Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1SSH-7.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
G
 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 0.402 ΔGbinding -3.484
TOTAL
 -3.082
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.264
Van der Waals -2.816 Backbone clash 0.013
Electrostatics 0.235 Helix dipole 0.000
Solvation Polar 3.133 Water bridges -0.020
Solvation Hyd -3.717 Disulfide 0.000
VdW clashes 0.000 Electrost. Kon 0.318
Entropy sc 0.660 Part.cov.bonds 0.000
Entropy mc

1.009

 ΔGstability

11.124
       

Predicted ligand sequences for model [LSB3_1SSH-7.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).
 
  LSB3_1SSH-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 MMRRTPRR 0.0
2 YMRRTPRR 0.0
3 MMRRTPRK 0.05
4 YMRRTPRK 0.06
5 MRRRTPRR 0.14
6 MMPRTPRR 0.14
7 YRRRTPRR 0.14
8 YMPRTPRR 0.15
9 YMRRTKRR 0.18
10 MMRRTKRR 0.18
11 MRRRTPRK 0.19
12 YRRRTPRK 0.19
13 MMPRTPRK 0.2
14 YMPRTPRK 0.2
15 MMRRTPRH 0.21
16 YMRRTPRH 0.22
17 YMRRTKRK 0.23
18 MMRRTKRK 0.23
19 MMKRTPRR 0.26
20 YMKRTPRR 0.27
21 MRPRTPRR 0.28
22 MMRRPPRR 0.29
23 YMRRPPRR 0.29
24 YRPRTPRR 0.29
25 WMRRTPRR 0.31
26 YRRRTKRR 0.32
27 MMPRTKRR 0.32
28 MRRRTKRR 0.32
29 YMKRTPRK 0.32
30 MMKRTPRK 0.32
31 MRPRTPRK 0.33
32 YMPRTKRR 0.33
33 MMRRPPRK 0.34
34 YRPRTPRK 0.34
35 MRRRTPRH 0.35
36 MMRRTVRR 0.35
37 YMRRPPRK 0.35
38 YRRRTPRH 0.35
39 WMRRTPRK 0.36
40 YMRRTVRR 0.36
41 MMPRTPRH 0.36
42 YMPRTPRH 0.36
43 YRRRTKRK 0.37
44 MRRRTKRK 0.37
45 MMPRTKRK 0.38
46 YMPRTKRK 0.38
47 MMRRTKRH 0.39
48 YMRRTKRH 0.4
49 YRKRTPRR 0.4
50 MRKRTPRR 0.4
51 YMRRTVRK 0.41
52 YMRRIPRR 0.41
53 MMRRIPRR 0.41
54 MMRRTVRK 0.41
55 MMPRPPRR 0.43
56 YRRRPPRR 0.43
57 MRRRPPRR 0.43
58 WRRRTPRR 0.44
59 YMPRPPRR 0.44
60 MMKRTKRR 0.44
61 MRKRTPRK 0.45
62 WMPRTPRR 0.45
63 YMKRTKRR 0.45
64 MMRRIPRK 0.46
65 YMRRIPRK 0.46
66 YRKRTPRK 0.46
67 MMRWTPRR 0.46
68 YMRWTPRR 0.46
69 MRPRTKRR 0.46
70 YRPRTKRR 0.47
71 MMKRTPRH 0.47
72 YMRRPKRR 0.47
73 MMRRPKRR 0.47
74 YRRRPPRK 0.48
75 MRRRPPRK 0.48
76 YMKRTPRH 0.48
77 MMPRPPRK 0.49
78 MRPRTPRH 0.49
79 YRRRTVRR 0.49
80 YMPRPPRK 0.49
81 MMKRTKRK 0.49
82 WMRRTKRR 0.49
83 MRRRTVRR 0.49
84 WRRRTPRK 0.5
85 YMPRTVRR 0.5
86 WMPRTPRK 0.5
87 YRPRTPRH 0.5
88 MMRRPPRH 0.5
89 MMPRTVRR 0.5
90 YMKRTKRK 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MMRRPPRR

1.52

-14.6

-13.08
2 YMRRTPRR

1.8

-14.12

-12.32
3 MMKRTPRR

1.85

-13.28

-11.43
4 YMKRTPRK

1.51

-12.9

-11.39
5 YMPRTPRR

1.8

-13.15

-11.35
6 YRRRTPRR

1.7

-12.76

-11.06
7 YMPRTPRK

1.82

-12.78

-10.96
8 MMKRTPRK

1.84

-12.72

-10.88
9 YMRRTPRH

1.58

-12.36

-10.78
10 MRRRTPRR

1.79

-12.47

-10.68
11 MMRRTPRR

2.32

-12.97

-10.65
12 YRPRTPRR

1.77

-12.41

-10.64
13 MRPRTPRR

1.89

-12.42

-10.53
14 WMRRTPRR

1.92

-12.4

-10.48
15 MMRRTKRR

1.95

-12.4

-10.45
16 MMRRTPRK

1.48

-11.84

-10.36
17 MRRRTPRK

1.81

-12.13

-10.32
18 YMKRTPRR

1.99

-12.23

-10.24
19 MMRRTPRH

1.85

-12.05

-10.2
20 MMPRTPRK

1.8

-11.97

-10.17
21 MMPRTKRR

1.85

-12.0

-10.15
22 MMRRTKRK

1.5

-11.62

-10.12
23 YRRRTPRK

1.92

-11.92

-10.0
24 YMRRTKRR

1.68

-11.59

-9.91
25 YMRRTPRK

1.48

-11.06

-9.58
26 YMRRPPRR

1.14

-10.52

-9.38
27 MRRRTKRR

1.82

-11.12

-9.3
28 YRRRTKRR

2.05

-11.26

-9.21
29 MMPRTPRR

1.92

-10.07

-8.15
30 YMRRTKRK

1.4

-8.29

-6.89

 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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