Predicted ligand sequences


ADAN-name: 1SSH2.PDB (view again the scoring matrix)

PDB name: [1SSH.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G P P P A M P A R P T
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
G
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 0.611 ΔGbinding -18.100
TOTAL
 -17.489
Backbone Hb -1.420 Cis_bond 0.000
Sidechain Hb -4.370 Torsional clash 0.020
Van der Waals -8.900 Backbone clash 0.420
Electrostatics -3.150 Helix dipole 0.000
Solvation Polar 7.610 Water bridges -0.450
Solvation Hyd -11.550 Disulfide 0.000
VdW clashes 0.070 Electrost. Kon -1.610
Entropy sc 4.480 Part.cov.bonds 0.000
Entropy mc

1.180

 ΔGstability

-15.000
       

Predicted ligand sequences for template [1SSH2.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).
 
  1SSH2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FDRPRMPRRRR 0.0
2 FDRPRMPHRRR 0.01
3 YDRPRMPRRRR 0.02
4 YDRPRMPHRRR 0.03
5 FDRPRMPRRMR 0.05
6 FDRPRMPHRMR 0.06
7 FRRPRMPRRRR 0.06
8 YDRPRMPRRMR 0.07
9 FRRPRMPHRRR 0.07
10 ADRPRMPRRRR 0.07
11 FKRPRMPRRRR 0.08
12 YRRPRMPRRRR 0.08
13 YDRPRMPHRMR 0.08
14 FKRPRMPHRRR 0.09
15 ADRPRMPHRRR 0.09
16 YRRPRMPHRRR 0.09
17 YKRPRMPRRRR 0.1
18 YKRPRMPHRRR 0.11
19 FRRPRMPRRMR 0.11
20 ADRPRMPRRMR 0.12
21 FRRPRMPHRMR 0.12
22 YRRPRMPRRMR 0.13
23 FDRPRMPRRRH 0.13
24 ARRPRMPRRRR 0.13
25 FKRPRMPRRMR 0.13
26 FKRPRMPHRMR 0.14
27 ADRPRMPHRMR 0.14
28 FDRPRMPHRRH 0.14
29 YRRPRMPHRMR 0.14
30 YKRPRMPRRMR 0.15
31 FDRPRMPRRRK 0.15
32 YDRPRMPRRRH 0.15
33 ARRPRMPHRRR 0.15
34 AKRPRMPRRRR 0.16
35 YKRPRMPHRMR 0.16
36 FDRPRMPHRRK 0.16
37 YDRPRMPHRRH 0.16
38 AKRPRMPHRRR 0.17
39 YDRPRMPRRRK 0.17
40 ARRPRMPRRMR 0.18
41 FDRPRMPRRMH 0.18
42 YDRPRMPHRRK 0.18
43 FDRPRMPHRMH 0.19
44 FRRPRMPRRRH 0.19
45 AKRPRMPRRMR 0.2
46 YDRPRMPRRMH 0.2
47 FDRPRMPRRMK 0.2
48 FRRPRMPHRRH 0.2
49 ARRPRMPHRMR 0.2
50 FDRPRMPHRMK 0.21
51 FKRPRMPRRRH 0.21
52 ADRPRMPRRRH 0.21
53 FRRPRMPRRRK 0.21
54 YRRPRMPRRRH 0.21
55 YDRPRMPHRMH 0.21
56 FKRPRMPHRRH 0.22
57 YDRPRMPRRMK 0.22
58 AKRPRMPHRMR 0.22
59 ADRPRMPHRRH 0.22
60 FRRPRMPHRRK 0.22
61 ADRPRMPRRRK 0.22
62 YRRPRMPHRRH 0.22
63 YKRPRMPRRRH 0.23
64 FKRPRMPRRRK 0.23
65 YDRPRMPHRMK 0.23
66 YRRPRMPRRRK 0.23
67 FDRMRMPRRRR 0.23
68 YKRPRMPHRRH 0.24
69 FKRPRMPHRRK 0.24
70 ADRPRMPHRRK 0.24
71 FRRPRMPRRMH 0.24
72 YRRPRMPHRRK 0.24
73 FDRPRMPCRRR 0.24
74 ADRPRMPRRMH 0.25
75 YKRPRMPRRRK 0.25
76 YDRMRMPRRRR 0.25
77 FDRMRMPHRRR 0.25
78 FRRPRMPHRMH 0.25
79 YKRPRMPHRRK 0.26
80 YRRPRMPRRMH 0.26
81 YDRPRMPCRRR 0.26
82 FRRPRMPRRMK 0.26
83 YDRMRMPHRRR 0.26
84 ARRPRMPRRRH 0.26
85 FKRPRMPRRMH 0.26
86 ADRPRMPRRMK 0.27
87 FKRPRMPHRMH 0.27
88 ADRPRMPHRMH 0.27
89 YRRPRMPHRMH 0.27
90 FRRPRMPHRMK 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FDRPRMPHRRH

1.36

-22.49

-21.13
2 FKRPRMPRRRR

1.55

-22.68

-21.13
3 FDRPRMPRRMR

1.15

-22.12

-20.97
4 FRRPRMPHRMR

1.22

-22.15

-20.93
5 FDRPRMPRRRH

1.64

-22.52

-20.88
6 YDRPRMPRRRR

1.44

-22.3

-20.86
7 YDRPRMPHRRR

1.64

-22.46

-20.82
8 YDRPRMPRRMR

1.18

-21.99

-20.81
9 FDRPRMPHRRR

1.77

-22.57

-20.8
10 FRRPRMPHRRR

1.32

-22.11

-20.79
11 FRRPRMPRRRR

2.0

-22.78

-20.78
12 FKRPRMPHRMR

1.21

-21.98

-20.77
13 YDRPRMPHRMR

1.31

-22.02

-20.71
14 ADRPRMPRRRR

1.77

-22.43

-20.66
15 YRRPRMPHRMR

1.49

-22.12

-20.63
16 YRRPRMPRRMR

1.33

-21.95

-20.62
17 FKRPRMPRRMR

1.27

-21.83

-20.56
18 YKRPRMPRRRR

1.93

-22.49

-20.56
19 ADRPRMPRRMR

1.07

-21.57

-20.5
20 YKRPRMPHRRR

1.75

-22.23

-20.48
21 FKRPRMPHRRR

1.57

-21.95

-20.38
22 YKRPRMPRRMR

1.37

-21.74

-20.37
23 FDRPRMPHRMR

1.44

-21.77

-20.33
24 FRRPRMPRRMR

1.33

-21.54

-20.21
25 YRRPRMPHRRR

1.56

-21.75

-20.19
26 FDRPRMPRRRR

1.86

-22.05

-20.19
27 ADRPRMPHRMR

0.95

-21.02

-20.07
28 YRRPRMPRRRR

2.27

-22.22

-19.95
29 ARRPRMPRRRR

1.81

-21.64

-19.83
30 ADRPRMPHRRR

1.87

-21.2

-19.33

 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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