Predicted ligand sequences (modelled structure)


ADAN-name: SDC25_1JO8-19.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
G
 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 10.100 ΔGbinding -2.561
TOTAL
 7.539
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.159
Van der Waals -4.674 Backbone clash 0.009
Electrostatics -0.072 Helix dipole 0.000
Solvation Polar 5.234 Water bridges 0.000
Solvation Hyd -6.984 Disulfide 0.000
VdW clashes 2.085 Electrost. Kon -0.101
Entropy sc 0.750 Part.cov.bonds 0.000
Entropy mc

4.091

 ΔGstability

102.884
       

Predicted ligand sequences for model [SDC25_1JO8-19.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_1JO8-19.PDB  

(data)
# Predicted Sequences Value Calculate
1 IPSEPGEEF 0.0
2 IPSERGEEF 0.02
3 IPSEPGEKF 0.05
4 IPSERGEKF 0.07
5 MPSEPGEEF 0.07
6 MPSERGEEF 0.09
7 VPSEPGEEF 0.1
8 VPSERGEEF 0.12
9 MPSEPGEKF 0.12
10 IPSEPGDEF 0.13
11 MPSERGEKF 0.14
12 VPSEPGEKF 0.15
13 IPSERGDEF 0.15
14 VPSERGEKF 0.17
15 IPSEPGDKF 0.18
16 MPSEPGDEF 0.19
17 IPSERGDKF 0.2
18 MPSERGDEF 0.21
19 VPSEPGDEF 0.23
20 IPSEYGEEF 0.23
21 MPSEPGDKF 0.24
22 VPSERGDEF 0.25
23 MPSERGDKF 0.26
24 IPSEPGEMF 0.27
25 VPSEPGDKF 0.28
26 IPSEYGEKF 0.28
27 MPSEYGEEF 0.29
28 IPSERGEMF 0.29
29 VPSERGDKF 0.3
30 VPSEYGEEF 0.33
31 MPSEYGEKF 0.34
32 MPSEPGEMF 0.34
33 IPSEYGDEF 0.35
34 MPSERGEMF 0.36
35 VPSEPGEMF 0.37
36 VPSEYGEKF 0.38
37 VPSERGEMF 0.39
38 IPSEPGDMF 0.4
39 IPSEYGDKF 0.4
40 IPSEPGEEW 0.4
41 IPSEPGMEF 0.42
42 MPSEYGDEF 0.42
43 IPSERGDMF 0.42
44 IPSERGEEW 0.43
45 IPSERGMEF 0.44
46 IVSEPGEEF 0.45
47 IPSEPGEKW 0.45
48 VPSEYGDEF 0.45
49 MPSEPGDMF 0.47
50 IPSEPGMKF 0.47
51 IVSERGEEF 0.47
52 MPSEYGDKF 0.47
53 MPSEPGEEW 0.47
54 IPSERGEKW 0.48
55 IPIEPGEEF 0.48
56 MPSERGDMF 0.49
57 MPSEPGMEF 0.49
58 IPSERGMKF 0.49
59 MPSERGEEW 0.49
60 VPSEPGDMF 0.5
61 IVSEPGEKF 0.5
62 IPIERGEEF 0.5
63 IPSEYGEMF 0.5
64 VPSEYGDKF 0.5
65 VPSEPGEEW 0.5
66 MVSEPGEEF 0.51
67 MPSERGMEF 0.51
68 VPSERGDMF 0.52
69 VPSEPGMEF 0.52
70 MPSEPGEKW 0.52
71 IVSERGEKF 0.52
72 IPIEPGEKF 0.53
73 IPSEPGDEW 0.53
74 VPSERGEEW 0.53
75 MVSERGEEF 0.53
76 MPSEPGMKF 0.54
77 MPIEPGEEF 0.54
78 MPSERGEKW 0.54
79 VPSERGMEF 0.54
80 VVSEPGEEF 0.55
81 VPSEPGEKW 0.55
82 IPSERGDEW 0.55
83 IPIERGEKF 0.55
84 MVSEPGEKF 0.56
85 MPSERGMKF 0.56
86 MPSEYGEMF 0.56
87 VVSERGEEF 0.57
88 IVSEPGDEF 0.57
89 VPSEPGMKF 0.57
90 MPIERGEEF 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPSEPGEKF

4.77

-8.54

-3.77
2 IPSEPGDKF

4.93

-8.69

-3.76
3 MPSEPGDEF

4.61

-8.36

-3.75
4 MPSERGDEF

4.74

-8.47

-3.73
5 VPSEPGEEF

5.22

-8.72

-3.5
6 VPSEPGDEF

4.83

-8.25

-3.42
7 MPSEYGEEF

4.94

-8.16

-3.22
8 MPSEPGDKF

4.69

-7.9

-3.21
9 IPSEPGEKF

4.58

-7.73

-3.15
10 MPSERGDKF

5.31

-8.35

-3.04
11 IPSERGDEF

4.53

-7.55

-3.02
12 VPSERGDEF

4.66

-7.6

-2.94
13 IPSEPGDEF

4.6

-7.53

-2.93
14 IPSEPGEEF

5.04

-7.92

-2.88
15 MPSEPGEEF

4.71

-7.52

-2.81
16 VPSEPGDKF

4.71

-7.44

-2.73
17 VPSEYGEEF

5.28

-7.96

-2.68
18 MPSERGEEF

4.88

-7.48

-2.6
19 VPSERGEEF

4.98

-7.46

-2.48
20 IPSERGEEF

5.01

-7.48

-2.47
21 IPSEPGEMF

5.13

-7.59

-2.46
22 MPSERGEKF

4.67

-7.1

-2.43
23 IPSERGDKF

4.8

-7.12

-2.32
24 VPSEPGEKF

4.81

-7.04

-2.23
25 VPSERGDKF

4.93

-6.75

-1.82
26 IPSERGEMF

4.74

-6.42

-1.68
27 IPSEYGEKF

4.86

-6.4

-1.54
28 VPSERGEKF

4.82

-6.07

-1.25
29 IPSEYGEEF

5.15

-6.27

-1.12
30 IPSERGEKF

4.98

-5.5

-0.52

 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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