Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1YNZ-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 2.655 ΔGbinding 1.437
TOTAL
 4.092
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.522
Van der Waals -3.095 Backbone clash 0.021
Electrostatics 0.117 Helix dipole 0.000
Solvation Polar 3.491 Water bridges 0.000
Solvation Hyd -4.116 Disulfide 0.000
VdW clashes 2.739 Electrost. Kon 0.109
Entropy sc 0.580 Part.cov.bonds 0.000
Entropy mc

2.366

 ΔGstability

10.118
       

Predicted ligand sequences for model [PIN3_1YNZ-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).
 
  PIN3_1YNZ-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RHPMGNWW 0.0
2 RHPDGNWW 0.07
3 RHPMGNRW 0.07
4 RHPDGNRW 0.14
5 RHFMGNWW 0.18
6 RHIMGNWW 0.22
7 RHFDGNWW 0.24
8 RHFMGNRW 0.25
9 RHIDGNWW 0.29
10 RHIMGNRW 0.3
11 RHPIGNWW 0.31
12 RHFDGNRW 0.32
13 RHPMPNWW 0.33
14 RHPMGNLW 0.34
15 RHIDGNRW 0.36
16 RHPIGNRW 0.39
17 RHPDPNWW 0.4
18 RHPMPNRW 0.4
19 RHPDGNLW 0.41
20 RPPMGNWW 0.45
21 RHPDPNRW 0.47
22 RHPMGLWW 0.48
23 RHFIGNWW 0.49
24 RHFMPNWW 0.5
25 RPPDGNWW 0.52
26 RHFMGNLW 0.52
27 RPPMGNRW 0.52
28 RHIIGNWW 0.53
29 RHPMGLRW 0.55
30 RHIMPNWW 0.55
31 RHPDGLWW 0.55
32 RHFIGNRW 0.56
33 RHIMGNLW 0.57
34 RHFDPNWW 0.57
35 RHFMPNRW 0.58
36 RHFDGNLW 0.59
37 RPPDGNRW 0.59
38 RHIIGNRW 0.61
39 RHIMPNRW 0.62
40 RHIDPNWW 0.62
41 RHPDGLRW 0.62
42 RPFMGNWW 0.62
43 RHIDGNLW 0.63
44 RHPIPNWW 0.64
45 RHFDPNRW 0.65
46 RHFMGLWW 0.66
47 RHPIGNLW 0.66
48 RPIMGNWW 0.67
49 RHPMPNLW 0.67
50 RHIDPNRW 0.69
51 RPFDGNWW 0.69
52 RHIMGLWW 0.7
53 RPFMGNRW 0.7
54 RHPIPNRW 0.71
55 RHFDGLWW 0.72
56 RHFMGLRW 0.73
57 RHPDPNLW 0.74
58 RPIDGNWW 0.74
59 RPIMGNRW 0.74
60 RPPIGNWW 0.76
61 RPFDGNRW 0.77
62 RHIDGLWW 0.77
63 RPPMPNWW 0.78
64 RHIMGLRW 0.78
65 RPPMGNLW 0.79
66 RHPIGLWW 0.79
67 RHFDGLRW 0.8
68 RHPMPLWW 0.81
69 RPIDGNRW 0.81
70 RHFIPNWW 0.82
71 RHPMGLLW 0.82
72 RHFIGNLW 0.83
73 RPPIGNRW 0.83
74 RPPDPNWW 0.84
75 RHIDGLRW 0.84
76 RPPMPNRW 0.85
77 RHFMPNLW 0.85
78 RPPDGNLW 0.86
79 RHIIPNWW 0.86
80 RHPIGLRW 0.87
81 RHPMPLRW 0.88
82 RHPDPLWW 0.88
83 RHIIGNLW 0.88
84 RHFIPNRW 0.89
85 RHPDGLLW 0.89
86 RHIMPNLW 0.89
87 RPPDPNRW 0.92
88 RHFDPNLW 0.92
89 RPPMGLWW 0.93
90 RHIIPNRW 0.94
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RHPMGLRW

2.57

-9.89

-7.32
2 RPPMGNRW

2.25

-9.47

-7.22
3 RHPMPNRW

3.25

-10.42

-7.17
4 RHIDGNRW

2.61

-9.7

-7.09
5 RHPMGNRW

2.42

-9.41

-6.99
6 RHIMGNRW

2.63

-9.44

-6.81
7 RHFDGNRW

2.32

-9.07

-6.75
8 RHPIGNRW

2.54

-9.03

-6.49
9 RHPDGNRW

2.51

-8.96

-6.45
10 RHFMGNRW

2.46

-8.76

-6.3
11 RHPDPNRW

2.55

-8.25

-5.7
12 RHPMGNLW

2.71

-7.88

-5.17
13 RPPMGNWW

2.01

-7.04

-5.03
14 RHPDGNLW

2.5

-7.39

-4.89
15 RHIMPNWW

2.37

-7.13

-4.76
16 RHPMPNWW

2.43

-7.05

-4.62
17 RHPMGLWW

2.31

-6.82

-4.51
18 RHFMGNWW

2.33

-6.67

-4.34
19 RHFMGNLW

2.34

-6.53

-4.19
20 RHFMPNWW

2.11

-6.27

-4.16
21 RHPDPNWW

2.77

-6.79

-4.02
22 RHIDGNWW

2.56

-6.58

-4.02
23 RHIIGNWW

2.84

-6.8

-3.96
24 RHPIGNWW

2.87

-6.72

-3.85
25 RHPMGNWW

2.79

-6.64

-3.85
26 RHFDGNWW

2.44

-6.16

-3.72
27 RHIMGNWW

2.34

-5.96

-3.62
28 RHFIGNWW

2.45

-5.98

-3.53
29 RHPDGNWW

2.67

-6.14

-3.47
30 RPPDGNWW

2.45

-5.46

-3.01

 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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