Predicted ligand sequences (modelled structure)


ADAN-name: MYO3_1YP5-2.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 0.449 ΔGbinding -2.402
TOTAL
 -1.953
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.682
Van der Waals -4.791 Backbone clash 0.080
Electrostatics -0.390 Helix dipole 0.000
Solvation Polar 5.331 Water bridges -0.000
Solvation Hyd -6.792 Disulfide 0.000
VdW clashes 3.746 Electrost. Kon -0.462
Entropy sc 0.881 Part.cov.bonds 0.000
Entropy mc

1.942

 ΔGstability

6.284
       

Predicted ligand sequences for model [MYO3_1YP5-2.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_1YP5-2.PDB  

(data)
# Predicted Sequences Value Calculate
1 SPAYMFRPKH 0.0
2 TPAYMFRPKH 0.0
3 TPKYMFRPKH 0.0
4 SPKYMFRPKH 0.0
5 SPRYMFRPKH 0.04
6 TPRYMFRPKH 0.04
7 SPAYMFRPMH 0.07
8 TPAYMFRPMH 0.07
9 SPKYMFRPMH 0.07
10 TPKYMFRPMH 0.07
11 SPKYMFRRKH 0.11
12 TPAYMFRRKH 0.11
13 SPRYMFRPMH 0.11
14 SPAYMFRRKH 0.11
15 TPKYMFRRKH 0.11
16 TPRYMFRPMH 0.11
17 TPKYPFRPKH 0.13
18 TPAYPFRPKH 0.13
19 SPAYPFRPKH 0.13
20 SPKYPFRPKH 0.13
21 SPKYMFRKKH 0.14
22 TPKYMFRKKH 0.14
23 TPAYMFRKKH 0.14
24 SPAYMFRKKH 0.14
25 TPRYMFRRKH 0.15
26 TPAYRFRPKH 0.15
27 SPRYMFRRKH 0.15
28 SPKYRFRPKH 0.15
29 TPKYRFRPKH 0.15
30 SPAYRFRPKH 0.15
31 SPRYPFRPKH 0.17
32 TPRYPFRPKH 0.17
33 SPKYMFRRMH 0.18
34 TPRYMFRKKH 0.18
35 SPRYMFRKKH 0.18
36 TPAYMFRRMH 0.18
37 SPAYMFRRMH 0.18
38 TPRYRFRPKH 0.18
39 TPKYMFRRMH 0.18
40 SPRYRFRPKH 0.18
41 SPKRMFRPKH 0.2
42 TPARMFRPKH 0.2
43 SPARMFRPKH 0.2
44 TPKRMFRPKH 0.2
45 TPKYPFRPMH 0.21
46 SPKYPFRPMH 0.21
47 TPAYPFRPMH 0.21
48 SPAYPFRPMH 0.21
49 TPKYMFRKMH 0.22
50 TPRYMFRRMH 0.22
51 SPRYMFRRMH 0.22
52 TPAYRFRPMH 0.22
53 TPKYRFRPMH 0.22
54 SPKYRFRPMH 0.22
55 TPAYMFRKMH 0.22
56 SPAYMFRKMH 0.22
57 SPAYRFRPMH 0.22
58 SPKYMFRKMH 0.22
59 SPRYPFRPMH 0.24
60 SPRRMFRPKH 0.24
61 TPKYPFRRKH 0.24
62 TPRYPFRPMH 0.24
63 TPRRMFRPKH 0.24
64 SPKYPFRRKH 0.24
65 SPAYPFRRKH 0.24
66 TPAYPFRRKH 0.24
67 SPRYMFRKMH 0.25
68 TPRYMFRKMH 0.25
69 TPKYRFRRKH 0.26
70 SPKYRFRRKH 0.26
71 TPRYRFRPMH 0.26
72 TPAYRFRRKH 0.26
73 SPRYRFRPMH 0.26
74 SPAYRFRRKH 0.26
75 SPKRMFRPMH 0.27
76 TPAYPFRKKH 0.27
77 SPAYPFRKKH 0.27
78 SPARMFRPMH 0.27
79 TPARMFRPMH 0.27
80 TPKYPFRKKH 0.27
81 SPKYPFRKKH 0.27
82 TPKRMFRPMH 0.27
83 SPRYPFRRKH 0.28
84 TPRYPFRRKH 0.28
85 SPAYRFRKKH 0.29
86 SPKYRFRKKH 0.29
87 TPAYRFRKKH 0.29
88 SPRYRFRRKH 0.29
89 TPRYRFRRKH 0.29
90 TPKYRFRKKH 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 SPAYRFRPKH

2.72

-12.42

-9.7
2 SPKYMFRPMH

2.5

-11.88

-9.38
3 SPRYMFRRKH

2.94

-11.82

-8.88
4 SPKYMFRKKH

2.4

-10.68

-8.28
5 SPKYMFRPKH

2.35

-10.49

-8.14
6 SPAYMFRRKH

2.3

-10.31

-8.01
7 SPRYMFRPKH

2.37

-10.08

-7.71
8 SPKYRFRPKH

2.6

-10.24

-7.64
9 SPAYPFRPKH

2.13

-9.48

-7.35
10 SPAYMFRPMH

2.37

-9.49

-7.12
11 SPKYPFRPKH

2.21

-8.24

-6.03
12 SPAYMFRPKH

2.22

-8.1

-5.88
13 TPAYMFRKKH

3.06

-8.89

-5.83
14 SPRYMFRPMH

2.21

-7.84

-5.63
15 TPKYMFRPMH

3.4

-8.8

-5.4
16 SPAYMFRKKH

2.9

-8.16

-5.26
17 SPKYMFRRKH

2.96

-7.94

-4.98
18 TPAYMFRRKH

2.79

-7.15

-4.36
19 TPKYPFRPKH

2.87

-6.1

-3.23
20 TPRYMFRPKH

2.67

-5.88

-3.21
21 TPAYMFRPMH

2.45

-5.48

-3.03
22 TPAYMFRPKH

2.89

-5.87

-2.98
23 TPAYRFRPKH

3.0

-5.88

-2.88
24 TPAYPFRPKH

2.82

-5.53

-2.71
25 TPKYMFRRKH

4.73

-7.25

-2.52
26 TPKYRFRPKH

3.41

-5.63

-2.22
27 TPRYMFRRKH

3.15

-5.34

-2.19
28 TPKYMFRPKH

3.22

-5.0

-1.78
29 TPKYMFRKKH

3.83

-5.42

-1.59
30 TPRYMFRPMH

4.95

-5.16

-0.21

 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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