Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1CSK-29.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
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 1.476 ΔGbinding -0.576
TOTAL
 0.900
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.474
Van der Waals -4.773 Backbone clash -0.000
Electrostatics 0.176 Helix dipole 0.000
Solvation Polar 5.069 Water bridges -0.106
Solvation Hyd -6.370 Disulfide 0.000
VdW clashes 2.543 Electrost. Kon 0.223
Entropy sc 0.883 Part.cov.bonds 0.000
Entropy mc

2.580

 ΔGstability

27.981
       

Predicted ligand sequences for model [YSC84_1CSK-29.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_1CSK-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 RDPRFHPWRR 0.0
2 EDPRFHPWRR 0.0
3 KDPRFHPWRR 0.01
4 RDPRFHRWRR 0.11
5 EYPRFHPWRR 0.12
6 RYPRFHPWRR 0.12
7 KDPRFHRWRR 0.12
8 EDPRFHRWRR 0.12
9 KYPRFHPWRR 0.13
10 KDPRVHPWRR 0.15
11 EDPRVHPWRR 0.15
12 RDPRVHPWRR 0.15
13 KYPRFHRWRR 0.24
14 RYPRFHRWRR 0.24
15 EYPRFHRWRR 0.24
16 EDPRFHFWRR 0.25
17 RDPRFHFWRR 0.25
18 KDPRFHFWRR 0.26
19 EDPRVHRWRR 0.26
20 RDPRVHRWRR 0.26
21 RYPRVHPWRR 0.27
22 KDPRVHRWRR 0.27
23 EYPRVHPWRR 0.27
24 EEPRFHPWRR 0.28
25 KYPRVHPWRR 0.28
26 REPRFHPWRR 0.28
27 RDPPFHPWRR 0.29
28 KEPRFHPWRR 0.29
29 EDPPFHPWRR 0.3
30 KDPPFHPWRR 0.3
31 RYPRFHFWRR 0.37
32 RYPRVHRWRR 0.38
33 EYPRFHFWRR 0.38
34 KYPRFHFWRR 0.38
35 REPRFHRWRR 0.39
36 KYPRVHRWRR 0.39
37 EEPRFHRWRR 0.39
38 EYPRVHRWRR 0.39
39 KEPRFHRWRR 0.4
40 EDPRVHFWRR 0.4
41 RDPRVHFWRR 0.4
42 RDPPFHRWRR 0.41
43 EDPPFHRWRR 0.41
44 KDPRVHFWRR 0.41
45 RYPPFHPWRR 0.42
46 KDPPFHRWRR 0.42
47 KYPPFHPWRR 0.42
48 EYPPFHPWRR 0.42
49 EEPRVHPWRR 0.43
50 REPRVHPWRR 0.43
51 KEPRVHPWRR 0.43
52 EDPPVHPWRR 0.44
53 RDPPVHPWRR 0.44
54 RDPEFHPWRR 0.45
55 KDPPVHPWRR 0.45
56 EDPEFHPWRR 0.46
57 KDPEFHPWRR 0.46
58 EYPRVHFWRR 0.52
59 RYPRVHFWRR 0.52
60 EYPPFHRWRR 0.53
61 KYPRVHFWRR 0.53
62 EEPRFHFWRR 0.53
63 RYPPFHRWRR 0.53
64 REPRFHFWRR 0.53
65 REPRVHRWRR 0.54
66 EEPRVHRWRR 0.54
67 KYPPFHRWRR 0.54
68 KEPRFHFWRR 0.54
69 RDPPFHFWRR 0.55
70 KEPRVHRWRR 0.55
71 KDPPFHFWRR 0.55
72 EDPPFHFWRR 0.55
73 RDPPVHRWRR 0.56
74 RYPPVHPWRR 0.56
75 KDPPVHRWRR 0.56
76 EDPPVHRWRR 0.56
77 EEPPFHPWRR 0.57
78 EYPPVHPWRR 0.57
79 RDPEFHRWRR 0.57
80 KYPPVHPWRR 0.57
81 REPPFHPWRR 0.57
82 EDPEFHRWRR 0.57
83 KEPPFHPWRR 0.58
84 RYPEFHPWRR 0.58
85 KYPEFHPWRR 0.58
86 KDPEFHRWRR 0.58
87 EYPEFHPWRR 0.58
88 RDPEVHPWRR 0.6
89 EDPEVHPWRR 0.6
90 KDPEVHPWRR 0.61
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 REPRFHPWRR

3.15

-14.77

-11.62
2 KYPRVHPWRR

2.12

-13.2

-11.08
3 EYPRFHRWRR

1.85

-12.92

-11.07
4 RDPPFHPWRR

1.61

-11.98

-10.37
5 EYPRVHPWRR

1.75

-11.81

-10.06
6 EYPRFHPWRR

1.99

-12.01

-10.02
7 RDPRFHPWRR

2.0

-11.93

-9.93
8 RYPRVHPWRR

2.12

-11.95

-9.83
9 KEPRFHPWRR

2.98

-12.76

-9.78
10 EDPRFHPWRR

3.65

-13.38

-9.73
11 EDPRVHRWRR

2.38

-12.09

-9.71
12 KDPRVHPWRR

2.54

-12.24

-9.7
13 KDPPFHPWRR

2.37

-11.9

-9.53
14 RDPRVHPWRR

2.69

-12.16

-9.47
15 EDPPFHPWRR

2.07

-11.46

-9.39
16 RDPRFHRWRR

2.49

-11.78

-9.29
17 RDPRFHFWRR

1.66

-10.86

-9.2
18 KDPRFHRWRR

1.83

-10.92

-9.09
19 KYPRFHRWRR

2.14

-11.08

-8.94
20 EDPRFHRWRR

3.0

-11.79

-8.79
21 EDPRFHFWRR

3.46

-12.1

-8.64
22 RDPRVHRWRR

3.82

-12.43

-8.61
23 EDPRVHPWRR

3.33

-11.87

-8.54
24 EEPRFHPWRR

3.73

-12.27

-8.54
25 KYPRFHPWRR

3.58

-11.94

-8.36
26 KDPRFHPWRR

3.23

-11.47

-8.24
27 RYPRFHPWRR

3.02

-11.14

-8.12
28 KDPRFHFWRR

3.49

-11.54

-8.05
29 RYPRFHRWRR

3.65

-11.66

-8.01
30 KDPRVHRWRR

3.97

-11.69

-7.72

 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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