Part.cov.bonds 0.000
Entropy mc

2.034

 ΔGstability

45.624
       

Predicted ligand sequences for model [ABP1_1OV32-26.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_1OV32-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRPKRRPK 0.0
2 RRRPKRRRK 0.03
3 RRRPKRRHK 0.04
4 RRRPRRRPK 0.05
5 RRRPRRRRK 0.07
6 RRRPRRRHK 0.09
7 RKRPKRRPK 0.1
8 RRRPHRRPK 0.12
9 RKRPKRRRK 0.12
10 RKRPRRRPK 0.14
11 RKRPKRRHK 0.14
12 RRRPHRRRK 0.15
13 RRRPHRRHK 0.16
14 RKRPRRRRK 0.17
15 RKRPRRRHK 0.19
16 RHRPKRRPK 0.19
17 RKRPHRRPK 0.22
18 RHRPKRRRK 0.22
19 RHRPKRRHK 0.23
20 RHRPRRRPK 0.24
21 RKRPHRRRK 0.25
22 RKRPHRRHK 0.26
23 RHRPRRRRK 0.26
24 RHRPRRRHK 0.28
25 RRRPKRPPK 0.28
26 RRRPKRPRK 0.3
27 RHRPHRRPK 0.31
28 RRRPRRPPK 0.32
29 RRRPKRPHK 0.32
30 RHRPHRRRK 0.34
31 RHRPHRRHK 0.35
32 RRRPRRPRK 0.35
33 RRRPRRPHK 0.36
34 RKRPKRPPK 0.37
35 KRRPKRRPK 0.37
36 KRRPKRRRK 0.39
37 RRRPHRPPK 0.4
38 RKRPKRPRK 0.4
39 SRRPKRRPK 0.41
40 KRRPRRRPK 0.41
41 RKRPKRPHK 0.41
42 KRRPKRRHK 0.41
43 RKRPRRPPK 0.42
44 RRRPHRPRK 0.43
45 RRRPHRPHK 0.44
46 KRRPRRRRK 0.44
47 SRRPKRRRK 0.44
48 RRRRKRRPK 0.45
49 KRRPRRRHK 0.45
50 RKRPRRPRK 0.45
51 SRRPKRRHK 0.45
52 SRRPRRRPK 0.46
53 KKRPKRRPK 0.46
54 RKRPRRPHK 0.46
55 RHRPKRPPK 0.47
56 RRRRKRRRK 0.48
57 KRRPHRRPK 0.49
58 RKRPHRPPK 0.49
59 RRRRKRRHK 0.49
60 SRRPRRRRK 0.49
61 RHRPKRPRK 0.49
62 KKRPKRRRK 0.49
63 SRRPRRRHK 0.5
64 RRRRRRRPK 0.5
65 SKRPKRRPK 0.51
66 KKRPRRRPK 0.51
67 RHRPRRPPK 0.51
68 KKRPKRRHK 0.51
69 RHRPKRPHK 0.51
70 KRRPHRRRK 0.52
71 RKRPHRPRK 0.52
72 KRRPHRRHK 0.53
73 RRRRRRRRK 0.53
74 SRRPHRRPK 0.53
75 RHRPRRPRK 0.54
76 RKRPHRPHK 0.54
77 SKRPKRRRK 0.54
78 RRRRRRRHK 0.54
79 KKRPRRRRK 0.54
80 KKRPRRRHK 0.55
81 SKRPKRRHK 0.55
82 RKRRKRRPK 0.55
83 RHRPRRPHK 0.55
84 SKRPRRRPK 0.56
85 SRRPHRRRK 0.56
86 KHRPKRRPK 0.56
87 RRRRHRRPK 0.57
88 SRRPHRRHK 0.58
89 RKRRKRRRK 0.58
90 SKRPRRRRK 0.58
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRPRRPPK

2.54

-9.54

-7.0
2 RHRPKRRPK

2.29

-9.07

-6.78
3 RRRPRRRHK

2.51

-9.05

-6.54
4 RRRPKRPPK

2.57

-9.04

-6.47
5 RRRPKRRPK

2.57

-9.03

-6.46
6 RRRPRRRPK

2.75

-9.14

-6.39
7 RRRPKRPHK

2.1

-8.47

-6.37
8 RKRPKRRPK

2.77

-8.79

-6.02
9 RRRPKRPRK

2.11

-8.1

-5.99
10 RKRPHRRPK

2.83

-8.73

-5.9
11 RHRPRRRPK

2.38

-8.26

-5.88
12 RHRPRRRHK

3.05

-8.91

-5.86
13 RRRPRRRRK

2.59

-8.33

-5.74
14 RHRPKRRHK

2.39

-8.03

-5.64
15 RRRPHRRPK

2.32

-7.95

-5.63
16 RRRPKRRRK

2.63

-8.17

-5.54
17 RKRPRRRHK

3.12

-8.63

-5.51
18 RHRPKRRRK

2.91

-8.32

-5.41
19 RKRPHRRHK

2.56

-7.86

-5.3
20 RKRPKRRRK

2.69

-7.93

-5.24
21 RHRPHRRRK

2.32

-7.22

-4.9
22 RKRPRRRPK

2.36

-7.19

-4.83
23 RHRPRRRRK

2.47

-7.27

-4.8
24 RHRPHRRPK

2.31

-7.04

-4.73
25 RKRPKRRHK

2.3

-6.7

-4.4
26 RRRPHRRRK

2.81

-6.94

-4.13
27 RKRPRRRRK

2.67

-6.73

-4.06
28 RRRPHRRHK

2.92

-6.65

-3.73
29 RKRPHRRRK

3.0

-6.46

-3.46
30 RRRPKRRHK

3.14

-6.29

-3.15

 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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