Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKB-27.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 G
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 14.813 ΔGbinding 5.626
TOTAL
 20.439
Backbone Hb -1.525 Cis_bond 0.000
Sidechain Hb -1.525 Torsional clash 0.231
Van der Waals -4.108 Backbone clash 0.021
Electrostatics -0.127 Helix dipole 0.000
Solvation Polar 6.121 Water bridges -0.161
Solvation Hyd -5.165 Disulfide 0.000
VdW clashes 8.405 Electrost. Kon -0.112
Entropy sc 1.036 Part.cov.bonds 0.000
Entropy mc

2.555

 ΔGstability

84.032
       

Predicted ligand sequences for model [LSB1_1CKB-27.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-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRPGDHIRR 0.0
2 HRRGDHIRR 0.03
3 HRPGDHPRR 0.03
4 HRRGDHPRR 0.06
5 HRPGDHIPR 0.12
6 HRPGDHPPR 0.15
7 HRRGDHIPR 0.15
8 HRHGDHIRR 0.17
9 HRPGDHIRK 0.17
10 HRPGDHIRW 0.17
11 HRRGDHPPR 0.18
12 HRRGDHIRK 0.19
13 HRRGDHIRW 0.2
14 HRPGDHPRK 0.2
15 HRPGDHPRW 0.2
16 HRHGDHPRR 0.2
17 HRPGDRIRR 0.2
18 HRRGDHPRK 0.22
19 HRPGDRPRR 0.23
20 HRRGDHPRW 0.23
21 HRRGDRIRR 0.23
22 HDPGDHIRR 0.25
23 HRRGDRPRR 0.26
24 HRPGKHIRR 0.27
25 HDRGDHIRR 0.28
26 HDPGDHPRR 0.28
27 HRPGHHIRR 0.29
28 HRRGKHIRR 0.29
29 HRHGDHIPR 0.29
30 HRPGDHIPK 0.29
31 HRPGDHIPW 0.29
32 HRPGKHPRR 0.3
33 HRRGDHIPK 0.31
34 HDRGDHPRR 0.31
35 HRRGHHIRR 0.32
36 HRPGDHPPW 0.32
37 HRPGDHPPK 0.32
38 HRRGDHIPW 0.32
39 HRRGKHPRR 0.32
40 HGPGDHIRR 0.32
41 HRHGDHPPR 0.32
42 HRPGHHPRR 0.32
43 HRPGDRIPR 0.32
44 HRRGDHPPK 0.34
45 HRPGDHIIR 0.34
46 HRHGDHIRK 0.34
47 HRHGDHIRW 0.34
48 HRRGDHPPW 0.35
49 HRRGHHPRR 0.35
50 HGRGDHIRR 0.35
51 HRPGDRPPR 0.35
52 HRRGDRIPR 0.35
53 HGPGDHPRR 0.35
54 FRPGDHIRR 0.36
55 HRHGDRIRR 0.37
56 HRRGDHIIR 0.37
57 HRPGDHPIR 0.37
58 HDPGDHIPR 0.37
59 HRHGDHPRW 0.37
60 HRHGDHPRK 0.37
61 HRPGDRIRK 0.37
62 HRPGDRIRW 0.37
63 HRRGDRPPR 0.38
64 FRRGDHIRR 0.38
65 HGRGDHPRR 0.38
66 FRPGDHPRR 0.39
67 HRPGKHIPR 0.39
68 HRRGDRIRK 0.39
69 HDRGDHIPR 0.4
70 HRPGDRPRW 0.4
71 HRPGDRPRK 0.4
72 HRHGDRPRR 0.4
73 HRRGDRIRW 0.4
74 HRRGDHPIR 0.4
75 HDPGDHPPR 0.4
76 HRRGKHIPR 0.41
77 HRPGHHIPR 0.41
78 FRRGDHPRR 0.41
79 RRPGDHIRR 0.41
80 HRRGDRPRK 0.42
81 HRPGKHPPR 0.42
82 HDPGDHIRW 0.42
83 HDPGDHIRK 0.42
84 HDHGDHIRR 0.42
85 RRRGDHIRR 0.43
86 HRPGDFIRR 0.43
87 HRRGDRPRW 0.43
88 HDRGDHPPR 0.43
89 HRPGKHIRW 0.44
90 HRPGKHIRK 0.44
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HRRGDHPRK

6.67

-8.64

-1.97
2 HRRGDHIRW

5.7

-7.44

-1.74
3 HRRGDRPRR

5.21

-6.77

-1.56
4 HRRGDHIPR

4.86

-5.87

-1.01
5 HRHGDHIRR

6.52

-7.29

-0.77
6 HRPGDHIPR

4.43

-5.16

-0.73
7 HRPGDHIPK

6.8

-7.46

-0.66
8 HRPGDHPRK

3.45

-4.08

-0.63
9 HRPGDRIRR

5.47

-5.95

-0.48
10 HRRGDHPRR

5.29

-5.74

-0.45
11 HRPGDHIRR

6.52

-6.9

-0.38
12 HRPGDRPRR

6.26

-6.54

-0.28
13 HRRGDRIRR

6.59

-6.79

-0.2
14 HRHGDHPRR

4.45

-4.51

-0.06
15 HRRGDHIRK

7.19

-7.08

0.11
16 HRPGDHPRR

4.87

-4.65

0.22
17 HRRGDHPPR

6.74

-6.5

0.24
18 HRPGDHIRW

5.4

-5.12

0.28
19 HRRGDHIRR

5.6

-5.17

0.43
20 HRPGDHPPR

4.44

-3.94

0.5
21 HDRGDHIRR

4.61

-4.08

0.53
22 HRPGDHPRW

6.29

-5.71

0.58
23 HRPGDHIRK

6.12

-5.5

0.62
24 HRHGDHIPR

5.14

-4.34

0.8
25 HRRGKHIRR

7.37

-6.17

1.2
26 HRRGDHPRW

6.32

-4.95

1.37
27 HDPGDHPRR

5.26

-3.87

1.39
28 HRPGHHIRR

4.94

-3.35

1.59
29 HRPGKHIRR

5.44

-3.79

1.65
30 HDPGDHIRR

7.91

-6.07

1.84

 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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