Predicted ligand sequences


ADAN-name: 2C632.PDB (view again the scoring matrix)

PDB name: [2C63.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT I s L P
position 1 2 3 4
poly-Ala 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 1.554 ΔGbinding -9.430
TOTAL
 -7.876
Backbone Hb -2.290 Cis_bond 0.000
Sidechain Hb -6.270 Torsional clash 0.070
Van der Waals -5.940 Backbone clash 0.270
Electrostatics -3.460 Helix dipole -0.020
Solvation Polar 12.200 Water bridges -0.540
Solvation Hyd -7.180 Disulfide 0.000
VdW clashes 0.230 Electrost. Kon -2.030
Entropy sc 4.360 Part.cov.bonds 0.000
Entropy mc

1.460

 ΔGstability

-71.980
       

Predicted ligand sequences for template [2C632.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).
 
  2C632.PDB  

(data)
# Predicted Sequences Value Calculate
1 MEYW 0.0
2 KEYW 0.01
3 SEYW 0.03
4 HEYW 0.04
5 MEMW 0.13
6 KEMW 0.14
7 SEMW 0.15
8 MEYF 0.17
9 HEMW 0.17
10 KEYF 0.17
11 SEYF 0.19
12 HEYF 0.2
13 MEYY 0.27
14 KEYY 0.28
15 MEMF 0.29
16 KEMF 0.3
17 MEYP 0.3
18 SEYY 0.3
19 MEWW 0.3
20 HEYY 0.31
21 KEWW 0.31
22 KEYP 0.31
23 SEMF 0.32
24 SEWW 0.33
25 SEYP 0.33
26 HEMF 0.33
27 HEYP 0.34
28 HEWW 0.34
29 MEMY 0.4
30 KEMY 0.41
31 KEMP 0.43
32 MEMP 0.43
33 SEMY 0.43
34 HEMY 0.44
35 MsYW 0.45
36 SEMP 0.45
37 KsYW 0.46
38 MEWF 0.46
39 HEMP 0.46
40 KEWF 0.47
41 SsYW 0.47
42 HsYW 0.48
43 SEWF 0.49
44 HEWF 0.5
45 MEWY 0.57
46 MsMW 0.57
47 KsMW 0.58
48 KEWY 0.58
49 SEWY 0.6
50 SsMW 0.6
51 MEWP 0.6
52 MsYF 0.61
53 KEWP 0.61
54 HsMW 0.61
55 HEWY 0.61
56 KsYF 0.62
57 SEWP 0.62
58 HEWP 0.64
59 SsYF 0.64
60 HsYF 0.65
61 MsYY 0.72
62 KsYY 0.73
63 MsYP 0.74
64 SsYY 0.74
65 MsMF 0.74
66 MsWW 0.75
67 KsYP 0.75
68 KsMF 0.75
69 KsWW 0.76
70 HsYY 0.76
71 SsWW 0.77
72 SsMF 0.77
73 SsYP 0.77
74 HsMF 0.78
75 HsWW 0.78
76 HsYP 0.78
77 MsMY 0.84
78 KsMY 0.85
79 SsMY 0.87
80 MsMP 0.87
81 HsMY 0.88
82 KsMP 0.88
83 SsMP 0.9
84 MsWF 0.91
85 HsMP 0.91
86 KsWF 0.92
87 SsWF 0.94
88 HsWF 0.95
89 MsWY 1.02
90 KsWY 1.02
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 SEMF

1.43

-10.64

-9.21
2 KEMF

1.67

-10.85

-9.18
3 MEMY

1.49

-10.62

-9.13
4 MEMW

1.65

-10.74

-9.09
5 KEYP

1.63

-10.7

-9.07
6 KEMY

1.51

-10.54

-9.03
7 KEMW

1.6

-10.61

-9.01
8 MEMF

1.68

-10.63

-8.95
9 SEMW

1.66

-10.4

-8.74
10 MEYP

1.69

-10.42

-8.73
11 MEYF

1.57

-10.25

-8.68
12 HEMF

1.71

-10.26

-8.55
13 MEYW

1.86

-10.35

-8.49
14 HEMW

1.62

-10.1

-8.48
15 KEWW

2.15

-10.41

-8.26
16 SEYF

1.63

-9.78

-8.15
17 MEYY

1.7

-9.83

-8.13
18 SEYP

1.59

-9.71

-8.12
19 SEYY

1.87

-9.93

-8.06
20 SEWW

2.29

-10.29

-8.0
21 HEYY

1.75

-9.66

-7.91
22 HEYF

1.69

-9.58

-7.89
23 KEYF

1.61

-9.5

-7.89
24 MEWW

2.4

-10.26

-7.86
25 KEYW

1.72

-9.42

-7.7
26 HEWW

2.27

-9.91

-7.64
27 SEYW

2.05

-9.62

-7.57
28 KEYY

1.89

-9.2

-7.31
29 HEYP

1.71

-8.79

-7.08
30 HEYW

1.76

-8.71

-6.95

 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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