Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-13.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 0.375 ΔGbinding -0.567
TOTAL
 -0.192
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.458
Van der Waals -2.693 Backbone clash 0.095
Electrostatics 0.183 Helix dipole 0.000
Solvation Polar 2.895 Water bridges 0.020
Solvation Hyd -3.741 Disulfide 0.000
VdW clashes 1.850 Electrost. Kon 0.196
Entropy sc 0.658 Part.cov.bonds 0.000
Entropy mc

2.157

 ΔGstability

18.236
       

Predicted ligand sequences for model [YSC84_1OOT-13.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_1OOT-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPPLPPWK 0.0
2 RPKLPPWK 0.05
3 RPPLPPWR 0.13
4 RPPLPFWK 0.15
5 RPPLPLWK 0.17
6 RPKLPPWR 0.18
7 RPPMPPWK 0.19
8 RPFLPPWK 0.19
9 RPKLPFWK 0.2
10 RPKLPLWK 0.22
11 RPKMPPWK 0.24
12 RPPLPFWR 0.28
13 RPPLPLWR 0.3
14 RPPMPPWR 0.32
15 RPFLPPWR 0.32
16 RPKLPFWR 0.33
17 RPPMPFWK 0.34
18 RPFLPFWK 0.34
19 RPKLPLWR 0.35
20 RPPMPLWK 0.36
21 RPFLPLWK 0.36
22 RPKMPPWR 0.37
23 RPFMPPWK 0.38
24 RPPLCPWK 0.39
25 RPKMPFWK 0.39
26 RPPLPPWP 0.4
27 RPKMPLWK 0.41
28 RPKLCPWK 0.44
29 RPKLPPWP 0.45
30 RYPLPPWK 0.45
31 RPPMPFWR 0.47
32 RPFLPFWR 0.47
33 RPPLNPWK 0.48
34 RPPMPLWR 0.49
35 RFPLPPWK 0.49
36 RPFLPLWR 0.49
37 RPFMPPWR 0.5
38 RYKLPPWK 0.5
39 RPPLCPWR 0.51
40 RPKMPFWR 0.52
41 RPFMPFWK 0.53
42 RPKLNPWK 0.53
43 RPKMPLWR 0.54
44 RPPLCFWK 0.54
45 RFKLPPWK 0.54
46 RPFMPLWK 0.55
47 RPPLPFWP 0.55
48 RPPLCLWK 0.56
49 RPKLCPWR 0.56
50 RPPLPLWP 0.57
51 RPFLCPWK 0.57
52 RPPMCPWK 0.58
53 RYPLPPWR 0.58
54 RPPMPPWP 0.59
55 RPKLCFWK 0.59
56 RPFLPPWP 0.59
57 RPKLPFWP 0.6
58 RPPLNPWR 0.6
59 RYPLPFWK 0.6
60 RPKLCLWK 0.61
61 RPKLPLWP 0.62
62 RFPLPPWR 0.62
63 RYPLPLWK 0.62
64 RPKMCPWK 0.63
65 RYKLPPWR 0.63
66 RPPLNFWK 0.63
67 RYPMPPWK 0.64
68 RYFLPPWK 0.64
69 RPKMPPWP 0.64
70 RPPLNLWK 0.65
71 RFPLPFWK 0.65
72 RPKLNPWR 0.65
73 RPFMPFWR 0.66
74 RPFLNPWK 0.66
75 RFPLPLWK 0.66
76 RYKLPFWK 0.66
77 RPPLCFWR 0.67
78 RYKLPLWK 0.67
79 RPPMNPWK 0.67
80 RFKLPPWR 0.67
81 RFFLPPWK 0.68
82 RPKLNFWK 0.68
83 RPFMPLWR 0.68
84 RFPMPPWK 0.68
85 RPPLCLWR 0.69
86 RYKMPPWK 0.69
87 RPKLNLWK 0.7
88 RPPMCPWR 0.7
89 RPFLCPWR 0.7
90 RFKLPFWK 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPPMPPWK

1.45

-11.62

-10.17
2 RPPLPPWR

1.74

-11.67

-9.93
3 RPPLPLWR

1.83

-11.57

-9.74
4 RPKMPPWR

1.64

-11.31

-9.67
5 RPPMPPWR

1.75

-11.21

-9.46
6 RPPLPLWK

1.43

-10.8

-9.37
7 RPPLPFWK

1.69

-10.96

-9.27
8 RPPLPFWR

1.02

-10.19

-9.17
9 RPKMPLWK

1.27

-10.41

-9.14
10 RPFMPPWK

1.47

-10.52

-9.05
11 RPPLPPWK

1.34

-10.36

-9.02
12 RPFLPPWK

1.27

-10.16

-8.89
13 RYPLPPWK

1.86

-10.72

-8.86
14 RPKMPFWK

1.26

-10.1

-8.84
15 RPPMPFWK

0.82

-9.66

-8.84
16 RPKLPPWK

1.43

-10.19

-8.76
17 RPFLPPWR

1.92

-10.64

-8.72
18 RPKMPPWK

1.79

-10.38

-8.59
19 RPPMPLWK

1.63

-10.16

-8.53
20 RPKLPLWR

1.22

-9.66

-8.44
21 RPKLPFWR

1.0

-9.23

-8.23
22 RPKLPLWK

1.27

-9.42

-8.15
23 RPKLPPWR

2.55

-10.64

-8.09
24 RPFLPFWK

0.75

-8.62

-7.87
25 RPPLPPWP

1.99

-9.69

-7.7
26 RPKLPFWK

0.86

-8.51

-7.65
27 RPFLPLWK

1.28

-8.44

-7.16
28 RPPLCPWK

1.77

-8.82

-7.05
29 RPKLCPWK

1.7

-8.64

-6.94
30 RPKLPPWP

2.02

-8.62

-6.6

 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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