Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1R6S-29.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 10
poly-Ala
A
 A 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 1.521 ΔGbinding -0.993
TOTAL
 0.528
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.530
Van der Waals -3.632 Backbone clash 0.006
Electrostatics 0.072 Helix dipole 0.000
Solvation Polar 3.958 Water bridges -0.024
Solvation Hyd -4.701 Disulfide 0.000
VdW clashes 0.087 Electrost. Kon 0.091
Entropy sc 0.327 Part.cov.bonds 0.000
Entropy mc

2.299

 ΔGstability

11.582
       

Predicted ligand sequences for model [MYO3_1R6S-29.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_1R6S-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 KNRPRPRRRH 0.0
2 RNRPRPRRRH 0.0
3 HNRPRPRRRH 0.01
4 KNRPRPRRRR 0.03
5 RNRPRPRRRR 0.03
6 HNRPRPRRRR 0.04
7 KNRPRPPRRH 0.05
8 RNRPRPPRRH 0.05
9 HNRPRPPRRH 0.07
10 KNRPRPPRRR 0.08
11 RNRPRPPRRR 0.08
12 HNRPRPPRRR 0.09
13 RNRMRPRRRH 0.12
14 KNRPWPRRRH 0.12
15 RNRPWPRRRH 0.12
16 RNFPRPRRRH 0.12
17 HNRPWPRRRH 0.13
18 KNRMRPRRRH 0.13
19 KNFPRPRRRH 0.13
20 HNRMRPRRRH 0.14
21 HNFPRPRRRH 0.14
22 RNRMRPRRRR 0.15
23 KNRMRPRRRR 0.15
24 KNRPRIRRRH 0.15
25 KNRPWPRRRR 0.15
26 KNFPRPRRRR 0.15
27 RNRPWPRRRR 0.15
28 RNRPRIRRRH 0.15
29 RNFPRPRRRR 0.15
30 HNRMRPRRRR 0.16
31 HNRPRIRRRH 0.16
32 HNFPRPRRRR 0.16
33 HNRPWPRRRR 0.16
34 KNLPRPRRRH 0.17
35 KNRPRIRRRR 0.17
36 KNRPWPPRRH 0.17
37 RNRWRPRRRH 0.17
38 RNLPRPRRRH 0.17
39 RNRPWPPRRH 0.17
40 RNRPRIRRRR 0.17
41 KNRWRPRRRH 0.18
42 KNFPRPPRRH 0.18
43 KNRMRPPRRH 0.18
44 RNRMRPPRRH 0.18
45 RNFPRPPRRH 0.18
46 HNFPRPPRRH 0.19
47 HNRPRIRRRR 0.19
48 HNLPRPRRRH 0.19
49 HNRPWPPRRH 0.19
50 HNRMRPPRRH 0.19
51 HNRWRPRRRH 0.19
52 RNLPRPRRRR 0.2
53 KNLPRPRRRR 0.2
54 KNFPRPPRRR 0.2
55 KNRWRPRRRR 0.2
56 KNRMRPPRRR 0.2
57 KNRPRPRRMH 0.2
58 KNRPWPPRRR 0.2
59 RNRWRPRRRR 0.2
60 RNRMRPPRRR 0.2
61 RNFPRPPRRR 0.2
62 KNRPRIPRRH 0.2
63 RNRPWPPRRR 0.2
64 RNRPRPRRMH 0.2
65 RNRPRIPRRH 0.2
66 RRRPRPRRRH 0.21
67 HNRPRIPRRH 0.21
68 RNRPRPERRH 0.21
69 HNLPRPRRRR 0.21
70 KNRPRPERRH 0.21
71 KRRPRPRRRH 0.21
72 RNRPRMRRRH 0.21
73 HNRPWPPRRR 0.21
74 HNRWRPRRRR 0.21
75 KNRPRMRRRH 0.21
76 HNFPRPPRRR 0.22
77 HNRPRPRRMH 0.22
78 HNRPRPERRH 0.22
79 HNRPRMRRRH 0.22
80 HRRPRPRRRH 0.22
81 HNRMRPPRRR 0.22
82 RNRPRIPRRR 0.22
83 RNRWRPPRRH 0.23
84 RNRPRPERRR 0.23
85 KNRPRPRRMR 0.23
86 KNLPRPPRRH 0.23
87 KNRPRPERRR 0.23
88 KNRPRIPRRR 0.23
89 RNLPRPPRRH 0.23
90 RNRPRPRRMR 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KNRMRPRRRH

3.5

-7.85

-4.35
2 KNRPWPRRRH

2.77

-7.08

-4.31
3 KNRPRPPRRH

2.74

-6.96

-4.22
4 HNRPRPPRRH

3.06

-6.97

-3.91
5 HNRPRPRRRR

2.64

-6.51

-3.87
6 RNRMRPRRRR

2.87

-6.36

-3.49
7 HNRPRPRRRH

2.79

-5.81

-3.02
8 HNRPWPRRRH

3.32

-6.18

-2.86
9 RNFPRPRRRR

2.03

-4.87

-2.84
10 KNRPRPRRRR

3.27

-6.09

-2.82
11 HNRMRPRRRR

3.1

-5.88

-2.78
12 KNRPRPRRRH

2.68

-5.21

-2.53
13 RNRMRPRRRH

3.27

-5.73

-2.46
14 HNFPRPRRRH

3.12

-5.58

-2.46
15 KNFPRPRRRR

2.94

-5.33

-2.39
16 RNRPWPRRRH

3.29

-5.68

-2.39
17 KNRPRPPRRR

2.63

-5.02

-2.39
18 KNRMRPRRRR

3.42

-5.8

-2.38
19 HNRPRPPRRR

3.35

-5.72

-2.37
20 RNRPRPRRRH

3.46

-5.78

-2.32
21 RNRPRPRRRR

2.15

-4.45

-2.3
22 RNRPRPPRRH

3.36

-5.64

-2.28
23 RNRPRPPRRR

2.8

-4.95

-2.15
24 HNRMRPRRRH

3.07

-5.22

-2.15
25 RNRPRIRRRH

3.98

-6.02

-2.04
26 KNRPRIRRRH

2.86

-4.84

-1.98
27 KNFPRPRRRH

3.1

-4.69

-1.59
28 RNFPRPRRRH

2.8

-4.2

-1.4
29 RNRPWPRRRR

3.32

-3.92

-0.6
30 KNRPWPRRRR

3.29

-3.22

0.07

 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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