Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1JO8-1.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    

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Intraclash 8.738 ΔGbinding -2.766
TOTAL
 5.972
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.997
Van der Waals -4.300 Backbone clash 0.138
Electrostatics -0.018 Helix dipole 0.000
Solvation Polar 4.435 Water bridges -0.013
Solvation Hyd -6.687 Disulfide 0.000
VdW clashes 1.105 Electrost. Kon -0.004
Entropy sc 0.584 Part.cov.bonds 0.000
Entropy mc

2.409

 ΔGstability

100.225
       

Predicted ligand sequences for model [SDC25_1JO8-1.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).
 
  SDC25_1JO8-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPEEDWEDFW 0.0
2 RPEEDWEDFY 0.01
3 RPEEDWEEFW 0.02
4 RPEEDWEEFY 0.04
5 RPDEDWEDFW 0.14
6 RPEEEWEDFW 0.14
7 RPEEEWEDFY 0.15
8 RPDEDWEDFY 0.16
9 RPEEEWEEFW 0.16
10 RPDEDWEEFW 0.16
11 RPEEEWEEFY 0.17
12 RPDEDWEEFY 0.18
13 RPEEDWEPFW 0.25
14 RPEEDWEPFY 0.27
15 RPDEEWEDFW 0.28
16 RPDEEWEDFY 0.29
17 RPDEEWEEFW 0.3
18 RPDEEWEEFY 0.31
19 RPLEDWEDFW 0.32
20 RPLEDWEDFY 0.34
21 RPLEDWEEFW 0.35
22 RPLEDWEEFY 0.36
23 RPEEEWEPFW 0.39
24 RPEEDWEDHW 0.39
25 RPDEDWEPFW 0.39
26 RPEEEWEPFY 0.4
27 RPEEDWEDHY 0.4
28 RPEEDWEDFF 0.41
29 RPEEDWEEHW 0.41
30 RPDEDWEPFY 0.41
31 RPEEDWEEHY 0.42
32 RPEEDWEEFF 0.43
33 RPEEDWEDLW 0.46
34 RPLEEWEDFW 0.46
35 RPEEDWEDLY 0.47
36 RPLEEWEEFW 0.48
37 RMEEDWEDFW 0.48
38 RPEEDWEELW 0.48
39 KPEEDWEDFW 0.48
40 RPLEEWEDFY 0.48
41 RPEEDWEELY 0.49
42 KPEEDWEDFY 0.49
43 RPLEEWEEFY 0.5
44 RMEEDWEDFY 0.5
45 KPEEDWEEFW 0.5
46 RMEEDWEEFW 0.51
47 RPEEEWEDHW 0.52
48 KPEEDWEEFY 0.52
49 RMEEDWEEFY 0.52
50 RPDEEWEPFW 0.53
51 RPDEDWEDHW 0.53
52 RPEEEWEDFF 0.54
53 RPEEEWEDHY 0.54
54 RPDEEWEPFY 0.54
55 RPEEEWEEHW 0.54
56 RPDEDWEDHY 0.54
57 RPDEDWEDFF 0.55
58 RPDEDWEEHW 0.55
59 RPDEDWEEHY 0.56
60 RPEEEWEEHY 0.56
61 RPLEDWEPFW 0.57
62 RPEEEWEEFF 0.57
63 RPDEDWEEFF 0.57
64 RPLEDWEPFY 0.59
65 RPDEDWEDLW 0.59
66 RPEEEWEDLW 0.59
67 RPEEEWEELW 0.61
68 RPDEDWEDLY 0.61
69 RPEEEWEDLY 0.61
70 RPDEDWEELW 0.62
71 KPEEEWEDFW 0.62
72 KPDEDWEDFW 0.62
73 RMEEEWEDFW 0.62
74 RMDEDWEDFW 0.62
75 RPDEDWEELY 0.63
76 RPEEEWEELY 0.63
77 KPEEEWEDFY 0.63
78 RPEEDWEPHW 0.64
79 RMEEEWEEFW 0.64
80 KPDEDWEDFY 0.64
81 RMEEEWEDFY 0.64
82 KPEEEWEEFW 0.64
83 KPDEDWEEFW 0.64
84 RMDEDWEDFY 0.64
85 RPEEDWEPHY 0.65
86 RMDEDWEEFW 0.65
87 KPEEEWEEFY 0.65
88 RPDEEWEDHW 0.66
89 RMDEDWEEFY 0.66
90 RPEEDWEPFF 0.66
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPEEDWEPFY

6.9

-8.86

-1.96
2 RPEEDWEDFY

6.85

-8.79

-1.94
3 RPDEDWEPFY

6.22

-8.07

-1.85
4 RPDEDWEDFY

6.58

-8.41

-1.83
5 RPEEEWEPFY

6.6

-8.02

-1.42
6 RPLEDWEDFY

6.35

-7.71

-1.36
7 RPEEDWEEFY

6.28

-7.39

-1.11
8 RPEEEWEEFY

6.6

-7.57

-0.97
9 RPDEDWEDFW

7.37

-8.34

-0.97
10 RPDEEWEDFW

6.88

-7.8

-0.92
11 RPEEDWEEFW

6.56

-7.47

-0.91
12 RPEEDWEPFW

6.48

-7.23

-0.75
13 RPEEEWEPFW

6.86

-7.56

-0.7
14 RPEEDWEEHW

6.63

-7.29

-0.66
15 RPDEEWEEFW

6.77

-7.38

-0.61
16 RPLEDWEEFY

6.87

-7.39

-0.52
17 RPEEEWEEFW

6.41

-6.84

-0.43
18 RPEEEWEDFY

6.18

-6.31

-0.13
19 RPEEDWEDFW

6.27

-6.23

0.04
20 RPEEDWEDHY

6.34

-6.06

0.28
21 RPLEDWEEFW

6.81

-6.52

0.29
22 RPEEDWEDFF

6.21

-5.8

0.41
23 RPEEDWEDHW

5.83

-5.35

0.48
24 RPDEDWEEFY

6.15

-5.63

0.52
25 RPDEDWEPFW

6.42

-5.82

0.6
26 RPDEDWEEFW

6.21

-5.45

0.76
27 RPDEEWEDFY

7.03

-6.2

0.83
28 RPEEEWEDFW

7.11

-5.88

1.23
29 RPDEEWEEFY

6.93

-5.58

1.35
30 RPLEDWEDFW

6.39

-4.93

1.46

 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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