Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1FYN-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 6.456 ΔGbinding -2.568
TOTAL
 3.888
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.502
Van der Waals -3.105 Backbone clash 0.036
Electrostatics 0.348 Helix dipole 0.000
Solvation Polar 2.412 Water bridges 0.000
Solvation Hyd -4.922 Disulfide 0.000
VdW clashes 0.097 Electrost. Kon 0.444
Entropy sc 0.181 Part.cov.bonds 0.000
Entropy mc

1.475

 ΔGstability

75.706
       

Predicted ligand sequences for model [BBC1_1FYN-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).
 
  BBC1_1FYN-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPRRPTWK 0.0
2 RPRRPTWK 0.03
3 MPPRPTWK 0.03
4 MPKRPTWK 0.04
5 RPPRPTWK 0.06
6 RPKRPTWK 0.07
7 MPRRPSWK 0.08
8 MPRRPTYK 0.08
9 MPPRPSWK 0.1
10 MPRRRTWK 0.1
11 MPPRPTYK 0.11
12 RPRRPTYK 0.11
13 RPRRPSWK 0.11
14 MPKRPSWK 0.12
15 MPPRRTWK 0.12
16 MPRRWTWK 0.12
17 RPRRRTWK 0.12
18 MPKRPTYK 0.12
19 RPPRPSWK 0.13
20 MPRRPTWW 0.13
21 MPKRRTWK 0.14
22 RPPRPTYK 0.14
23 RPKRPSWK 0.15
24 RPKRPTYK 0.15
25 MPPRWTWK 0.15
26 RPPRRTWK 0.15
27 RPRRWTWK 0.15
28 MPRRPSYK 0.16
29 RPRRPTWW 0.16
30 MPPRPTWW 0.16
31 MPKRWTWK 0.16
32 MPRRRSWK 0.17
33 RPKRRTWK 0.17
34 MPKRPTWW 0.17
35 MPRRRTYK 0.18
36 RPPRWTWK 0.18
37 MPPRPSYK 0.18
38 RPRRPSYK 0.19
39 RPPRPTWW 0.19
40 RPKRWTWK 0.19
41 MPPRRSWK 0.2
42 MPRRWTYK 0.2
43 MPRRPRWK 0.2
44 MPRRWSWK 0.2
45 RPRRRSWK 0.2
46 MPKRPSYK 0.2
47 MPPRRTYK 0.2
48 RPKRPTWW 0.2
49 MPKRRSWK 0.21
50 RPRRRTYK 0.21
51 MPRRPSWW 0.21
52 RPPRPSYK 0.21
53 MPRRPTYW 0.21
54 RPRRPRWK 0.22
55 MPKRRTYK 0.22
56 MPPRWSWK 0.22
57 MPPRPRWK 0.22
58 RPKRPSYK 0.23
59 MPRRRTWW 0.23
60 RPPRRSWK 0.23
61 RPRRWTYK 0.23
62 RPRRWSWK 0.23
63 MPPRWTYK 0.23
64 RPPRRTYK 0.23
65 MPKRWTYK 0.24
66 MPPRPTYW 0.24
67 MPPRPSWW 0.24
68 MPKRPRWK 0.24
69 MPKRWSWK 0.24
70 RPRRPTYW 0.24
71 RPRRPSWW 0.24
72 RPKRRSWK 0.24
73 RPKRRTYK 0.25
74 MPKRPSWW 0.25
75 MPRRRSYK 0.25
76 RPPRPRWK 0.25
77 MPRRWTWW 0.25
78 RPPRWSWK 0.25
79 RPPRWTYK 0.26
80 MPPRRTWW 0.26
81 RPRRRTWW 0.26
82 MPKRPTYW 0.26
83 RPPRPSWW 0.27
84 RPKRWTYK 0.27
85 RPKRWSWK 0.27
86 MPKRRTWW 0.27
87 RPPRPTYW 0.27
88 RPKRPRWK 0.27
89 RPKRPSWW 0.28
90 MPRRPRYK 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPRRPTYK

5.99

-11.29

-5.3
2 MPRRPSYK

6.29

-11.07

-4.78
3 MPPRPTYK

6.24

-10.79

-4.55
4 RPRRPTYK

6.55

-11.01

-4.46
5 RPKRPTYK

6.44

-10.8

-4.36
6 RPPRPTYK

6.62

-10.95

-4.33
7 MPRRPSWK

6.35

-10.62

-4.27
8 MPPRPTWW

6.49

-10.31

-3.82
9 MPKRPTYK

6.94

-10.52

-3.58
10 RPRRPSWK

6.78

-10.35

-3.57
11 MPKRPTWK

6.98

-10.49

-3.51
12 MPPRPTWK

7.21

-10.63

-3.42
13 MPPRWTWK

5.51

-8.9

-3.39
14 RPPRPSWK

6.48

-9.82

-3.34
15 MPRRPTWK

6.6

-9.92

-3.32
16 MPKRPSWK

6.4

-9.48

-3.08
17 RPRRPTWK

6.59

-9.51

-2.92
18 RPPRPTWK

6.61

-9.42

-2.81
19 MPPRRTWK

6.49

-9.03

-2.54
20 MPRRPTWW

7.17

-9.49

-2.32
21 MPRRRTWK

7.34

-9.47

-2.13
22 MPRRWTWK

7.32

-9.38

-2.06
23 MPPRPSWK

7.73

-9.78

-2.05
24 RPKRPTWK

7.68

-9.55

-1.87
25 RPRRRTWK

6.99

-8.6

-1.61
26 RPRRPTWW

7.76

-9.29

-1.53
27 RPKRPSWK

7.61

-8.99

-1.38
28 RPPRRTWK

7.79

-9.11

-1.32
29 RPRRWTWK

7.92

-8.65

-0.73
30 MPKRRTWK

8.91

-8.87

0.04

 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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