Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-29.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 0.392 ΔGbinding 0.543
TOTAL
 0.935
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.406
Van der Waals -3.859 Backbone clash 0.051
Electrostatics 0.152 Helix dipole 0.000
Solvation Polar 3.968 Water bridges -0.137
Solvation Hyd -5.228 Disulfide 0.000
VdW clashes 2.411 Electrost. Kon 0.171
Entropy sc 0.374 Part.cov.bonds 0.000
Entropy mc

2.286

 ΔGstability

14.067
       

Predicted ligand sequences for model [YSC84_2A08-29.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_2A08-29.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERPPIDPRRR 0.0
2 DRPPIDPRRR 0.0
3 DEPPIDPRRR 0.02
4 EEPPIDPRRR 0.03
5 ERPPIDPRRH 0.03
6 DRPPIDPRRH 0.03
7 ERPPIDPWRR 0.04
8 ERPPIDRRRR 0.04
9 DRPPIDPWRR 0.04
10 DRPPIDRRRR 0.04
11 DRPWIDPRRR 0.05
12 DEPPIDPRRH 0.05
13 ERPWIDPRRR 0.05
14 EEPPIDPRRH 0.05
15 EEPPIDRRRR 0.06
16 DEPPIDRRRR 0.06
17 DRPPIDRRRH 0.06
18 EEPPIDPWRR 0.07
19 ERPPIDPWRH 0.07
20 DRPPIDPWRH 0.07
21 ERPPIDRRRH 0.07
22 DEPWIDPRRR 0.07
23 DEPPIDPWRR 0.07
24 DRPWIDPRRH 0.08
25 EEPWIDPRRR 0.08
26 DRPPIDRWRR 0.08
27 ERPWIDPRRH 0.08
28 ERPPIDRWRR 0.08
29 ERPWIDRRRR 0.09
30 EEPPIDRRRH 0.09
31 RRPPIDPRRR 0.09
32 DRPWIDRRRR 0.09
33 DEPPIDRRRH 0.09
34 ERPWIDPWRR 0.1
35 EEPWIDPRRH 0.1
36 DEPPIDRWRR 0.1
37 DEPWIDPRRH 0.1
38 DRPWIDPWRR 0.1
39 EEPPIDPWRH 0.1
40 DEPPIDPWRH 0.1
41 EEPPIDRWRR 0.1
42 EEPWIDRRRR 0.11
43 DEPWIDRRRR 0.11
44 DRPWIDRRRH 0.11
45 DRPPIDRWRH 0.11
46 ERPPIDRWRH 0.11
47 ERPWIDRRRH 0.12
48 DEPWIDPWRR 0.12
49 ERPPIRPRRR 0.12
50 ERPWIDPWRH 0.12
51 RRPPIDPRRH 0.12
52 EEPWIDPWRR 0.12
53 DRPPIRPRRR 0.12
54 REPPIDPRRR 0.12
55 DRPWIDPWRH 0.12
56 ERPPLDPRRR 0.13
57 ERPWIDRWRR 0.13
58 DEPPIDRWRH 0.13
59 ERPPIDHRRR 0.13
60 DRPPIDHRRR 0.13
61 DRPPLDPRRR 0.13
62 DRPWIDRWRR 0.13
63 RRPPIDRRRR 0.13
64 EEPPIDRWRH 0.13
65 RRPPIDPWRR 0.14
66 DRPPRDPRRR 0.14
67 RRPWIDPRRR 0.14
68 EEPWIDRRRH 0.14
69 ERPPRDPRRR 0.14
70 DEPWIDRRRH 0.14
71 DEPWIDRWRR 0.15
72 EEPWIDPWRH 0.15
73 ERPPIRPRRH 0.15
74 DEPPIRPRRR 0.15
75 EEPPIDHRRR 0.15
76 REPPIDRRRR 0.15
77 DEPPIDHRRR 0.15
78 DEPPLDPRRR 0.15
79 DRPPIRPRRH 0.15
80 REPPIDPRRH 0.15
81 ERPPIDHRRH 0.15
82 DRPPIDHRRH 0.15
83 DRPPLDPRRH 0.15
84 EEPPIRPRRR 0.15
85 DEPWIDPWRH 0.15
86 EEPPLDPRRR 0.15
87 ERPPIRRRRR 0.16
88 ERPPLDRRRR 0.16
89 ERPPLDPRRH 0.16
90 EEPPRDPRRR 0.16
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ERPWIDRRRR

2.46

-12.13

-9.67
2 DRPPIDPRRH

2.27

-11.69

-9.42
3 DRPWIDPRRH

1.61

-10.81

-9.2
4 ERPPIDPRRH

1.85

-10.87

-9.02
5 DRPPIDPRRR

3.28

-11.69

-8.41
6 DEPPIDPWRR

3.84

-11.56

-7.72
7 ERPPIDPWRH

2.38

-9.93

-7.55
8 DEPPIDPRRH

2.87

-10.42

-7.55
9 DRPPIDRRRR

3.26

-10.8

-7.54
10 DEPPIDRRRR

3.64

-11.11

-7.47
11 DRPPIDPWRH

3.8

-11.19

-7.39
12 ERPPIDRRRR

3.65

-10.93

-7.28
13 ERPPIDRRRH

3.11

-10.35

-7.24
14 DEPPIDPRRR

4.38

-11.62

-7.24
15 EEPPIDRRRR

3.12

-10.28

-7.16
16 EEPPIDPRRH

3.44

-10.41

-6.97
17 EEPWIDPRRR

3.98

-10.92

-6.94
18 ERPPIDPRRR

3.89

-10.73

-6.84
19 DRPPIDRRRH

3.92

-10.74

-6.82
20 DRPWIDPRRR

4.37

-11.19

-6.82
21 ERPWIDPRRR

4.64

-11.32

-6.68
22 DEPWIDPRRR

4.71

-11.24

-6.53
23 EEPPIDPRRR

4.85

-11.31

-6.46
24 EEPPIDRRRH

3.73

-10.06

-6.33
25 DRPPIDRWRR

2.82

-9.07

-6.25
26 EEPPIDPWRR

2.47

-8.63

-6.16
27 ERPPIDRWRR

2.86

-8.97

-6.11
28 DRPPIDPWRR

4.39

-10.49

-6.1
29 ERPWIDPRRH

4.04

-10.01

-5.97
30 ERPPIDPWRR

4.44

-10.37

-5.93

 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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