Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-8.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 0.596 ΔGbinding -0.280
TOTAL
 0.316
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.769
Van der Waals -3.935 Backbone clash 0.226
Electrostatics 0.237 Helix dipole 0.000
Solvation Polar 4.770 Water bridges -0.049
Solvation Hyd -4.976 Disulfide 0.000
VdW clashes 1.584 Electrost. Kon 0.296
Entropy sc 0.920 Part.cov.bonds 0.000
Entropy mc

2.654

 ΔGstability

10.771
       

Predicted ligand sequences for model [YSC84_2A08-8.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).
 
  YSC84_2A08-8.PDB  

(data)
# Predicted Sequences Value Calculate
1 EYPFLPPF 0.0
2 EYPFLPPY 0.01
3 DYPFLPPF 0.04
4 EWPFLPPF 0.04
5 DYPFLPPY 0.05
6 EWPFLPPY 0.05
7 DWPFLPPY 0.08
8 DWPFLPPF 0.08
9 EYPFLRPF 0.08
10 EYPFLPHF 0.09
11 EYPFLRPY 0.09
12 EYPFLPHY 0.1
13 EWPFLRPF 0.12
14 EYPFRPPF 0.12
15 DYPFLRPF 0.12
16 FYPFLPPF 0.12
17 DYPFLPHF 0.12
18 EWPFLRPY 0.13
19 EYPFRPPY 0.13
20 DYPFLRPY 0.13
21 FYPFLPPY 0.13
22 EWPFLPHF 0.13
23 DYPFLPHY 0.13
24 EWPFLPHY 0.14
25 EYPFLNPF 0.14
26 EYPFLNPY 0.15
27 DWPFLPHF 0.16
28 EWPFRPPF 0.16
29 DWPFLRPF 0.16
30 DYPFRPPF 0.16
31 FWPFLPPF 0.16
32 DYPFRPPY 0.17
33 EYPFLRHF 0.17
34 DWPFLPHY 0.17
35 EWPFRPPY 0.17
36 DWPFLRPY 0.17
37 FWPFLPPY 0.17
38 DYPFLNPF 0.18
39 EYPFLRHY 0.18
40 EWPFLNPF 0.18
41 DYPFLNPY 0.19
42 EWPFLNPY 0.19
43 EYPFRRPF 0.2
44 DWPFRPPF 0.2
45 DWPFRPPY 0.2
46 EYPFRRPY 0.21
47 FYPFLRPY 0.21
48 FYPFLRPF 0.21
49 EWPFLRHF 0.21
50 FYPFLPHF 0.21
51 EYPFRPHF 0.21
52 DYPFLRHF 0.21
53 EYMFLPPF 0.21
54 EWPFLRHY 0.22
55 DWPFLNPF 0.22
56 FYPFLPHY 0.22
57 EYPFRPHY 0.22
58 DYPFLRHY 0.22
59 EYMFLPPY 0.22
60 EYPFMPPF 0.23
61 DWPFLNPY 0.23
62 EYPFLNHF 0.23
63 EYPFLPPK 0.24
64 EYPFMPPY 0.24
65 FYPFRPPF 0.24
66 FWPFLRPF 0.24
67 DYPFRPHF 0.24
68 EWPFRRPF 0.24
69 EYPFLNHY 0.24
70 DYPFRRPF 0.24
71 EWPFRPHF 0.25
72 DYMFLPPF 0.25
73 FYPFRPPY 0.25
74 FWPFLRPY 0.25
75 DWPFLRHF 0.25
76 DYPFRPHY 0.25
77 EWPFRRPY 0.25
78 FWPFLPHF 0.25
79 EWMFLPPF 0.25
80 DYPFRRPY 0.25
81 EWPFRPHY 0.26
82 DYMFLPPY 0.26
83 DWPFLRHY 0.26
84 FWPFLPHY 0.26
85 EWMFLPPY 0.26
86 DYPFMPPF 0.26
87 EYPFRNPF 0.26
88 FYPFLNPF 0.27
89 EWPFLNHF 0.27
90 EWPFMPPY 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 EWPFLPHF

3.34

-8.77

-5.43
2 EYPFLPPF

3.16

-8.36

-5.2
3 EWPFLPPF

3.29

-8.41

-5.12
4 EWPFLPPY

3.12

-8.19

-5.07
5 DWPFLPHF

3.27

-8.14

-4.87
6 DYPFLPHY

3.25

-8.12

-4.87
7 DYPFLPPF

3.13

-7.98

-4.85
8 EWPFRPPF

3.33

-8.09

-4.76
9 EWPFLPHY

3.22

-7.91

-4.69
10 DWPFLPPY

3.21

-7.83

-4.62
11 FYPFLPPY

3.25

-7.76

-4.51
12 EYPFRPPY

2.8

-7.08

-4.28
13 DWPFLPPF

3.39

-7.27

-3.88
14 EYPFLPPY

3.13

-6.96

-3.83
15 EYPFRPPF

3.19

-6.53

-3.34
16 DYPFLPPY

2.83

-6.09

-3.26
17 DYPFLPHF

2.82

-6.02

-3.2
18 DYPFRPPF

3.16

-6.09

-2.93
19 FYPFLPPF

2.89

-5.55

-2.66
20 EYPFLRPY

3.55

-5.82

-2.27
21 EWPFLRPF

3.99

-6.17

-2.18
22 EYPFLPHF

2.43

-4.51

-2.08
23 DYPFLRPY

3.85

-5.92

-2.07
24 EYPFLPHY

2.39

-4.3

-1.91
25 EYPFLNPF

4.03

-5.76

-1.73
26 EYPFLNPY

3.84

-5.5

-1.66
27 DYPFLRPF

3.64

-4.78

-1.14
28 EWPFLRPY

3.41

-4.23

-0.82
29 DWPFLRPF

4.32

-4.3

0.02
30 EYPFLRPF

3.65

-2.32

1.33

 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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