Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1VA7-27.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
poly-Ala
A
 G 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 0.481 ΔGbinding -2.728
TOTAL
 -2.247
Backbone Hb -2.550 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.233
Van der Waals -4.535 Backbone clash 0.044
Electrostatics -0.216 Helix dipole 0.000
Solvation Polar 5.635 Water bridges -0.013
Solvation Hyd -5.653 Disulfide 0.000
VdW clashes 2.557 Electrost. Kon -0.299
Entropy sc 1.158 Part.cov.bonds 0.000
Entropy mc

2.231

 ΔGstability

1.578
       

Predicted ligand sequences for model [MYO3_1VA7-27.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_1VA7-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RGRRWDPRR 0.0
2 RGRRWPPRR 0.01
3 RGTRWDPRR 0.04
4 RGTRWPPRR 0.05
5 RGRRWDPRP 0.06
6 RGRRWPPRP 0.07
7 RGREWDPRR 0.08
8 RGRRWDPRW 0.08
9 RGREWPPRR 0.09
10 RGRRWPPRW 0.09
11 RGTRWDPRP 0.1
12 RGTRWPPRP 0.11
13 RGTEWDPRR 0.11
14 RNRRWDPRR 0.11
15 RGTEWPPRR 0.12
16 RGTRWDPRW 0.12
17 RNRRWPPRR 0.12
18 RGTRWPPRW 0.13
19 RGREWDPRP 0.13
20 RGREWPPRP 0.14
21 RNTRWDPRR 0.14
22 RNTRWPPRR 0.15
23 RGREWDPRW 0.16
24 RNRRWDPRP 0.16
25 RGREWPPRW 0.17
26 RGTEWDPRP 0.17
27 RRRRWDPRR 0.17
28 RGWRWDPRR 0.17
29 RNRRWPPRP 0.17
30 RGTEWPPRP 0.18
31 RNREWDPRR 0.18
32 RRRRWPPRR 0.18
33 RGRRWMPRR 0.18
34 RGWRWPPRR 0.18
35 RNREWPPRR 0.19
36 RNRRWDPRW 0.19
37 RGTEWPPRW 0.2
38 RGTEWDPRW 0.2
39 RNTRWDPRP 0.2
40 RNRRWPPRW 0.2
41 RNTRWPPRP 0.21
42 RRTRWDPRR 0.21
43 RNTRWDPRW 0.22
44 RNTEWDPRR 0.22
45 RGTRWMPRR 0.22
46 RGWRWDPRP 0.22
47 RRTRWPPRR 0.22
48 RGWRWPPRP 0.23
49 RNTEWPPRR 0.23
50 RNTRWPPRW 0.23
51 RGRRPDPRR 0.23
52 RRRRWDPRP 0.23
53 RGRRPPPRR 0.24
54 RGWEWDPRR 0.24
55 RNREWDPRP 0.24
56 RRRRWPPRP 0.24
57 RGRRWMPRP 0.24
58 RGWRWDPRW 0.24
59 RRREWDPRR 0.25
60 RRRRWDPRW 0.25
61 RGWEWPPRR 0.25
62 RNREWPPRP 0.25
63 RGREWMPRR 0.26
64 RRRRWPPRW 0.26
65 RNREWDPRW 0.26
66 RGRRWMPRW 0.26
67 RRREWPPRR 0.26
68 RGWRWPPRW 0.26
69 RGTRPDPRR 0.27
70 RNWRWDPRR 0.27
71 RNREWPPRW 0.27
72 RRTRWDPRP 0.27
73 RGTRPPPRR 0.28
74 RRTRWPPRP 0.28
75 RNTEWDPRP 0.28
76 RGTRWMPRP 0.28
77 RNWRWPPRR 0.28
78 RRTEWDPRR 0.29
79 RNTEWPPRP 0.29
80 RNRRWMPRR 0.29
81 RGRRPDPRP 0.29
82 RRTRWDPRW 0.29
83 RGRRPPPRP 0.3
84 RGWEWDPRP 0.3
85 RGTEWMPRR 0.3
86 RNTEWDPRW 0.3
87 RRTRWPPRW 0.3
88 RGTRWMPRW 0.3
89 RGREPDPRR 0.3
90 RRTEWPPRR 0.3
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RGRRWPPRW

3.16

-6.69

-3.53
2 RGTRWPPRR

2.85

-6.28

-3.43
3 RGRRWPPRP

3.27

-6.61

-3.34
4 RNTRWPPRR

3.77

-7.01

-3.24
5 RGRRWPPRR

2.99

-6.08

-3.09
6 RGTRWPPRW

3.04

-5.99

-2.95
7 RGRRWDPRW

3.26

-6.21

-2.95
8 RGRRWDPRR

4.49

-7.4

-2.91
9 RGTRWDPRP

2.84

-5.68

-2.84
10 RGTRWDPRW

2.83

-5.56

-2.73
11 RGTRWPPRP

3.07

-5.74

-2.67
12 RGRRWDPRP

3.08

-5.59

-2.51
13 RNRRWPPRP

3.68

-6.15

-2.47
14 RGWRWDPRR

4.06

-6.42

-2.36
15 RGREWPPRP

4.18

-6.51

-2.33
16 RGTEWPPRP

5.21

-7.48

-2.27
17 RRRRWDPRR

3.81

-6.03

-2.22
18 RNRRWPPRR

3.85

-6.02

-2.17
19 RGTRWDPRR

4.05

-6.13

-2.08
20 RGREWDPRP

3.6

-5.53

-1.93
21 RNRRWDPRR

3.64

-5.51

-1.87
22 RGTEWDPRP

3.84

-5.6

-1.76
23 RGTEWPPRR

5.17

-6.91

-1.74
24 RGTEWDPRR

3.41

-5.1

-1.69
25 RGREWPPRR

3.92

-5.4

-1.48
26 RGREWDPRR

4.81

-6.28

-1.47
27 RNRRWDPRP

4.05

-5.28

-1.23
28 RGREWPPRW

3.61

-4.82

-1.21
29 RNTRWDPRR

4.27

-5.31

-1.04
30 RGREWDPRW

3.62

-4.59

-0.97

 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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