Predicted ligand sequences


ADAN-name: 1XH62.PDB (view again the scoring matrix)

PDB name: [1XH6.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala
A
A
 A
A
 A
A
A
A
A
G
A
 A G
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 2.490 ΔGbinding -34.711
TOTAL
 -32.221
Backbone Hb -4.825 Cis_bond 0.000
Sidechain Hb -15.250 Torsional clash 1.262
Van der Waals -17.963 Backbone clash 0.623
Electrostatics -13.312 Helix dipole 0.113
Solvation Polar 27.409 Water bridges -0.628
Solvation Hyd -22.001 Disulfide 0.000
VdW clashes 0.561 Electrost. Kon -5.370
Entropy sc 9.567 Part.cov.bonds 0.000
Entropy mc

5.726

 ΔGstability

-76.394
       

Predicted ligand sequences for template [1XH62.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).
 
  1XH62.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERMyRFWKMRRRGRRRWWWY 0.0
2 ERMyRFWKMRRRGRRRWWWF 0.0
3 ERMyRFWHMRRRGRRRWWWY 0.01
4 ERMyRFWHMRRRGRRRWWWF 0.01
5 ERMsRFWKMRRRGRRRWWWY 0.02
6 ERMsRFWKMRRRGRRRWWWF 0.02
7 ERMKRFWKMRRRGRRRWWWY 0.02
8 ERMKRFWKMRRRGRRRWWWF 0.02
9 ERMKRFWHMRRRGRRRWWWY 0.02
10 ERMKRFWHMRRRGRRRWWWF 0.02
11 ERMsRFWHMRRRGRRRWWWY 0.03
12 ERMsRFWHMRRRGRRRWWWF 0.03
13 ERMyRFWFMRRRGRRRWWWF 0.03
14 ERMyRFWFMRRRGRRRWWWY 0.03
15 DRMyRFWKMRRRGRRRWWWY 0.03
16 DRMyRFWKMRRRGRRRWWWF 0.03
17 DRMyRFWHMRRRGRRRWWWF 0.04
18 DRMyRFWHMRRRGRRRWWWY 0.04
19 sRMyRFWKMRRRGRRRWWWF 0.04
20 sRMyRFWKMRRRGRRRWWWY 0.04
21 ERMKRFWFMRRRGRRRWWWY 0.04
22 ERMKRFWFMRRRGRRRWWWF 0.04
23 sRMyRFWHMRRRGRRRWWWY 0.04
24 sRMyRFWHMRRRGRRRWWWF 0.04
25 ERMsRFWFMRRRGRRRWWWF 0.05
26 ERMsRFWFMRRRGRRRWWWY 0.05
27 sRMKRFWKMRRRGRRRWWWY 0.05
28 sRMKRFWKMRRRGRRRWWWF 0.05
29 DRMsRFWKMRRRGRRRWWWF 0.05
30 DRMKRFWKMRRRGRRRWWWF 0.05
31 DRMKRFWKMRRRGRRRWWWY 0.05
32 ERMyRFWKMRRRGRRRPWWY 0.05
33 ERMyRFWKMRRRGRRRPWWF 0.05
34 DRMsRFWKMRRRGRRRWWWY 0.05
35 DRMyRFWFMRRRGRRRWWWY 0.06
36 DRMyRFWFMRRRGRRRWWWF 0.06
37 DRMsRFWHMRRRGRRRWWWF 0.06
38 DRMsRFWHMRRRGRRRWWWY 0.06
39 ERMyRFWHMRRRGRRRPWWF 0.06
40 ERMyRFWHMRRRGRRRPWWY 0.06
41 DRMKRFWHMRRRGRRRWWWY 0.06
42 DRMKRFWHMRRRGRRRWWWF 0.06
43 sRMsRFWKMRRRGRRRWWWY 0.06
44 sRMsRFWKMRRRGRRRWWWF 0.06
45 sRMyRFWFMRRRGRRRWWWF 0.06
46 sRMyRFWFMRRRGRRRWWWY 0.06
47 sRMsRFWHMRRRGRRRWWWY 0.06
48 sRMsRFWHMRRRGRRRWWWF 0.06
49 sRMKRFWHMRRRGRRRWWWY 0.06
50 sRMKRFWHMRRRGRRRWWWF 0.06
51 ERMKRFWKMRRRGRRRPWWY 0.07
52 ERMKRFWKMRRRGRRRPWWF 0.07
53 ERMsRFWKMRRRGRRRPWWF 0.07
54 ERMsRFWKMRRRGRRRPWWY 0.07
55 DRMsRFWFMRRRGRRRWWWY 0.08
56 DRMsRFWFMRRRGRRRWWWF 0.08
57 ERMyRFWFMRRRGRRRPWWF 0.08
58 ERMyRFWFMRRRGRRRPWWY 0.08
59 DRMyRFWKMRRRGRRRPWWY 0.08
60 ERMKRFWHMRRRGRRRPWWF 0.08
61 sRMsRFWFMRRRGRRRWWWY 0.08
62 DRMKRFWFMRRRGRRRWWWY 0.08
63 DRMKRFWFMRRRGRRRWWWF 0.08
64 sRMsRFWFMRRRGRRRWWWF 0.08
65 sRMKRFWFMRRRGRRRWWWF 0.08
66 sRMKRFWFMRRRGRRRWWWY 0.08
67 ERMKRFWHMRRRGRRRPWWY 0.08
68 ERMsRFWHMRRRGRRRPWWY 0.08
69 ERMsRFWHMRRRGRRRPWWF 0.08
70 DRMyRFWKMRRRGRRRPWWF 0.08
71 sRMyRFWHMRRRGRRRPWWF 0.09
72 DRMyRFWHMRRRGRRRPWWF 0.09
73 ERMKRFWFMRRRGRRRPWWF 0.09
74 ERMKRFWFMRRRGRRRPWWY 0.09
75 sRMyRFWKMRRRGRRRPWWF 0.09
76 sRMyRFWKMRRRGRRRPWWY 0.09
77 DRMyRFWHMRRRGRRRPWWY 0.09
78 sRMyRFWHMRRRGRRRPWWY 0.09
79 ERMsRFWFMRRRGRRRPWWY 0.1
80 ERMsRFWFMRRRGRRRPWWF 0.1
81 sRMKRFWKMRRRGRRRPWWF 0.1
82 sRMKRFWKMRRRGRRRPWWY 0.1
83 DRMKRFWKMRRRGRRRPWWF 0.1
84 DRMKRFWKMRRRGRRRPWWY 0.1
85 sRMsRFWKMRRRGRRRPWWY 0.11
86 sRMyRFWFMRRRGRRRPWWY 0.11
87 sRMyRFWFMRRRGRRRPWWF 0.11
88 sRMKRFWHMRRRGRRRPWWY 0.11
89 sRMKRFWHMRRRGRRRPWWF 0.11
90 sRMsRFWKMRRRGRRRPWWF 0.11
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 DRMsRFWKMRRRGRRRWWWF

5.09

-44.47

-39.38
2 DRMyRFWKMRRRGRRRWWWY

5.08

-44.28

-39.2
3 ERMsRFWKMRRRGRRRWWWF

4.7

-43.17

-38.47
4 ERMsRFWHMRRRGRRRWWWF

4.91

-42.84

-37.93
5 ERMsRFWFMRRRGRRRWWWF

5.45

-43.01

-37.56
6 ERMKRFWFMRRRGRRRWWWF

5.26

-42.56

-37.3
7 DRMKRFWKMRRRGRRRWWWF

4.82

-42.03

-37.21
8 ERMsRFWKMRRRGRRRWWWY

4.95

-42.11

-37.16
9 sRMyRFWHMRRRGRRRWWWF

5.33

-42.11

-36.78
10 ERMsRFWFMRRRGRRRWWWY

5.05

-41.47

-36.42
11 DRMyRFWHMRRRGRRRWWWF

5.63

-41.89

-36.26
12 sRMyRFWHMRRRGRRRWWWY

5.79

-41.96

-36.17
13 sRMyRFWKMRRRGRRRWWWF

4.64

-40.7

-36.06
14 ERMsRFWHMRRRGRRRWWWY

5.24

-41.22

-35.98
15 ERMyRFWKMRRRGRRRWWWY

5.33

-41.14

-35.81
16 ERMyRFWFMRRRGRRRWWWY

5.87

-41.66

-35.79
17 ERMyRFWHMRRRGRRRWWWF

6.01

-41.78

-35.77
18 sRMKRFWKMRRRGRRRWWWF

4.85

-40.15

-35.3
19 ERMKRFWHMRRRGRRRWWWF

4.95

-40.17

-35.22
20 ERMKRFWKMRRRGRRRWWWY

6.23

-41.4

-35.17
21 ERMKRFWHMRRRGRRRWWWY

5.82

-40.53

-34.71
22 DRMyRFWHMRRRGRRRWWWY

8.41

-41.99

-33.58
23 sRMKRFWKMRRRGRRRWWWY

7.18

-40.72

-33.54
24 ERMyRFWFMRRRGRRRWWWF

8.14

-41.42

-33.28
25 ERMKRFWKMRRRGRRRWWWF

8.24

-40.77

-32.53
26 sRMyRFWKMRRRGRRRWWWY

5.35

-37.32

-31.97
27 DRMyRFWKMRRRGRRRWWWF

8.23

-39.73

-31.5
28 ERMyRFWKMRRRGRRRWWWF

8.55

-39.95

-31.4
29 ERMKRFWFMRRRGRRRWWWY

8.18

-38.99

-30.81
30 ERMyRFWHMRRRGRRRWWWY

8.49

-38.65

-30.16

 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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