Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D1_2A28-12.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala 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 3.864 ΔGbinding -0.534
TOTAL
 3.330
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.405
Van der Waals -2.072 Backbone clash 0.123
Electrostatics 0.121 Helix dipole 0.000
Solvation Polar 3.241 Water bridges 0.038
Solvation Hyd -2.804 Disulfide 0.000
VdW clashes 1.464 Electrost. Kon 0.090
Entropy sc 0.647 Part.cov.bonds 0.000
Entropy mc

1.386

 ΔGstability

105.910
       

Predicted ligand sequences for model [SLA1-D1_2A28-12.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-D1_2A28-12.PDB  

(data)
# Predicted Sequences Value Calculate
1 WEQKPRSK 0.0
2 WEQKRRSK 0.0
3 WKQKRRSK 0.05
4 WKQKPRSK 0.06
5 WEQKHRSK 0.1
6 WKQKHRSK 0.15
7 WEQKRRSH 0.18
8 WEQKPRSR 0.19
9 WEQKPRSH 0.19
10 WEQKRRSR 0.19
11 WKQKPRSR 0.24
12 WKQKRRSH 0.24
13 WKQKRRSR 0.24
14 WKQKPRSH 0.24
15 WEQKHRSH 0.28
16 WEQKHRSR 0.29
17 WEQRRRSK 0.33
18 WKQKHRSR 0.34
19 WKQKHRSH 0.34
20 WEQRPRSK 0.34
21 WKQRRRSK 0.39
22 REQKPRSK 0.39
23 WKQRPRSK 0.39
24 REQKRRSK 0.39
25 WEVKRRSK 0.42
26 WEVKPRSK 0.42
27 WEQRHRSK 0.43
28 RKQKRRSK 0.44
29 RKQKPRSK 0.45
30 WKVKRRSK 0.47
31 WKVKPRSK 0.47
32 WKQRHRSK 0.49
33 YEQKRRSK 0.49
34 REQKHRSK 0.49
35 YEQKPRSK 0.49
36 WEVKHRSK 0.52
37 WEQRRRSR 0.52
38 WEQRRRSH 0.52
39 WEQRPRSR 0.52
40 WEQRPRSH 0.52
41 YKQKRRSK 0.54
42 RKQKHRSK 0.55
43 YKQKPRSK 0.55
44 WKQRRRSH 0.57
45 WKVKHRSK 0.57
46 WKQRRRSR 0.57
47 WKQRPRSH 0.57
48 WKQRPRSR 0.57
49 REQKRRSH 0.57
50 REQKPRSR 0.58
51 REQKPRSH 0.58
52 REQKRRSR 0.58
53 YEQKHRSK 0.59
54 WEVKRRSR 0.6
55 WEVKPRSR 0.6
56 WEVKRRSH 0.6
57 WEVKPRSH 0.6
58 WEQRHRSR 0.62
59 WEQRHRSH 0.62
60 RKQKRRSH 0.63
61 RKQKRRSR 0.63
62 RKQKPRSH 0.63
63 RKQKPRSR 0.63
64 YKQKHRSK 0.65
65 WKVKRRSH 0.65
66 WKVKRRSR 0.66
67 WKVKPRSH 0.66
68 WKVKPRSR 0.66
69 WKQRHRSH 0.67
70 WKQRHRSR 0.67
71 YEQKRRSH 0.67
72 REQKHRSR 0.68
73 REQKHRSH 0.68
74 YEQKRRSR 0.68
75 YEQKPRSR 0.68
76 YEQKPRSH 0.68
77 WEVKHRSR 0.7
78 WEVKHRSH 0.7
79 REQRRRSK 0.72
80 YKQKPRSH 0.73
81 RKQKHRSH 0.73
82 RKQKHRSR 0.73
83 YKQKRRSR 0.73
84 YKQKRRSH 0.73
85 YKQKPRSR 0.73
86 REQRPRSK 0.73
87 WKVKHRSH 0.75
88 WEVRPRSK 0.75
89 WEVRRRSK 0.75
90 WKVKHRSR 0.76
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 WEQRRRSK

5.08

-6.73

-1.65
2 WEQKRRSH

5.02

-6.52

-1.5
3 WKVKRRSK

6.11

-7.24

-1.13
4 WEVKRRSK

6.07

-7.03

-0.96
5 WEQKHRSK

5.0

-5.88

-0.88
6 WKQKRRSK

5.45

-6.15

-0.7
7 REQKRRSK

6.22

-6.89

-0.67
8 WKQRRRSK

4.7

-5.37

-0.67
9 WEVKPRSK

6.04

-6.71

-0.67
10 WKQKPRSK

5.17

-5.82

-0.65
11 WEQKRRSR

4.47

-5.08

-0.61
12 WKQKRRSH

4.62

-5.2

-0.58
13 WEQKRRSK

5.85

-6.36

-0.51
14 WKQKPRSR

4.49

-4.97

-0.48
15 WKQKHRSH

4.59

-4.8

-0.21
16 WEQKPRSK

5.4

-5.58

-0.18
17 WEQRHRSK

4.78

-4.92

-0.14
18 WEQKPRSH

6.14

-6.24

-0.1
19 WKQKHRSR

4.77

-4.86

-0.09
20 WEQKHRSH

4.59

-4.66

-0.07
21 WEQKPRSR

5.52

-5.56

-0.04
22 WKQKPRSH

6.08

-6.12

-0.04
23 WKQKHRSK

6.24

-6.16

0.08
24 WEQKHRSR

5.55

-5.36

0.19
25 WEQRPRSK

5.86

-5.65

0.21
26 RKQKRRSK

6.28

-6.05

0.23
27 RKQKPRSK

5.65

-5.41

0.24
28 REQKPRSK

5.48

-5.22

0.26
29 WKQRPRSK

5.94

-5.41

0.53
30 WKQKRRSR

6.2

-4.94

1.26

 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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