Predicted ligand sequences


ADAN-name: 2HMH2.PDB (view again the scoring matrix)

PDB name: [2HMH.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S T V E y S T V V H S
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala A
A
 A A
y
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 4.332 ΔGbinding -20.970
TOTAL
 -16.638
Backbone Hb -9.520 Cis_bond 0.000
Sidechain Hb -12.860 Torsional clash 0.320
Van der Waals -19.940 Backbone clash 1.630
Electrostatics -4.910 Helix dipole -0.120
Solvation Polar 30.700 Water bridges -1.590
Solvation Hyd -22.220 Disulfide 0.000
VdW clashes 3.100 Electrost. Kon -1.990
Entropy sc 8.460 Part.cov.bonds 0.000
Entropy mc

9.600

 ΔGstability

2.500
       

Predicted ligand sequences for template [2HMH2.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).
 
  2HMH2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yDIsyVMLLFM 0.0
2 yyIsyVMLLFM 0.04
3 ysIsyVMLLFM 0.05
4 DDIsyVMLLFM 0.06
5 FDIsyVMLLFM 0.09
6 DyIsyVMLLFM 0.11
7 DsIsyVMLLFM 0.11
8 FyIsyVMLLFM 0.13
9 FsIsyVMLLFM 0.14
10 yDIYyVMLLFM 0.17
11 yDIsyVyLLFM 0.18
12 yyIsyVyLLFM 0.22
13 yyIYyVMLLFM 0.22
14 ysIYyVMLLFM 0.22
15 ysIsyVyLLFM 0.23
16 DDIsyVyLLFM 0.24
17 DDIYyVMLLFM 0.24
18 yDIsyVRLLFM 0.26
19 FDIYyVMLLFM 0.27
20 FDIsyVyLLFM 0.27
21 DyIYyVMLLFM 0.28
22 DsIYyVMLLFM 0.29
23 DyIsyVyLLFM 0.29
24 DsIsyVyLLFM 0.29
25 yyIsyVRLLFM 0.3
26 FyIYyVMLLFM 0.31
27 FyIsyVyLLFM 0.31
28 ysIsyVRLLFM 0.31
29 FsIYyVMLLFM 0.31
30 FsIsyVyLLFM 0.32
31 yDIEyVMLLFM 0.32
32 DDIsyVRLLFM 0.33
33 yDIsyVMLMFM 0.33
34 yDDsyVMLLFM 0.35
35 yDIYyVyLLFM 0.35
36 yDIsyVMILFM 0.35
37 FDIsyVRLLFM 0.35
38 yyIEyVMLLFM 0.36
39 ysIEyVMLLFM 0.36
40 DyIsyVRLLFM 0.37
41 yyIsyVMLMFM 0.37
42 DsIsyVRLLFM 0.37
43 DDIEyVMLLFM 0.38
44 ysIsyVMLMFM 0.38
45 yyIsyVMILFM 0.39
46 yyDsyVMLLFM 0.39
47 ysIsyVMILFM 0.4
48 DDIsyVMLMFM 0.4
49 ysIYyVyLLFM 0.4
50 FyIsyVRLLFM 0.4
51 yyIYyVyLLFM 0.4
52 ysDsyVMLLFM 0.4
53 FsIsyVRLLFM 0.4
54 FDIEyVMLLFM 0.41
55 DDIsyVMILFM 0.41
56 DDDsyVMLLFM 0.42
57 FDIsyVMLMFM 0.42
58 DDIYyVyLLFM 0.42
59 DyIEyVMLLFM 0.42
60 DsIEyVMLLFM 0.43
61 yDIYyVRLLFM 0.44
62 FDDsyVMLLFM 0.44
63 DsIsyVMLMFM 0.44
64 FDIsyVMILFM 0.44
65 DyIsyVMLMFM 0.44
66 FsIEyVMLLFM 0.45
67 FDIYyVyLLFM 0.45
68 FyIEyVMLLFM 0.45
69 DyIsyVMILFM 0.45
70 DyIYyVyLLFM 0.46
71 FyIsyVMLMFM 0.46
72 DsDsyVMLLFM 0.46
73 DsIsyVMILFM 0.46
74 DyDsyVMLLFM 0.46
75 yDEsyVMLLFM 0.47
76 DsIYyVyLLFM 0.47
77 FsIsyVMLMFM 0.47
78 ysIYyVRLLFM 0.48
79 FyIsyVMILFM 0.48
80 FyDsyVMLLFM 0.48
81 yyIYyVRLLFM 0.48
82 FsDsyVMLLFM 0.49
83 FsIYyVyLLFM 0.49
84 FyIYyVyLLFM 0.49
85 FsIsyVMILFM 0.49
86 yDIEyVyLLFM 0.5
87 DDIYyVRLLFM 0.5
88 yDIsyVyLMFM 0.51
89 yDIYyVMLMFM 0.51
90 yyEsyVMLLFM 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FyIsyVyLLFM

4.51

-33.0

-28.49
2 FsIsyVyLLFM

5.72

-33.41

-27.69
3 ysIsyVRLLFM

4.81

-31.72

-26.91
4 DDIsyVMLLFM

4.29

-31.12

-26.83
5 yyIsyVRLLFM

4.16

-30.53

-26.37
6 DsIsyVyLLFM

5.45

-31.67

-26.22
7 ysIsyVMLLFM

4.85

-30.51

-25.66
8 ysIsyVyLLFM

4.01

-29.49

-25.48
9 DyIsyVMLLFM

4.78

-30.02

-25.24
10 FDIsyVMLLFM

4.72

-29.81

-25.09
11 yDIsyVRLLFM

4.16

-28.72

-24.56
12 yDIsyVMLLFM

5.33

-29.85

-24.52
13 FDIsyVyLLFM

5.59

-29.94

-24.35
14 ysIYyVMLLFM

4.19

-28.13

-23.94
15 yyIsyVyLLFM

5.1

-29.02

-23.92
16 FsIsyVMLLFM

4.8

-28.7

-23.9
17 yyIsyVMLLFM

5.03

-28.75

-23.72
18 DyIsyVyLLFM

5.5

-29.19

-23.69
19 DsIYyVMLLFM

4.24

-27.41

-23.17
20 yDIYyVMLLFM

5.16

-28.29

-23.13
21 FyIYyVMLLFM

4.77

-27.72

-22.95
22 yDIsyVyLLFM

4.51

-27.42

-22.91
23 DDIsyVyLLFM

5.44

-28.19

-22.75
24 yyIYyVMLLFM

5.13

-27.84

-22.71
25 FyIsyVMLLFM

5.3

-27.03

-21.73
26 FDIYyVMLLFM

6.6

-27.94

-21.34
27 DDIYyVMLLFM

5.12

-26.39

-21.27
28 FsIYyVMLLFM

4.13

-25.07

-20.94
29 DyIYyVMLLFM

5.71

-24.36

-18.65
30 DsIsyVMLLFM

5.35

-21.66

-16.31

 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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