Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-26.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
poly-Ala 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    

(Help)

Intraclash 3.174 ΔGbinding -2.402
TOTAL
 0.772
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.659
Van der Waals -3.509 Backbone clash 0.010
Electrostatics 0.170 Helix dipole 0.000
Solvation Polar 3.341 Water bridges -0.003
Solvation Hyd -4.875 Disulfide 0.000
VdW clashes 0.181 Electrost. Kon 0.152
Entropy sc 0.550 Part.cov.bonds 0.000
Entropy mc

2.207

 ΔGstability

58.081
       

Predicted ligand sequences for model [LSB1_1CKB-26.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).
 
  LSB1_1CKB-26.PDB  

(data)
# Predicted Sequences Value Calculate
1 SRYPRKRPF 0.0
2 SRYPKKRPF 0.04
3 SRRPRKRPF 0.06
4 SRIPRKRPF 0.08
5 SRYPHKRPF 0.1
6 SRRPKKRPF 0.1
7 SRYPRKRRF 0.1
8 SRIPKKRPF 0.11
9 ERYPRKRPF 0.11
10 SDYPRKRPF 0.13
11 SRYPKKRRF 0.14
12 ERYPKKRPF 0.14
13 TRYPRKRPF 0.14
14 SRRPHKRPF 0.16
15 SRRPRKRRF 0.17
16 SDYPKKRPF 0.17
17 ERRPRKRPF 0.17
18 SRIPHKRPF 0.18
19 SRIPRKRRF 0.18
20 TRYPKKRPF 0.18
21 SDRPRKRPF 0.19
22 ERIPRKRPF 0.19
23 ERYPRKRRF 0.21
24 ERRPKKRPF 0.21
25 ERYPHKRPF 0.21
26 SRRPKKRRF 0.21
27 TRRPRKRPF 0.21
28 SRYPHKRRF 0.21
29 SDIPRKRPF 0.21
30 ERIPKKRPF 0.22
31 SRIPKKRRF 0.22
32 TRIPRKRPF 0.22
33 SDYPHKRPF 0.23
34 SDRPKKRPF 0.23
35 SDYPRKRRF 0.23
36 SHYPRKRPF 0.24
37 TRYPHKRPF 0.24
38 EDYPRKRPF 0.24
39 SDIPKKRPF 0.24
40 TRRPKKRPF 0.24
41 ERYPKKRRF 0.25
42 TRYPRKRRF 0.25
43 TRIPKKRPF 0.26
44 SRRPHKRRF 0.27
45 EDYPKKRPF 0.27
46 ERRPHKRPF 0.27
47 SDYPKKRRF 0.27
48 TDYPRKRPF 0.27
49 SRIPHKRRF 0.28
50 SHYPKKRPF 0.28
51 ERRPRKRRF 0.28
52 ERIPHKRPF 0.29
53 ERIPRKRRF 0.29
54 TRYPKKRRF 0.29
55 SDRPHKRPF 0.29
56 SDRPRKRRF 0.3
57 EDRPRKRPF 0.3
58 SDIPHKRPF 0.31
59 SDIPRKRRF 0.31
60 SHRPRKRPF 0.31
61 ERRPKKRRF 0.31
62 ERYPHKRRF 0.31
63 TRRPRKRRF 0.31
64 TRRPHKRPF 0.31
65 TDYPKKRPF 0.31
66 SHIPRKRPF 0.32
67 TRIPHKRPF 0.32
68 EDIPRKRPF 0.32
69 SDRPKKRRF 0.33
70 ERIPKKRRF 0.33
71 TRIPRKRRF 0.33
72 SDYPHKRRF 0.34
73 EDYPHKRPF 0.34
74 SHRPKKRPF 0.34
75 SRYPRMRPF 0.34
76 EDYPRKRRF 0.34
77 EDRPKKRPF 0.34
78 TDRPRKRPF 0.34
79 SHYPRKRRF 0.35
80 EDIPKKRPF 0.35
81 SHYPHKRPF 0.35
82 TDIPRKRPF 0.35
83 TRYPHKRRF 0.35
84 SDIPKKRRF 0.35
85 EHYPRKRPF 0.35
86 TRRPKKRRF 0.35
87 SHIPKKRPF 0.36
88 TRIPKKRRF 0.36
89 TDRPKKRPF 0.37
90 TDYPHKRPF 0.37
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 SRYPRKRRF

3.58

-10.76

-7.18
2 SRYPHKRRF

3.14

-9.71

-6.57
3 SRYPHKRPF

3.99

-10.54

-6.55
4 ERYPKKRPF

3.21

-9.66

-6.45
5 TRYPRKRPF

3.6

-9.98

-6.38
6 ERYPRKRPF

3.66

-9.97

-6.31
7 TRYPKKRPF

3.6

-9.86

-6.26
8 SRYPKKRPF

3.23

-9.47

-6.24
9 SDYPKKRPF

3.12

-9.09

-5.97
10 SRYPKKRRF

3.73

-9.65

-5.92
11 SRYPRKRPF

4.01

-9.56

-5.55
12 ERYPHKRPF

3.94

-9.47

-5.53
13 ERYPRKRRF

2.51

-7.99

-5.48
14 SDRPRKRPF

2.77

-8.2

-5.43
15 SRRPRKRPF

2.78

-8.14

-5.36
16 SRIPRKRRF

2.41

-7.57

-5.16
17 ERIPRKRPF

2.46

-7.55

-5.09
18 SRRPHKRPF

2.62

-7.62

-5.0
19 ERIPKKRPF

2.84

-7.67

-4.83
20 SRRPKKRPF

2.41

-7.22

-4.81
21 TRRPRKRPF

2.7

-7.47

-4.77
22 ERRPKKRPF

2.7

-7.41

-4.71
23 SDYPRKRPF

3.12

-7.81

-4.69
24 ERRPRKRPF

2.87

-7.54

-4.67
25 SRIPHKRPF

3.11

-7.7

-4.59
26 SRIPRKRPF

2.59

-7.06

-4.47
27 SRRPRKRRF

2.61

-7.02

-4.41
28 SRRPKKRRF

2.92

-7.09

-4.17
29 SRIPKKRPF

2.58

-6.34

-3.76
30 SDIPRKRPF

1.99

-5.62

-3.63

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER