Predicted ligand sequences (modelled structure)


ADAN-name: LSB3_1OOT-1.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 1.946 ΔGbinding -2.744
TOTAL
 -0.798
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 2.029
Van der Waals -4.218 Backbone clash 0.092
Electrostatics -0.131 Helix dipole 0.000
Solvation Polar 4.476 Water bridges -0.014
Solvation Hyd -6.212 Disulfide 0.000
VdW clashes 1.602 Electrost. Kon -0.183
Entropy sc 1.042 Part.cov.bonds 0.000
Entropy mc

1.415

 ΔGstability

15.499
       

Predicted ligand sequences for model [LSB3_1OOT-1.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).
 
  LSB3_1OOT-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRRRFKRKY 0.0
2 RRRRRFKDKY 0.0
3 HRRRRFKDKY 0.04
4 HRRRRFKRKY 0.04
5 RRRRRYKRKY 0.09
6 RRRRRYKDKY 0.09
7 RRRRPFKRKY 0.12
8 RRRRPFKDKY 0.12
9 RRRRRWKRKY 0.13
10 RRRRRWKDKY 0.13
11 HRRRRYKDKY 0.13
12 HRRRRYKRKY 0.13
13 RRRRRFKPKY 0.14
14 RRRRKFKDKY 0.14
15 RRRRKFKRKY 0.14
16 HRRRPFKRKY 0.15
17 HRRRPFKDKY 0.15
18 HRRRRWKDKY 0.16
19 HRRRRWKRKY 0.16
20 HRRRRFKPKY 0.17
21 HRRRKFKDKY 0.18
22 HRRRKFKRKY 0.18
23 RRKRRFKDKY 0.2
24 MRRRRFKRKY 0.2
25 MRRRRFKDKY 0.2
26 RRKRRFKRKY 0.2
27 RRRRPYKRKY 0.21
28 RRQRRFKDKY 0.21
29 RRRRPYKDKY 0.21
30 RRQRRFKRKY 0.21
31 HRKRRFKRKY 0.23
32 RRRRKYKRKY 0.23
33 RRRRRYKPKY 0.23
34 RRRRKYKDKY 0.23
35 HRRRPYKRKY 0.24
36 HRKRRFKDKY 0.24
37 HRRRPYKDKY 0.24
38 RRRRPWKDKY 0.24
39 RRRRPWKRKY 0.24
40 RRRRPFKPKY 0.25
41 HRQRRFKRKY 0.25
42 HRQRRFKDKY 0.25
43 RRRRRWKPKY 0.26
44 HRRRRYKPKY 0.26
45 RRRRKWKRKY 0.27
46 RRRRKWKDKY 0.27
47 HRRRKYKDKY 0.27
48 HRRRKYKRKY 0.27
49 HRRRPWKRKY 0.28
50 HRRRPWKDKY 0.28
51 RRRRKFKPKY 0.28
52 HRRRPFKPKY 0.29
53 RRKRRYKDKY 0.29
54 MRRRRYKDKY 0.29
55 RRKRRYKRKY 0.29
56 MRRRRYKRKY 0.29
57 HRRRKWKDKY 0.3
58 HRRRKWKRKY 0.3
59 HRRRRWKPKY 0.3
60 RRQRRYKRKY 0.3
61 RRQRRYKDKY 0.31
62 MRRRPFKRKY 0.31
63 HRRRKFKPKY 0.31
64 RRKRPFKRKY 0.31
65 MRRRPFKDKY 0.31
66 MRRRRWKRKY 0.32
67 RRKRRWKRKY 0.32
68 MRRRRWKDKY 0.32
69 RRKRPFKDKY 0.32
70 RRQRPFKDKY 0.33
71 RRKRRWKDKY 0.33
72 RRQRPFKRKY 0.33
73 HRKRRYKRKY 0.33
74 RRKRRFKPKY 0.33
75 HRKRRYKDKY 0.33
76 MRRRRFKPKY 0.33
77 RRQRRWKRKY 0.34
78 RRRRPYKPKY 0.34
79 HRQRRYKRKY 0.34
80 MRRRKFKDKY 0.34
81 RRQRRWKDKY 0.34
82 RRKRKFKDKY 0.34
83 MRRRKFKRKY 0.34
84 RRKRKFKRKY 0.34
85 HRQRRYKDKY 0.34
86 HRKRPFKRKY 0.35
87 RRQRRFKPKY 0.35
88 HRKRPFKDKY 0.35
89 RRQRKFKDKY 0.36
90 HRKRRWKRKY 0.36
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRRRRFKRKY

4.17

-15.35

-11.18
2 MRRRRFKDKY

3.89

-14.59

-10.7
3 HRRRPFKRKY

3.17

-13.76

-10.59
4 HRRRRFKDKY

3.74

-13.08

-9.34
5 HRRRPFKDKY

5.17

-14.5

-9.33
6 RRRRRWKRKY

4.57

-13.75

-9.18
7 HRRRKFKRKY

3.94

-13.03

-9.09
8 RRRRPFKDKY

4.75

-13.55

-8.8
9 RRRRPYKDKY

2.61

-11.3

-8.69
10 RRRRKFKRKY

4.86

-13.02

-8.16
11 HRRRRYKRKY

4.2

-12.34

-8.14
12 RRRRPFKRKY

4.02

-12.02

-8.0
13 RRRRRFKDKY

4.58

-12.41

-7.83
14 HRRRRYKDKY

3.78

-11.56

-7.78
15 RRRRRYKDKY

3.5

-11.22

-7.72
16 RRQRRFKDKY

3.77

-10.86

-7.09
17 HRRRRFKPKY

4.75

-11.72

-6.97
18 HRRRRFKRKY

4.34

-11.1

-6.76
19 RRKRRFKDKY

4.13

-10.76

-6.63
20 RRRRRFKPKY

6.23

-12.42

-6.19
21 HRRRKFKDKY

4.16

-10.26

-6.1
22 HRRRRWKDKY

4.88

-10.7

-5.82
23 RRRRRFKRKY

4.7

-10.33

-5.63
24 RRRRRWKDKY

4.66

-10.18

-5.52
25 RRKRRFKRKY

5.85

-11.34

-5.49
26 HRRRRWKRKY

5.65

-10.91

-5.26
27 RRQRRFKRKY

4.47

-9.64

-5.17
28 RRRRPYKRKY

3.67

-8.61

-4.94
29 RRRRKFKDKY

4.1

-8.41

-4.31
30 RRRRRYKRKY

7.11

-10.91

-3.8

 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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