Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-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 0.854 ΔGbinding -0.507
TOTAL
 0.347
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.139
Van der Waals -1.832 Backbone clash 0.032
Electrostatics 0.038 Helix dipole 0.000
Solvation Polar 2.110 Water bridges -0.049
Solvation Hyd -2.492 Disulfide 0.000
VdW clashes 0.332 Electrost. Kon 0.017
Entropy sc 0.516 Part.cov.bonds 0.000
Entropy mc

1.990

 ΔGstability

25.714
       

Predicted ligand sequences for model [YSC84_1OOT-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).
 
  YSC84_1OOT-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWIMGRPRFW 0.0
2 EWQMGRPRFW 0.0
3 EWFMGRPRFW 0.03
4 EWIMGRPRFL 0.21
5 EWQMGRPRFL 0.21
6 EWFMGRPRFL 0.24
7 EWIMGRPRFR 0.29
8 EWQMGRPRFR 0.29
9 EWFMGRPRFR 0.33
10 EWQMGRTRFW 0.35
11 EWIMGRTRFW 0.35
12 EWFMGRTRFW 0.39
13 EMIMGRPRFW 0.39
14 EMQMGRPRFW 0.39
15 EWIMHRPRFW 0.4
16 EWQMHRPRFW 0.4
17 EWQMGRERFW 0.42
18 EWIMGRERFW 0.42
19 EWFMHRPRFW 0.43
20 EMFMGRPRFW 0.43
21 EWFMGRERFW 0.45
22 EWQMGRTRFL 0.56
23 EWIMGRTRFL 0.56
24 EWFMGRTRFL 0.6
25 EMIMGRPRFL 0.6
26 EMQMGRPRFL 0.6
27 EWIMHRPRFL 0.61
28 EWQMHRPRFL 0.61
29 EWQMGRERFL 0.63
30 EWIMGRERFL 0.63
31 EWFMHRPRFL 0.64
32 EMFMGRPRFL 0.64
33 EWQMGRTRFR 0.65
34 EWIMGRTRFR 0.65
35 EWFMGRERFL 0.66
36 EWFMGRTRFR 0.68
37 EWIMHRPRFR 0.69
38 EWQMHRPRFR 0.69
39 EMQMGRPRFR 0.69
40 EMIMGRPRFR 0.69
41 EWQMGRERFR 0.71
42 EWIMGRERFR 0.71
43 EWFMHRPRFR 0.72
44 EMFMGRPRFR 0.72
45 EWFMGRERFR 0.74
46 EMQMGRTRFW 0.74
47 EMIMGRTRFW 0.74
48 EWIMHRTRFW 0.75
49 EWQMHRTRFW 0.75
50 EWFMHRTRFW 0.78
51 EMFMGRTRFW 0.78
52 EMQMHRPRFW 0.79
53 EMIMHRPRFW 0.79
54 EMIMGRERFW 0.81
55 EWQMHRERFW 0.81
56 EWIMHRERFW 0.81
57 EMQMGRERFW 0.81
58 EMFMHRPRFW 0.82
59 EMFMGRERFW 0.84
60 EWFMHRERFW 0.85
61 EMQMGRTRFL 0.95
62 EWIMHRTRFL 0.96
63 EWQMHRTRFL 0.96
64 EMIMGRTRFL 0.96
65 EWFMHRTRFL 0.99
66 EMFMGRTRFL 0.99
67 EMQMHRPRFL 1.0
68 EMIMHRPRFL 1.0
69 EMIMGRERFL 1.02
70 EWQMHRERFL 1.02
71 EMQMGRERFL 1.02
72 EMFMHRPRFL 1.03
73 EWIMHRERFL 1.03
74 EWIMHRTRFR 1.04
75 EMQMGRTRFR 1.04
76 EWQMHRTRFR 1.04
77 EMIMGRTRFR 1.04
78 EMFMGRERFL 1.05
79 EWFMHRERFL 1.06
80 EMFMGRTRFR 1.07
81 EWFMHRTRFR 1.07
82 EMQMHRPRFR 1.08
83 EMIMHRPRFR 1.08
84 EMIMGRERFR 1.1
85 EMQMGRERFR 1.1
86 EMFMHRPRFR 1.11
87 EWQMHRERFR 1.11
88 EWIMHRERFR 1.11
89 EMFMGRERFR 1.14
90 EMIMHRTRFW 1.14
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EWIMGRPRFR

2.9

-8.69

-5.79
2 EWIMGRERFW

2.78

-8.55

-5.77
3 EWQMGRPRFW

2.75

-8.45

-5.7
4 EWFMGRPRFW

2.77

-8.45

-5.68
5 EMIMGRPRFW

2.55

-8.18

-5.63
6 EWQMGRPRFR

2.84

-8.43

-5.59
7 EWFMGRPRFL

2.67

-8.25

-5.58
8 EWFMGRERFW

2.63

-8.13

-5.5
9 EWFMGRTRFL

2.82

-8.32

-5.5
10 EWIMGRPRFL

2.8

-8.16

-5.36
11 EWFMGRPRFR

2.79

-8.13

-5.34
12 EWQMGRPRFL

2.76

-7.99

-5.23
13 EWIMGRTRFL

2.83

-7.77

-4.94
14 EWIMGRERFL

2.67

-7.59

-4.92
15 EWIMGRPRFW

2.72

-7.63

-4.91
16 EWQMGRTRFL

2.63

-7.51

-4.88
17 EWQMGRERFL

2.68

-7.56

-4.88
18 EMQMGRPRFL

2.72

-7.6

-4.88
19 EWFMGRTRFW

2.81

-7.64

-4.83
20 EWIMGRTRFW

2.86

-7.66

-4.8
21 EMFMGRPRFW

2.85

-7.63

-4.78
22 EMIMGRPRFL

2.96

-7.53

-4.57
23 EWQMGRTRFW

3.02

-7.47

-4.45
24 EWQMGRERFW

2.68

-7.03

-4.35
25 EWQMHRPRFW

4.31

-8.22

-3.91
26 EWQMHRPRFL

4.18

-7.95

-3.77
27 EWIMHRPRFW

4.33

-7.79

-3.46
28 EWIMHRPRFL

4.14

-7.58

-3.44
29 EMQMGRPRFW

2.9

-6.25

-3.35
30 EWFMHRPRFW

4.3

-7.39

-3.09

 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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