Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-25.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    

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Intraclash 7.308 ΔGbinding 3.180
TOTAL
 10.488
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.578
Van der Waals -3.708 Backbone clash 0.028
Electrostatics 0.091 Helix dipole 0.000
Solvation Polar 3.699 Water bridges -0.024
Solvation Hyd -5.220 Disulfide 0.000
VdW clashes 4.982 Electrost. Kon 0.067
Entropy sc 0.572 Part.cov.bonds 0.000
Entropy mc

3.418

 ΔGstability

35.223
       

Predicted ligand sequences for model [LSB1_1CKA-25.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_1CKA-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 HRRPKHPVM 0.0
2 HRRPKHRVM 0.03
3 HRRPKHHVM 0.08
4 HYRPKHPVM 0.11
5 HRRPKHPPM 0.12
6 HYRPKHRVM 0.14
7 HRRPKHRPM 0.15
8 RRRPKHPVM 0.15
9 RRRPKHRVM 0.18
10 HYRPKHHVM 0.19
11 HRRPKHHPM 0.2
12 DRRPKHPVM 0.21
13 RRRPKHHVM 0.23
14 HYRPKHPPM 0.23
15 DRRPKHRVM 0.24
16 HYRPKHRPM 0.26
17 RYRPKHPVM 0.26
18 RRRPKHPPM 0.27
19 HRRPKHPIM 0.28
20 DRRPKHHVM 0.29
21 RYRPKHRVM 0.29
22 HRRKKHPVM 0.3
23 RRRPKHRPM 0.3
24 HRRPKHRIM 0.31
25 HYRPKHHPM 0.31
26 HRRPIHPVM 0.31
27 DRRPKHPPM 0.33
28 DYRPKHPVM 0.33
29 HRRKKHRVM 0.33
30 HRRPIHRVM 0.34
31 RYRPKHHVM 0.34
32 RRRPKHHPM 0.35
33 DYRPKHRVM 0.35
34 DRRPKHRPM 0.36
35 HRRPKHHIM 0.36
36 HRRKKHHVM 0.38
37 HRRPIHHVM 0.39
38 RYRPKHPPM 0.39
39 HRRFKHPVM 0.4
40 HYRPKHPIM 0.4
41 DYRPKHHVM 0.4
42 DRRPKHHPM 0.41
43 RYRPKHRPM 0.41
44 HYRKKHPVM 0.42
45 HYRPIHPVM 0.42
46 HYRPKHRIM 0.42
47 HRRPIHPPM 0.43
48 HRRFKHRVM 0.43
49 HRRKKHPPM 0.43
50 RRRPKHPIM 0.43
51 HYRKKHRVM 0.44
52 HYRPIHRVM 0.45
53 HRRKKHRPM 0.45
54 DYRPKHPPM 0.45
55 HRRPRHPVM 0.45
56 RRRPKHRIM 0.46
57 RYRPKHHPM 0.46
58 RRRPIHPVM 0.46
59 HRRPIHRPM 0.46
60 RRRKKHPVM 0.46
61 HRRPRHRVM 0.47
62 HRPPKHPVM 0.47
63 HYRPKHHIM 0.47
64 DYRPKHRPM 0.47
65 RRRKKHRVM 0.48
66 HRRFKHHVM 0.48
67 HYRKKHHVM 0.49
68 RRRPIHRVM 0.49
69 HRPPKHRVM 0.49
70 DRRPKHPIM 0.5
71 HRRKKHHPM 0.5
72 HYRPIHHVM 0.5
73 HRRPIHHPM 0.51
74 RRRPKHHIM 0.51
75 DRRPKHRIM 0.52
76 HYRFKHPVM 0.52
77 HRRPRHHVM 0.52
78 DRRKKHPVM 0.52
79 DRRPIHPVM 0.52
80 DYRPKHHPM 0.52
81 HRRFKHPPM 0.52
82 RRRKKHHVM 0.53
83 RRRPIHHVM 0.54
84 HRPPKHHVM 0.54
85 HYRKKHPPM 0.54
86 HYRPIHPPM 0.54
87 DRRKKHRVM 0.54
88 HYRFKHRVM 0.54
89 RYRPKHPIM 0.55
90 RRRFKHPVM 0.55
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRPKHHVM

4.08

-7.26

-3.18
2 HRRPKHRPM

4.46

-7.49

-3.03
3 HRRPIHPVM

4.49

-7.49

-3.0
4 RRRPKHPPM

4.47

-7.35

-2.88
5 RRRPKHPVM

4.55

-7.31

-2.76
6 RRRPKHRPM

4.55

-7.22

-2.67
7 HRRPKHPVM

4.01

-6.41

-2.4
8 HRRPKHRVM

4.47

-6.82

-2.35
9 RYRPKHPVM

4.87

-7.01

-2.14
10 HRRPKHPIM

5.72

-7.81

-2.09
11 DRRPKHHVM

4.16

-6.25

-2.09
12 HRRPKHRIM

6.17

-8.11

-1.94
13 HRRPKHPPM

4.4

-6.33

-1.93
14 RRRPKHRVM

4.96

-6.84

-1.88
15 RYRPKHRVM

3.8

-5.5

-1.7
16 DRRPKHPVM

4.42

-6.08

-1.66
17 HRRPKHHVM

4.62

-6.22

-1.6
18 HRRKKHRVM

4.06

-5.59

-1.53
19 HRRPKHHPM

4.14

-5.65

-1.51
20 HRRPIHRVM

4.72

-6.18

-1.46
21 HYRPKHHVM

4.56

-6.02

-1.46
22 HRRKKHPVM

4.56

-5.9

-1.34
23 DRRPKHRVM

6.52

-7.85

-1.33
24 HYRPKHPPM

3.7

-4.65

-0.95
25 HYRPKHRPM

4.22

-5.15

-0.93
26 DRRPKHPPM

4.37

-5.27

-0.9
27 DYRPKHPVM

4.65

-5.41

-0.76
28 HYRPKHPVM

4.37

-4.91

-0.54
29 HYRPKHHPM

4.34

-4.73

-0.39
30 HYRPKHRVM

6.43

-5.62

0.81

 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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