Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1ZUY-13.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 0.747 ΔGbinding -2.014
TOTAL
 -1.267
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.595
Van der Waals -3.469 Backbone clash 0.081
Electrostatics 0.119 Helix dipole 0.000
Solvation Polar 3.849 Water bridges -0.015
Solvation Hyd -4.479 Disulfide 0.000
VdW clashes 0.430 Electrost. Kon 0.149
Entropy sc 0.738 Part.cov.bonds 0.000
Entropy mc

2.619

 ΔGstability

21.243
       

Predicted ligand sequences for model [MYO3_1ZUY-13.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).
 
  MYO3_1ZUY-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKPLFWRH 0.0
2 RKPMFWRH 0.07
3 RKPLPWRH 0.11
4 RKRLFWRH 0.11
5 RKPRFWRH 0.13
6 RKKLFWRH 0.15
7 RKRMFWRH 0.18
8 RKPMPWRH 0.18
9 RLPLFWRH 0.21
10 RKPLFPRH 0.21
11 RKRLPWRH 0.21
12 RKRRFWRH 0.23
13 RKKMFWRH 0.23
14 RKPRPWRH 0.23
15 RKKLPWRH 0.26
16 RKKRFWRH 0.28
17 RLPMFWRH 0.28
18 RKRMPWRH 0.29
19 RKPMFPRH 0.29
20 RKPLPPRH 0.32
21 RLPLPWRH 0.32
22 RKRLFPRH 0.32
23 RLRLFWRH 0.32
24 RLPRFWRH 0.33
25 RKKMPWRH 0.34
26 RKRRPWRH 0.34
27 RKPRFPRH 0.34
28 RLKLFWRH 0.36
29 RKPLFWRR 0.36
30 RDPLFWRH 0.37
31 RKKLFPRH 0.37
32 RKKRPWRH 0.39
33 RKPLHWRH 0.39
34 RKRMFPRH 0.39
35 RLRMFWRH 0.39
36 RLPMPWRH 0.39
37 RKPMPPRH 0.39
38 RLPLFPRH 0.42
39 RLRLPWRH 0.42
40 RKPMFWRR 0.43
41 RKRLPPRH 0.43
42 RLKMFWRH 0.44
43 RLRRFWRH 0.44
44 RKKMFPRH 0.44
45 RKPRPPRH 0.44
46 RLPRPWRH 0.44
47 RKRRFPRH 0.44
48 RDPMFWRH 0.45
49 RKPLFWRT 0.46
50 RKPLPWRR 0.47
51 RKPMHWRH 0.47
52 RKRLFWRR 0.47
53 RKKLPPRH 0.47
54 RLKLPWRH 0.47
55 RDPLPWRH 0.48
56 RKPRFWRR 0.48
57 RDRLFWRH 0.48
58 RLKRFWRH 0.49
59 RKKRFPRH 0.49
60 RKRMPPRH 0.5
61 RKRLHWRH 0.5
62 RLPMFPRH 0.5
63 RLRMPWRH 0.5
64 RDPRFWRH 0.5
65 RKKLFWRR 0.51
66 RKPRHWRH 0.52
67 RDKLFWRH 0.53
68 RKPMFWRT 0.53
69 RLPLPPRH 0.53
70 RLRLFPRH 0.53
71 RKRMFWRR 0.54
72 RKPMPWRR 0.54
73 RKKMPPRH 0.55
74 RLRRPWRH 0.55
75 RLKMPWRH 0.55
76 RKKLHWRH 0.55
77 RDRMFWRH 0.55
78 RLPRFPRH 0.55
79 RDPMPWRH 0.55
80 RKRRPPRH 0.55
81 RLKLFPRH 0.57
82 RLPLFWRR 0.57
83 RKPLPWRT 0.57
84 RKPLFPRR 0.57
85 RKRMHWRH 0.57
86 RKRLFWRT 0.57
87 RKRLPWRR 0.57
88 RDPLFPRH 0.58
89 RKPRFWRT 0.58
90 RKRRFWRR 0.59
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKRMPWRH

2.16

-12.25

-10.09
2 RKPMPWRH

2.17

-12.14

-9.97
3 RKPLPPRH

2.45

-12.31

-9.86
4 RKPMFPRH

2.54

-12.19

-9.65
5 RKKMPWRH

2.12

-11.72

-9.6
6 RKRRPWRH

2.01

-11.6

-9.59
7 RLPLFWRH

1.29

-10.86

-9.57
8 RKRLFPRH

2.14

-11.71

-9.57
9 RKPLFPRH

2.4

-11.95

-9.55
10 RLPLPWRH

2.33

-11.67

-9.34
11 RKRLPWRH

2.16

-11.49

-9.33
12 RLPMFWRH

2.2

-11.53

-9.33
13 RKPMFWRH

2.26

-11.58

-9.32
14 RKPLPWRH

2.24

-11.51

-9.27
15 RKKLPWRH

2.21

-11.34

-9.13
16 RKRLFWRH

2.34

-11.34

-9.0
17 RLRLFWRH

2.3

-11.24

-8.94
18 RKPRPWRH

2.18

-10.95

-8.77
19 RKRMFWRH

2.7

-11.38

-8.68
20 RKKLFWRH

2.9

-11.58

-8.68
21 RKKRFWRH

2.92

-11.44

-8.52
22 RKPLFWRH

2.09

-10.61

-8.52
23 RKPRFPRH

2.78

-11.19

-8.41
24 RLKLFWRH

2.38

-10.75

-8.37
25 RKKMFWRH

2.04

-10.28

-8.24
26 RKPRFWRH

2.52

-10.67

-8.15
27 RLPRFWRH

2.44

-10.57

-8.13
28 RKRRFWRH

2.39

-10.41

-8.02
29 RKPLFWRR

2.42

-10.15

-7.73
30 RDPLFWRH

2.15

-8.81

-6.66

 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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