Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-6.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    

(Help)

Intraclash 1.582 ΔGbinding 3.887
TOTAL
 5.469
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.495
Van der Waals -3.468 Backbone clash 0.345
Electrostatics 0.115 Helix dipole 0.000
Solvation Polar 3.631 Water bridges -0.049
Solvation Hyd -4.748 Disulfide 0.000
VdW clashes 5.070 Electrost. Kon 0.112
Entropy sc 0.425 Part.cov.bonds 0.000
Entropy mc

2.579

 ΔGstability

18.190
       

Predicted ligand sequences for model [YSC84_2A08-6.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_2A08-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFRMGWRPPR 0.0
2 RFRMGWMPPR 0.01
3 RFRMGLRPPR 0.03
4 RFRMGLMPPR 0.04
5 RFRMGFRPPR 0.07
6 RFRMGFMPPR 0.09
7 RFRMGWRRPR 0.09
8 RFRMGWMRPR 0.1
9 RFRMGLRRPR 0.12
10 RFRMGLMRPR 0.13
11 RFRMGWRHPR 0.15
12 RFRMGFRRPR 0.16
13 RFRMGWMHPR 0.17
14 RFRMGFMRPR 0.17
15 RFRMGLRHPR 0.18
16 RFRMGLMHPR 0.19
17 RFRRGWRPPR 0.19
18 RLRMGWRPPR 0.2
19 RLRMGWMPPR 0.21
20 RFHMGWRPPR 0.21
21 RFRRGWMPPR 0.21
22 RFRMGFRHPR 0.22
23 RFHMGWMPPR 0.22
24 RFRRGLRPPR 0.22
25 RLRMGLRPPR 0.23
26 RFIMGWRPPR 0.23
27 RFRMGFMHPR 0.24
28 RLRMGLMPPR 0.24
29 RFIMGWMPPR 0.24
30 RFRRGLMPPR 0.24
31 RFHMGLRPPR 0.24
32 RFRMGWRPMR 0.25
33 RFHMGLMPPR 0.25
34 RFRMGWMPMR 0.26
35 RFIMGLRPPR 0.26
36 RLRMGFRPPR 0.27
37 RFIMGLMPPR 0.27
38 RFRRGFRPPR 0.27
39 RFRMGWRPPY 0.27
40 RFRMGWRPRR 0.27
41 RFRMGLRPMR 0.28
42 RWRMGWRPPR 0.28
43 RFRRGFMPPR 0.28
44 RFRRGWRRPR 0.28
45 RFRMGWMPPY 0.28
46 RFHMGFRPPR 0.28
47 RLRMGWRRPR 0.29
48 RFRMGLRPPY 0.29
49 RFRMGLMPMR 0.29
50 RFHMGFMPPR 0.29
51 RFRMGWMPRR 0.29
52 RLRMGFMPPR 0.29
53 RWRMGWMPPR 0.3
54 RLRMGWMRPR 0.3
55 RFHMGWRRPR 0.3
56 RFRMGLRPRR 0.3
57 RFRRGWMRPR 0.3
58 RFIMGFRPPR 0.3
59 RFHMGWMRPR 0.31
60 RWRMGLRPPR 0.31
61 RFRMGLMPRR 0.31
62 RFRRGLRRPR 0.31
63 RFRMGLMPPY 0.31
64 RFIMGWRRPR 0.32
65 RFRMGWHPPR 0.32
66 RFRRGLMRPR 0.32
67 RFRMGFRPMR 0.32
68 RFHMGLRRPR 0.32
69 RFIMGFMPPR 0.32
70 RLRMGLRRPR 0.32
71 RLRMGLMRPR 0.33
72 RFIMGWMRPR 0.33
73 RFRMGFMPMR 0.33
74 RWRMGLMPPR 0.33
75 RFRMGWRRMR 0.34
76 RFRMGFRPPY 0.34
77 RFRRGWRHPR 0.34
78 RFHMGLMRPR 0.34
79 RFRMGFMPPY 0.35
80 RFRMGFRPRR 0.35
81 RFRRGFRRPR 0.35
82 RLRMGWRHPR 0.35
83 RFIMGLRRPR 0.35
84 RFRMGLHPPR 0.35
85 RFRMGWMRMR 0.35
86 RFRRGWMHPR 0.36
87 RFRMGWRRRR 0.36
88 RFRMGFMPRR 0.36
89 RFRMGWRRPY 0.36
90 RLRMGFRRPR 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RFRMGWMRPR

1.39

-7.47

-6.08
2 RFRMGLMRPR

1.26

-7.33

-6.07
3 RFRMGWMHPR

1.33

-7.09

-5.76
4 RFRMGLMHPR

1.3

-7.0

-5.7
5 RFRMGFMRPR

1.36

-6.71

-5.35
6 RFRMGFMHPR

1.21

-6.47

-5.26
7 RLRMGLMPPR

1.32

-6.51

-5.19
8 RFRMGFMPPR

1.07

-6.13

-5.06
9 RFHMGWRPPR

1.49

-6.55

-5.06
10 RLRMGLRPPR

1.45

-6.38

-4.93
11 RLRMGWMPPR

1.27

-6.13

-4.86
12 RFRMGWRRPR

1.3

-6.09

-4.79
13 RFHMGWMPPR

1.17

-5.94

-4.77
14 RLRMGWRPPR

1.58

-6.31

-4.73
15 RFRMGFRPPR

1.42

-6.13

-4.71
16 RFRMGLRRPR

1.37

-6.07

-4.7
17 RFRMGFRRPR

1.23

-5.93

-4.7
18 RFRMGWMPPR

1.21

-5.9

-4.69
19 RFRMGWRPPR

1.53

-6.13

-4.6
20 RFIMGWMPPR

1.07

-5.62

-4.55
21 RFRMGWRHPR

1.29

-5.82

-4.53
22 RFRMGLMPPR

1.36

-5.79

-4.43
23 RFRMGLRPPR

1.58

-6.01

-4.43
24 RFIMGWRPPR

1.69

-6.09

-4.4
25 RFRMGFRHPR

1.35

-5.7

-4.35
26 RFRRGWRPPR

1.57

-5.92

-4.35
27 RFRRGLRPPR

1.52

-5.66

-4.14
28 RFRRGWMPPR

1.34

-5.2

-3.86
29 RFRMGLRHPR

1.2

-5.03

-3.83
30 RFRRGLMPPR

1.44

-5.22

-3.78

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER