Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-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 7.381 ΔGbinding -3.493
TOTAL
 3.888
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.387
Van der Waals -3.588 Backbone clash 0.006
Electrostatics -0.070 Helix dipole 0.000
Solvation Polar 3.735 Water bridges -0.072
Solvation Hyd -5.055 Disulfide 0.000
VdW clashes 0.273 Electrost. Kon -0.141
Entropy sc 0.681 Part.cov.bonds 0.000
Entropy mc

2.908

 ΔGstability

46.676
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-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).
 
  BEM1-D1_JO8-LCK-9.PDB  

(data)
# Predicted Sequences Value Calculate
1 FRFGPPRW 0.0
2 FRFGPFRW 0.12
3 FRFGPLRW 0.13
4 FRYGPPRW 0.15
5 FRFGPMRW 0.16
6 KRFGPPRW 0.16
7 FRPGPPRW 0.21
8 FRFGMPRW 0.26
9 FRWGPPRW 0.26
10 FRYGPFRW 0.27
11 QRFGPPRW 0.28
12 KRFGPFRW 0.28
13 FRYGPLRW 0.29
14 KRFGPLRW 0.3
15 FRYGPMRW 0.31
16 KRFGPMRW 0.32
17 KRYGPPRW 0.32
18 FRPGPFRW 0.33
19 FRPGPLRW 0.34
20 KRPGPPRW 0.37
21 FRPGPMRW 0.37
22 FRFGMFRW 0.38
23 FRWGPFRW 0.38
24 FRWGPLRW 0.39
25 FRFGMLRW 0.39
26 QRFGPFRW 0.4
27 FRFGVPRW 0.41
28 FRYGMPRW 0.41
29 QRFGPLRW 0.41
30 KRFGMPRW 0.42
31 FRFGMMRW 0.42
32 KRWGPPRW 0.42
33 FRWGPMRW 0.42
34 QRYGPPRW 0.43
35 KRYGPFRW 0.44
36 QRFGPMRW 0.44
37 KRYGPLRW 0.45
38 FRPGMPRW 0.47
39 KRYGPMRW 0.48
40 FRFGFPRW 0.48
41 KRPGPFRW 0.49
42 QRPGPPRW 0.49
43 KRPGPLRW 0.5
44 FRWGMPRW 0.52
45 FRFGVFRW 0.53
46 KRPGPMRW 0.53
47 QRFGMPRW 0.54
48 FRYGMFRW 0.54
49 FRFGVLRW 0.54
50 QRWGPPRW 0.54
51 KRWGPFRW 0.54
52 KRFGMFRW 0.55
53 FRYGMLRW 0.55
54 QRYGPFRW 0.55
55 KRWGPLRW 0.55
56 QRYGPLRW 0.56
57 KRFGMLRW 0.56
58 FRYGVPRW 0.56
59 FRFGVMRW 0.57
60 FRYGMMRW 0.57
61 KRFGVPRW 0.57
62 KRYGMPRW 0.58
63 KRFGMMRW 0.58
64 KRWGPMRW 0.58
65 QRYGPMRW 0.59
66 FRPGMFRW 0.59
67 FRFGFFRW 0.6
68 FRPGMLRW 0.6
69 FRFGFLRW 0.61
70 QRPGPFRW 0.61
71 FRPGVPRW 0.62
72 QRPGPLRW 0.62
73 FRYGFPRW 0.63
74 FRPGMMRW 0.63
75 KRPGMPRW 0.63
76 FRWGMFRW 0.64
77 FRFGFMRW 0.64
78 KRFGFPRW 0.64
79 FRWGMLRW 0.65
80 QRPGPMRW 0.65
81 QRFGMFRW 0.66
82 QRWGPFRW 0.66
83 QRFGMLRW 0.67
84 QRWGPLRW 0.67
85 FRWGVPRW 0.67
86 FRWGMMRW 0.68
87 FRYGVFRW 0.68
88 FRPGFPRW 0.68
89 KRWGMPRW 0.68
90 QRFGVPRW 0.69
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 FRWGPFRW

4.79

-8.55

-3.76
2 FRYGPPRW

5.75

-9.37

-3.62
3 FRFGVPRW

6.67

-9.44

-2.77
4 FRPGPPRW

7.53

-9.84

-2.31
5 FRPGPMRW

7.14

-9.25

-2.11
6 KRYGPPRW

6.89

-8.97

-2.08
7 FRFGMLRW

6.31

-8.26

-1.95
8 FRYGPMRW

7.11

-9.03

-1.92
9 FRWGPPRW

7.64

-9.5

-1.86
10 FRYGPFRW

7.02

-8.83

-1.81
11 FRFGPFRW

7.27

-9.01

-1.74
12 FRFGPMRW

7.18

-8.85

-1.67
13 FRPGPLRW

6.91

-8.51

-1.6
14 QRFGPLRW

7.08

-8.63

-1.55
15 FRFGPPRW

7.45

-9.0

-1.55
16 FRWGPLRW

7.16

-8.62

-1.46
17 FRYGPLRW

6.97

-8.4

-1.43
18 FRFGMPRW

7.45

-8.82

-1.37
19 KRFGPLRW

7.04

-8.38

-1.34
20 QRFGPPRW

7.06

-8.33

-1.27
21 FRPGPFRW

7.1

-8.27

-1.17
22 KRFGMPRW

7.4

-8.41

-1.01
23 FRFGMFRW

7.27

-8.17

-0.9
24 FRYGMPRW

7.35

-8.15

-0.8
25 KRPGPPRW

7.99

-8.72

-0.73
26 KRFGPPRW

7.21

-7.75

-0.54
27 QRFGPFRW

8.08

-8.6

-0.52
28 FRFGPLRW

8.48

-8.91

-0.43
29 KRFGPFRW

7.93

-8.22

-0.29
30 KRFGPMRW

8.19

-8.32

-0.13

 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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