Predicted ligand sequences (modelled structure)


ADAN-name: LSB1_1CKA-7.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8
poly-Ala A
G
 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 5.368 ΔGbinding -3.193
TOTAL
 2.175
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.206
Van der Waals -2.728 Backbone clash -0.000
Electrostatics 0.053 Helix dipole 0.000
Solvation Polar 2.391 Water bridges -0.022
Solvation Hyd -4.011 Disulfide 0.000
VdW clashes 0.455 Electrost. Kon 0.042
Entropy sc 0.503 Part.cov.bonds 0.000
Entropy mc

1.192

 ΔGstability

26.664
       

Predicted ligand sequences for model [LSB1_1CKA-7.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-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 VMPMPPMM 0.0
2 VMRMPPMM 0.02
3 VMPMPPMR 0.03
4 VMPMPPMW 0.03
5 VMKMPPMM 0.03
6 VMPMPPWM 0.04
7 VMRMPPMW 0.05
8 VMRMPPMR 0.05
9 VMRMPPWM 0.06
10 VMKMPPMR 0.06
11 VMKMPPMW 0.06
12 VMKMPPWM 0.07
13 VMPMPPWR 0.07
14 VMPMPPWW 0.07
15 VMRMPPWW 0.09
16 VMRMPPWR 0.09
17 VMPMPPYM 0.1
18 VMKMPPWW 0.1
19 WMPMPPMM 0.11
20 VMKMPPWR 0.11
21 VMRMPPYM 0.12
22 VMPMPPYW 0.13
23 WMRMPPMM 0.13
24 WMKMPPMM 0.14
25 VMKMPPYM 0.14
26 WMPMPPMW 0.14
27 WMPMPPMR 0.14
28 VMPMPPYR 0.14
29 WMPMPPWM 0.15
30 VMRMPPYR 0.15
31 VMRMPPYW 0.15
32 WMRMPPMW 0.15
33 VMKMPPYW 0.16
34 VMPWPPMM 0.16
35 WMRMPPMR 0.16
36 WMKMPPMR 0.17
37 WMKMPPMW 0.17
38 VMKMPPYR 0.17
39 VMPFPPMM 0.17
40 WMRMPPWM 0.17
41 VMRWPPMM 0.18
42 WMPMPPWR 0.18
43 WMPMPPWW 0.18
44 WMKMPPWM 0.18
45 VMPWPPMW 0.19
46 VMPWPPMR 0.19
47 VMRFPPMM 0.19
48 VMKWPPMM 0.19
49 VMPWPPWM 0.2
50 VMPFPPMW 0.2
51 WMRMPPWR 0.2
52 WMRMPPWW 0.2
53 VMKFPPMM 0.2
54 VMPFPPMR 0.2
55 KMPMPPMM 0.21
56 VMRWPPMR 0.21
57 WMPMPPYM 0.21
58 WMKMPPWR 0.21
59 WMKMPPWW 0.21
60 VMRWPPMW 0.21
61 VMPFPPWM 0.21
62 VMRFPPMW 0.22
63 VMRFPPMR 0.22
64 VMRWPPWM 0.22
65 VMKWPPMW 0.22
66 VMKWPPMR 0.22
67 VMRFPPWM 0.23
68 VMKWPPWM 0.23
69 VMPWPPWW 0.23
70 WMRMPPYM 0.23
71 VMKFPPMW 0.23
72 KMRMPPMM 0.23
73 WMKMPPYM 0.24
74 VMPWPPWR 0.24
75 KMPMPPMR 0.24
76 KMPMPPMW 0.24
77 KMKMPPMM 0.24
78 WMPMPPYR 0.24
79 WMPMPPYW 0.24
80 VMKFPPMR 0.24
81 VMPFPPWW 0.24
82 VMKFPPWM 0.25
83 VMRWPPWR 0.25
84 VMRWPPWW 0.25
85 VMPFPPWR 0.25
86 KMPMPPWM 0.25
87 VMRFPPWW 0.26
88 VMKWPPWW 0.26
89 VMPWPPYM 0.26
90 WMRMPPYR 0.26
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 VMKMPPWM

6.19

-10.36

-4.17
2 VMKMPPYM

6.36

-10.21

-3.85
3 VMRMPPYM

6.27

-9.76

-3.49
4 VMKMPPWW

5.97

-9.42

-3.45
5 VMKMPPMM

7.16

-10.38

-3.22
6 VMKMPPMR

7.17

-10.33

-3.16
7 VMPMPPWR

5.99

-8.98

-2.99
8 VMPMPPMR

7.37

-10.36

-2.99
9 WMPMPPMM

7.33

-10.06

-2.73
10 VMKMPPMW

7.4

-10.1

-2.7
11 WMPMPPMW

7.5

-10.18

-2.68
12 WMPMPPWM

5.88

-8.55

-2.67
13 VMRMPPMW

7.79

-10.46

-2.67
14 VMRMPPWM

6.4

-9.04

-2.64
15 VMPMPPMW

7.45

-10.08

-2.63
16 WMPMPPMR

7.4

-10.03

-2.63
17 VMPMPPMM

7.54

-10.03

-2.49
18 VMPMPPYM

7.9

-9.99

-2.09
19 VMPMPPYR

7.99

-10.01

-2.02
20 VMPMPPWW

7.1

-9.07

-1.97
21 VMRMPPWW

6.02

-7.97

-1.95
22 VMPMPPWM

7.04

-8.97

-1.93
23 VMRMPPMM

8.07

-9.88

-1.81
24 WMRMPPMM

7.8

-9.57

-1.77
25 VMRMPPMR

6.63

-8.34

-1.71
26 VMPMPPYW

7.97

-9.67

-1.7
27 VMRMPPYR

8.32

-9.78

-1.46
28 VMKMPPWR

7.87

-9.18

-1.31
29 VMRMPPWR

7.39

-8.43

-1.04
30 WMKMPPMM

8.03

-8.87

-0.84

 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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