Predicted ligand sequences


ADAN-name: 2JIL2.PDB (view again the scoring matrix)

PDB name: [2JIL.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V S E T A V
position 1 2 3 4 5 6
poly-Ala 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 0.564 ΔGbinding -10.800
TOTAL
 -10.236
Backbone Hb -7.890 Cis_bond 0.000
Sidechain Hb -3.380 Torsional clash 0.020
Van der Waals -8.330 Backbone clash 0.750
Electrostatics -0.820 Helix dipole 0.050
Solvation Polar 14.150 Water bridges -0.070
Solvation Hyd -10.870 Disulfide 0.000
VdW clashes 0.340 Electrost. Kon -0.620
Entropy sc 3.870 Part.cov.bonds 0.000
Entropy mc

2.740

 ΔGstability

-5.510
       

Predicted ligand sequences for template [2JIL2.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).
 
  2JIL2.PDB  

(data)
# Predicted Sequences Value Calculate
1 EMMDML 0.0
2 LMMDML 0.04
3 EMMMML 0.06
4 WMMDML 0.07
5 MMMDML 0.09
6 LMMMML 0.1
7 WMMMML 0.13
8 MMMMML 0.15
9 EDMDML 0.16
10 EMMLML 0.18
11 LDMDML 0.2
12 EWMDML 0.22
13 LMMLML 0.22
14 EDMMML 0.22
15 WDMDML 0.23
16 WMMLML 0.24
17 MDMDML 0.25
18 LWMDML 0.26
19 LDMMML 0.26
20 MMMLML 0.27
21 WWMDML 0.28
22 EWMMML 0.28
23 EMEDML 0.29
24 WDMMML 0.29
25 MDMMML 0.31
26 MWMDML 0.31
27 EEMDML 0.31
28 LWMMML 0.32
29 LMEDML 0.33
30 EDMLML 0.34
31 WWMMML 0.35
32 EMEMML 0.35
33 LEMDML 0.35
34 WMEDML 0.35
35 EMMTML 0.37
36 MWMMML 0.37
37 LDMLML 0.38
38 EEMMML 0.38
39 WEMDML 0.38
40 MMEDML 0.38
41 LMEMML 0.39
42 MEMDML 0.4
43 WDMLML 0.4
44 EWMLML 0.4
45 LEMMML 0.41
46 WMEMML 0.41
47 LMMTML 0.41
48 MDMLML 0.43
49 WMMTML 0.43
50 LWMLML 0.44
51 WEMMML 0.44
52 MMEMML 0.44
53 EDEDML 0.45
54 WWMLML 0.46
55 MMMTML 0.46
56 EMELML 0.46
57 MEMMML 0.47
58 MWMLML 0.49
59 LDEDML 0.49
60 EEMLML 0.49
61 LMELML 0.5
62 EDEMML 0.51
63 EWEDML 0.51
64 WDEDML 0.51
65 LEMLML 0.53
66 WMELML 0.53
67 EDMTML 0.53
68 LWEDML 0.54
69 MDEDML 0.54
70 MMELML 0.55
71 LDEMML 0.55
72 WEMLML 0.56
73 WWEDML 0.57
74 EWEMML 0.57
75 LDMTML 0.57
76 WDEMML 0.57
77 MEMLML 0.58
78 EWMTML 0.59
79 WDMTML 0.59
80 MWEDML 0.59
81 EEEDML 0.6
82 MDEMML 0.6
83 LWEMML 0.61
84 MDMTML 0.62
85 WWEMML 0.63
86 EDELML 0.63
87 LWMTML 0.63
88 LEEDML 0.64
89 WWMTML 0.65
90 EMETML 0.65
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EDMMML

0.73

-16.23

-15.5
2 MMMDML

1.4

-16.39

-14.99
3 EMEDML

1.8

-16.58

-14.78
4 LMEDML

1.09

-15.85

-14.76
5 WDMDML

1.64

-16.05

-14.41
6 MWMDML

1.66

-15.98

-14.32
7 LWMDML

1.16

-15.48

-14.32
8 WMMDML

1.95

-16.17

-14.22
9 EMMDML

1.05

-15.23

-14.18
10 LDMDML

0.83

-14.94

-14.11
11 EDMDML

0.73

-14.73

-14.0
12 MDMDML

0.84

-14.72

-13.88
13 EWMDML

1.24

-14.61

-13.37
14 WDMMML

0.77

-13.82

-13.05
15 EEMDML

1.16

-14.13

-12.97
16 LMMDML

2.68

-15.02

-12.34
17 WWMDML

1.21

-13.37

-12.16
18 EDMLML

0.83

-12.14

-11.31
19 MDMMML

0.75

-12.04

-11.29
20 LDMMML

1.01

-12.14

-11.13
21 MMMLML

1.3

-12.28

-10.98
22 MMMMML

1.51

-12.38

-10.87
23 EMMLML

1.05

-11.87

-10.82
24 WMMLML

3.68

-14.36

-10.68
25 LMMLML

1.07

-11.7

-10.63
26 EMMMML

1.33

-11.91

-10.58
27 LWMMML

1.55

-11.95

-10.4
28 EWMMML

2.15

-12.45

-10.3
29 WMMMML

1.64

-11.47

-9.83
30 LMMMML

1.69

-11.15

-9.46

 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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