Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-9.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 0.594 ΔGbinding 1.023
TOTAL
 1.617
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.531
Van der Waals -3.862 Backbone clash 2.875
Electrostatics 0.160 Helix dipole 0.000
Solvation Polar 4.523 Water bridges 0.000
Solvation Hyd -4.976 Disulfide 0.000
VdW clashes 1.952 Electrost. Kon 0.196
Entropy sc 0.820 Part.cov.bonds 0.000
Entropy mc

4.228

 ΔGstability

12.369
       

Predicted ligand sequences for model [MYO3_1YP5-9.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_1YP5-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRWRPPRK 0.0
2 RRPRPPRK 0.01
3 RRFRPPRK 0.05
4 RRYRPPRK 0.11
5 RRWRPDRK 0.2
6 RRPRPDRK 0.2
7 RRWRPMRK 0.21
8 RRPRPMRK 0.22
9 RRWRPFRK 0.24
10 RRFRPDRK 0.24
11 RRPRPFRK 0.25
12 RRFRPMRK 0.26
13 RRFRPFRK 0.29
14 RRYRPDRK 0.3
15 RRYRPMRK 0.32
16 RRYRPFRK 0.35
17 RRWIPPRK 0.36
18 RRPIPPRK 0.36
19 RRFIPPRK 0.41
20 KRWRPPRK 0.44
21 KRPRPPRK 0.45
22 FRWRPPRK 0.46
23 RRYIPPRK 0.47
24 FRPRPPRK 0.47
25 KRFRPPRK 0.49
26 FRFRPPRK 0.51
27 KRYRPPRK 0.55
28 RRWIPDRK 0.55
29 RRPIPDRK 0.56
30 RRWIPMRK 0.57
31 FRYRPPRK 0.57
32 RRPIPMRK 0.57
33 RRWIPFRK 0.59
34 RRPIPFRK 0.6
35 RRFIPDRK 0.6
36 RRFIPMRK 0.62
37 KRWRPDRK 0.64
38 KRPRPDRK 0.65
39 KRWRPMRK 0.65
40 RRFIPFRK 0.65
41 KRPRPMRK 0.66
42 FRWRPDRK 0.66
43 RRYIPDRK 0.66
44 FRWRPMRK 0.67
45 FRPRPDRK 0.67
46 RRYIPMRK 0.68
47 FRPRPMRK 0.68
48 KRWRPFRK 0.68
49 KRPRPFRK 0.69
50 KRFRPDRK 0.69
51 KRFRPMRK 0.7
52 RRYIPFRK 0.7
53 FRWRPFRK 0.7
54 FRFRPDRK 0.71
55 FRPRPFRK 0.71
56 FRFRPMRK 0.72
57 KRFRPFRK 0.73
58 FRFRPFRK 0.75
59 KRYRPDRK 0.75
60 KRYRPMRK 0.76
61 FRYRPDRK 0.77
62 FRYRPMRK 0.78
63 KRYRPFRK 0.79
64 KRWIPPRK 0.8
65 FRYRPFRK 0.81
66 KRPIPPRK 0.81
67 FRWIPPRK 0.82
68 FRPIPPRK 0.83
69 KRFIPPRK 0.85
70 FRFIPPRK 0.87
71 KRYIPPRK 0.91
72 FRYIPPRK 0.93
73 KRWIPDRK 1.0
74 KRPIPDRK 1.0
75 KRWIPMRK 1.01
76 FRWIPDRK 1.01
77 KRPIPMRK 1.02
78 FRPIPDRK 1.02
79 FRWIPMRK 1.03
80 FRPIPMRK 1.04
81 KRWIPFRK 1.04
82 KRPIPFRK 1.05
83 KRFIPDRK 1.05
84 FRPIPFRK 1.06
85 KRFIPMRK 1.06
86 FRWIPFRK 1.06
87 FRFIPDRK 1.06
88 FRFIPMRK 1.08
89 KRFIPFRK 1.09
90 KRYIPDRK 1.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRYRPPRK

1.06

-9.3

-8.24
2 RRYIPPRK

1.55

-9.5

-7.95
3 RRWIPDRK

1.46

-9.2

-7.74
4 RRWRPFRK

0.92

-8.6

-7.68
5 RRYRPDRK

1.92

-9.51

-7.59
6 RRFRPPRK

1.0

-7.9

-6.9
7 RRWIPPRK

1.42

-8.07

-6.65
8 RRWIPMRK

1.36

-7.95

-6.59
9 RRPIPDRK

1.46

-8.04

-6.58
10 RRPRPPRK

0.93

-7.5

-6.57
11 RRPRPDRK

1.1

-7.53

-6.43
12 FRFRPPRK

1.14

-7.55

-6.41
13 RRWRPPRK

1.06

-7.44

-6.38
14 RRFRPDRK

1.66

-7.99

-6.33
15 RRFIPPRK

1.57

-7.86

-6.29
16 RRPIPPRK

1.39

-7.64

-6.25
17 FRWRPPRK

1.04

-7.26

-6.22
18 RRWRPDRK

1.77

-7.91

-6.14
19 FRPRPPRK

0.96

-7.05

-6.09
20 RRYRPMRK

1.22

-7.26

-6.04
21 KRPRPPRK

1.0

-6.95

-5.95
22 RRYRPFRK

1.41

-7.31

-5.9
23 RRWRPMRK

1.01

-6.9

-5.89
24 KRFRPPRK

1.02

-6.87

-5.85
25 RRPRPMRK

1.03

-6.86

-5.83
26 RRFRPMRK

1.14

-6.91

-5.77
27 KRWRPPRK

0.87

-6.63

-5.76
28 KRYRPPRK

1.2

-6.79

-5.59
29 RRPRPFRK

1.14

-6.62

-5.48
30 RRFRPFRK

1.72

-7.03

-5.31

 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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