Predicted ligand sequences (modelled structure)


ADAN-name: ABP1_1OV32-11.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 0.597 ΔGbinding 6.614
TOTAL
 7.211
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 1.051
Van der Waals -4.263 Backbone clash 0.033
Electrostatics 0.132 Helix dipole 0.000
Solvation Polar 5.072 Water bridges 0.000
Solvation Hyd -5.387 Disulfide 0.000
VdW clashes 7.837 Electrost. Kon 0.126
Entropy sc 0.774 Part.cov.bonds 0.000
Entropy mc

2.549

 ΔGstability

42.330
       

Predicted ligand sequences for model [ABP1_1OV32-11.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_1OV32-11.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWRPRK 0.0
2 RRWRPRR 0.04
3 RRWRPPK 0.2
4 RRWRPKK 0.24
5 RRPRPRK 0.25
6 RRWRPPR 0.25
7 RRWRPKR 0.28
8 RRPRPRR 0.29
9 RRKRPRK 0.33
10 RRFRPRK 0.34
11 RRLRPRK 0.36
12 RRWRPGK 0.37
13 RRFRPRR 0.38
14 RRKRPRR 0.38
15 RRLRPRR 0.4
16 RRWRPSK 0.41
17 RRWRPGR 0.41
18 RRWRPSR 0.45
19 RRPRPPK 0.45
20 RRPRPPR 0.49
21 RRPRPKK 0.49
22 RRPRPKR 0.53
23 RRFRPPK 0.54
24 RRKRPPK 0.54
25 MRWRPRK 0.55
26 RRLRPPK 0.56
27 RRKRPKK 0.58
28 RRFRPKK 0.58
29 RRKRPPR 0.58
30 RRFRPPR 0.59
31 MRWRPRR 0.59
32 RRLRPKK 0.6
33 RRLRPPR 0.6
34 RRKRPKR 0.62
35 RRFRPKR 0.62
36 RRPRPGK 0.62
37 RRLRPKR 0.64
38 RRPRPSK 0.66
39 RRPRPGR 0.66
40 RRPRPSR 0.7
41 RRKRPGK 0.71
42 RRFRPGK 0.71
43 RRLRPGK 0.73
44 RRKRPSK 0.74
45 RRFRPSK 0.75
46 MRWRPPK 0.75
47 RRKRPGR 0.75
48 RRFRPGR 0.75
49 RRLRPSK 0.77
50 RRLRPGR 0.77
51 RRKRPSR 0.79
52 RRFRPSR 0.79
53 MRWRPKK 0.79
54 MRWRPPR 0.79
55 MRPRPRK 0.8
56 RRLRPSR 0.81
57 MRWRPKR 0.83
58 MRPRPRR 0.84
59 MRKRPRK 0.88
60 MRFRPRK 0.89
61 MRLRPRK 0.91
62 MRKRPRR 0.92
63 MRWRPGK 0.92
64 MRFRPRR 0.93
65 MRLRPRR 0.95
66 MRWRPSK 0.96
67 MRWRPGR 0.96
68 MRWRPSR 1.0
69 MRPRPPK 1.0
70 MRPRPPR 1.04
71 MRPRPKK 1.04
72 MRPRPKR 1.08
73 MRFRPPK 1.09
74 MRKRPPK 1.09
75 MRLRPPK 1.11
76 MRKRPKK 1.12
77 MRFRPKK 1.13
78 MRFRPPR 1.13
79 MRKRPPR 1.13
80 MRLRPPR 1.15
81 MRLRPKK 1.15
82 MRPRPGK 1.17
83 MRFRPKR 1.17
84 MRKRPKR 1.17
85 MRLRPKR 1.19
86 MRPRPGR 1.21
87 MRPRPSK 1.21
88 MRKRPGK 1.25
89 MRPRPSR 1.25
90 MRFRPGK 1.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRLRPPK

1.94

-6.07

-4.13
2 RRWRPGK

1.99

-5.93

-3.94
3 RRPRPPK

1.99

-5.76

-3.77
4 RRFRPRK

2.33

-5.96

-3.63
5 RRWRPPK

2.15

-5.75

-3.6
6 RRFRPPR

2.03

-5.56

-3.53
7 RRKRPRR

2.32

-5.83

-3.51
8 RRPRPPR

1.98

-5.33

-3.35
9 RRPRPRR

2.39

-5.7

-3.31
10 RRKRPRK

2.31

-5.35

-3.04
11 RRWRPRR

2.35

-5.31

-2.96
12 RRKRPPR

2.4

-5.28

-2.88
13 RRKRPKK

2.75

-5.61

-2.86
14 RRWRPRK

2.48

-5.29

-2.81
15 RRPRPKR

2.5

-5.19

-2.69
16 RRWRPPR

2.3

-4.95

-2.65
17 RRFRPRR

2.16

-4.81

-2.65
18 RRPRPRK

2.22

-4.61

-2.39
19 RRWRPGR

2.38

-4.73

-2.35
20 RRWRPSK

2.19

-4.49

-2.3
21 RRWRPKR

2.47

-4.75

-2.28
22 RRPRPKK

2.39

-4.62

-2.23
23 RRWRPKK

2.31

-4.35

-2.04
24 RRFRPPK

2.06

-4.07

-2.01
25 RRKRPPK

2.36

-4.32

-1.96
26 RRWRPSR

2.61

-4.32

-1.71
27 RRLRPRK

2.42

-4.11

-1.69
28 RRLRPRR

2.46

-4.08

-1.62
29 RRFRPKK

2.93

-4.5

-1.57
30 MRWRPRK

2.63

-2.81

-0.18

 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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