Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D2_1JO8-23.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7
poly-Ala
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 4.889 ΔGbinding 1.875
TOTAL
 6.764
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.428
Van der Waals -2.394 Backbone clash -0.000
Electrostatics -0.132 Helix dipole 0.000
Solvation Polar 2.883 Water bridges -0.005
Solvation Hyd -3.111 Disulfide 0.000
VdW clashes 3.478 Electrost. Kon -0.194
Entropy sc 0.512 Part.cov.bonds 0.000
Entropy mc

1.685

 ΔGstability

88.146
       

Predicted ligand sequences for model [SLA1-D2_1JO8-23.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).
 
  SLA1-D2_1JO8-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRGRYE 0.0
2 RPRGPYE 0.07
3 RKRGRYE 0.15
4 RPRGKYE 0.16
5 RRRGRYE 0.19
6 RKRGPYE 0.22
7 RPRGHYE 0.24
8 RRRGPYE 0.26
9 RKRGKYE 0.3
10 RPRGLYE 0.31
11 RQRGRYE 0.32
12 RHRGRYE 0.32
13 RRRGKYE 0.34
14 RKRGHYE 0.39
15 RHRGPYE 0.39
16 RQRGPYE 0.4
17 RRRGHYE 0.43
18 RKRGLYE 0.45
19 RPRGRWE 0.45
20 RQRGKYE 0.48
21 RHRGKYE 0.48
22 RRRGLYE 0.49
23 RPRGRRE 0.52
24 RPRGPWE 0.53
25 RHRGHYE 0.56
26 RQRGHYE 0.56
27 MPRGRYE 0.59
28 RKRGRWE 0.6
29 RPRGPRE 0.6
30 RPRGKWE 0.61
31 RQRGLYE 0.63
32 RHRGLYE 0.63
33 RRRGRWE 0.64
34 MPRGPYE 0.66
35 RKRGRRE 0.67
36 RKRGPWE 0.67
37 RPRGKRE 0.68
38 RPRGHWE 0.7
39 RRRGRRE 0.71
40 RRRGPWE 0.71
41 MKRGRYE 0.73
42 RKRGPRE 0.74
43 MPRGKYE 0.75
44 RPRGLWE 0.76
45 RKRGKWE 0.76
46 RQRGRWE 0.77
47 RHRGRWE 0.77
48 RPRGHRE 0.77
49 MRRGRYE 0.77
50 RRRGPRE 0.79
51 RRRGKWE 0.8
52 MKRGPYE 0.81
53 RKRGKRE 0.83
54 MPRGHYE 0.83
55 RPRGLRE 0.83
56 RQRGRRE 0.84
57 RKRGHWE 0.84
58 RHRGRRE 0.84
59 RHRGPWE 0.85
60 MRRGPYE 0.85
61 RQRGPWE 0.85
62 RRRGKRE 0.87
63 RRRGHWE 0.88
64 MKRGKYE 0.89
65 MPRGLYE 0.9
66 MQRGRYE 0.91
67 RKRGLWE 0.91
68 MHRGRYE 0.91
69 RQRGPRE 0.92
70 RKRGHRE 0.92
71 RHRGPRE 0.92
72 MRRGKYE 0.93
73 RQRGKWE 0.93
74 RHRGKWE 0.93
75 RRRGLWE 0.95
76 RRRGHRE 0.96
77 MQRGPYE 0.98
78 MKRGHYE 0.98
79 MHRGPYE 0.98
80 RKRGLRE 0.98
81 RHRGKRE 1.0
82 RQRGKRE 1.0
83 RHRGHWE 1.02
84 RQRGHWE 1.02
85 MRRGHYE 1.02
86 RRRGLRE 1.02
87 MKRGLYE 1.04
88 MPRGRWE 1.04
89 MQRGKYE 1.07
90 MHRGKYE 1.07
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 RPRGRRE

2.52

-5.76

-3.24
2 RPRGPRE

2.41

-4.68

-2.27
3 RHRGRYE

2.49

-4.75

-2.26
4 RHRGKYE

2.45

-4.67

-2.22
5 RHRGPYE

2.26

-4.45

-2.19
6 RKRGLYE

2.08

-4.23

-2.15
7 RRRGHYE

2.26

-4.4

-2.14
8 RPRGPWE

2.26

-4.3

-2.04
9 RRRGRYE

2.59

-4.59

-2.0
10 RRRGKYE

2.45

-4.41

-1.96
11 RKRGPYE

2.06

-4.01

-1.95
12 RRRGPYE

2.42

-4.35

-1.93
13 RHRGHYE

2.48

-4.26

-1.78
14 RKRGRWE

3.36

-5.14

-1.78
15 RPRGRWE

2.44

-4.22

-1.78
16 MPRGRYE

2.12

-3.81

-1.69
17 RPRGRYE

2.32

-4.01

-1.69
18 RPRGKWE

2.91

-4.57

-1.66
19 RPRGKYE

2.41

-4.0

-1.59
20 RPRGPYE

2.27

-3.83

-1.56
21 RQRGPYE

2.29

-3.63

-1.34
22 RKRGHYE

2.55

-3.86

-1.31
23 RPRGLYE

2.41

-3.66

-1.25
24 RRRGLYE

2.92

-4.02

-1.1
25 RKRGRYE

3.0

-4.01

-1.01
26 RQRGRYE

3.08

-3.84

-0.76
27 RQRGHYE

2.82

-3.56

-0.74
28 RKRGKYE

3.03

-3.59

-0.56
29 RPRGHYE

2.86

-3.25

-0.39
30 RQRGKYE

3.19

-3.27

-0.08

 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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