Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1JO8-15.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
poly-Ala 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 5.127 ΔGbinding -1.499
TOTAL
 3.628
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.263
Van der Waals -3.103 Backbone clash 0.201
Electrostatics -0.168 Helix dipole 0.000
Solvation Polar 3.790 Water bridges 0.026
Solvation Hyd -4.637 Disulfide 0.000
VdW clashes 0.182 Electrost. Kon -0.188
Entropy sc 0.565 Part.cov.bonds 0.000
Entropy mc

3.045

 ΔGstability

94.906
       

Predicted ligand sequences for model [SDC25_1JO8-15.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_1JO8-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 REFIILLDL 0.0
2 REFIILEDL 0.01
3 REWIILLDL 0.02
4 RPFIILLDL 0.02
5 RPFIILEDL 0.03
6 REWIILEDL 0.03
7 RPWIILLDL 0.04
8 REEIILLDL 0.04
9 RPWIILEDL 0.05
10 REEIILEDL 0.05
11 RPEIILEDL 0.07
12 REFIILDDL 0.07
13 RPEIILLDL 0.07
14 RPFIILDDL 0.09
15 REWIILDDL 0.09
16 RPWIILDDL 0.11
17 REEIILDDL 0.11
18 REFMILLDL 0.12
19 REFMILEDL 0.13
20 RPEIILDDL 0.13
21 RPFMILLDL 0.14
22 REWMILLDL 0.14
23 REWMILEDL 0.15
24 RPFMILEDL 0.15
25 REEMILLDL 0.16
26 RPWMILLDL 0.17
27 REFIFLLDL 0.17
28 RPWMILEDL 0.17
29 REEMILEDL 0.17
30 REFIFLEDL 0.18
31 REFMILDDL 0.19
32 RPEMILLDL 0.19
33 REWIFLLDL 0.19
34 REFIVLLDL 0.19
35 RPFIFLLDL 0.2
36 REWIFLEDL 0.2
37 RPEMILEDL 0.2
38 RPFIFLEDL 0.2
39 REFIVLEDL 0.2
40 RPFMILDDL 0.21
41 REWMILDDL 0.21
42 REWIVLLDL 0.21
43 RPFIVLLDL 0.21
44 REWIVLEDL 0.22
45 REEIFLEDL 0.22
46 RPWIFLLDL 0.22
47 RPFIVLEDL 0.22
48 REEIFLLDL 0.22
49 REEIVLLDL 0.23
50 REEMILDDL 0.23
51 RPWIFLEDL 0.23
52 RPWMILDDL 0.23
53 REFIFLDDL 0.24
54 RPWIVLLDL 0.24
55 REEIVLEDL 0.24
56 RPEIFLLDL 0.24
57 RPWIVLEDL 0.24
58 RPEMILDDL 0.25
59 RPEIFLEDL 0.25
60 RPEIVLLDL 0.26
61 RPFIFLDDL 0.26
62 REWIFLDDL 0.26
63 REFIVLDDL 0.26
64 RPEIVLEDL 0.27
65 REEIFLDDL 0.28
66 RPWIFLDDL 0.28
67 REFIILLDE 0.28
68 REWIVLDDL 0.28
69 RPFIVLDDL 0.28
70 REFIILEDE 0.28
71 REFMFLLDL 0.29
72 RPWIVLDDL 0.3
73 REWIILLDE 0.3
74 REEIVLDDL 0.3
75 REFMFLEDL 0.3
76 RPFIILLDE 0.3
77 RPEIFLDDL 0.31
78 RPFIILEDE 0.31
79 REWIILEDE 0.31
80 REFMVLLDL 0.31
81 REWMFLEDL 0.32
82 REWMFLLDL 0.32
83 RPWIILLDE 0.32
84 REEIILLDE 0.32
85 RPFMFLEDL 0.32
86 REFMVLEDL 0.32
87 RPFMFLLDL 0.32
88 RPWIILEDE 0.33
89 REEIILEDE 0.33
90 RPEIVLDDL 0.33
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPEIILLDL

2.66

-6.09

-3.43
2 RPEIILEDL

2.84

-5.58

-2.74
3 RPFIILDDL

2.8

-5.5

-2.7
4 RPEIILDDL

2.85

-5.53

-2.68
5 RPFIILEDL

2.93

-5.54

-2.61
6 RPFIILLDL

2.86

-5.35

-2.49
7 RPWIILEDL

3.16

-5.42

-2.26
8 RPFMILLDL

3.76

-5.63

-1.87
9 RPFMILEDL

3.63

-5.47

-1.84
10 RPWIILLDL

3.57

-5.3

-1.73
11 REEMILLDL

3.01

-4.69

-1.68
12 REFIILEDL

3.36

-4.84

-1.48
13 RPWMILEDL

3.55

-4.97

-1.42
14 RPWMILLDL

3.76

-5.09

-1.33
15 REEIILLDL

3.07

-4.32

-1.25
16 REFIILDDL

2.99

-4.24

-1.25
17 REFIFLEDL

2.93

-4.15

-1.22
18 RPWIILDDL

3.75

-4.93

-1.18
19 REEIILDDL

3.02

-3.99

-0.97
20 REFIFLLDL

3.0

-3.94

-0.94
21 REWIILEDL

3.59

-4.47

-0.88
22 REWIILLDL

3.64

-4.38

-0.74
23 REWIILDDL

4.01

-4.72

-0.71
24 REEMILEDL

3.14

-3.78

-0.64
25 REEIILEDL

2.92

-3.5

-0.58
26 REFMILEDL

3.31

-3.52

-0.21
27 REFMILLDL

4.04

-4.13

-0.09
28 REFIILLDL

3.66

-3.59

0.07
29 REWMILLDL

4.2

-3.87

0.33
30 REWMILEDL

4.19

-3.66

0.53

 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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