Predicted ligand sequences (modelled structure)


ADAN-name: BBC1_1ZUK3-14.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 1.502 ΔGbinding -0.123
TOTAL
 1.379
Backbone Hb -0.000 Cis_bond 0.000
Sidechain Hb -0.000 Torsional clash 0.149
Van der Waals -3.943 Backbone clash 0.111
Electrostatics 0.640 Helix dipole 0.000
Solvation Polar 4.037 Water bridges 0.000
Solvation Hyd -6.254 Disulfide 0.000
VdW clashes 0.774 Electrost. Kon 0.851
Entropy sc 0.420 Part.cov.bonds 0.000
Entropy mc

3.204

 ΔGstability

11.645
       

Predicted ligand sequences for model [BBC1_1ZUK3-14.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).
 
  BBC1_1ZUK3-14.PDB  

(data)
# Predicted Sequences Value Calculate
1 MPPRIRKKR 0.0
2 MPFRIRKKR 0.01
3 KPPRIRKKR 0.03
4 KPFRIRKKR 0.04
5 MPPRVRKKR 0.07
6 MPYRIRKKR 0.08
7 MPFRVRKKR 0.08
8 MPPRIRWKR 0.1
9 KPPRVRKKR 0.1
10 KPYRIRKKR 0.11
11 KPFRVRKKR 0.11
12 MPFRIRWKR 0.11
13 MPPRIRRKR 0.12
14 MPFRIRRKR 0.13
15 KPPRIRWKR 0.13
16 KPPRIRRKR 0.15
17 MPYRVRKKR 0.15
18 KPFRIRWKR 0.15
19 KPFRIRRKR 0.17
20 MPPRVRWKR 0.17
21 MPYRIRWKR 0.18
22 KPYRVRKKR 0.18
23 MPFRVRWKR 0.18
24 MPPRVRRKR 0.19
25 KPPRVRWKR 0.2
26 MPFRVRRKR 0.2
27 MPYRIRRKR 0.2
28 KPFRVRWKR 0.21
29 KPYRIRWKR 0.21
30 KPPRVRRKR 0.22
31 KPYRIRRKR 0.23
32 KPFRVRRKR 0.23
33 MPYRVRWKR 0.25
34 MPYRVRRKR 0.27
35 KPYRVRWKR 0.28
36 KPYRVRRKR 0.3
37 MFPRIRKKR 0.33
38 MIPRIRKKR 0.35
39 MFFRIRKKR 0.35
40 MIFRIRKKR 0.36
41 KFPRIRKKR 0.37
42 KFFRIRKKR 0.38
43 KIPRIRKKR 0.39
44 MPPKIRKKR 0.39
45 MFPRVRKKR 0.4
46 MPFKIRKKR 0.4
47 KIFRIRKKR 0.4
48 MFYRIRKKR 0.41
49 MFFRVRKKR 0.41
50 MPPRTRKKR 0.41
51 MPFRTRKKR 0.42
52 KPPKIRKKR 0.42
53 MIPRVRKKR 0.42
54 KPFKIRKKR 0.43
55 MIYRIRKKR 0.43
56 LPPRIRKKR 0.43
57 MIFRVRKKR 0.43
58 MFPRIRWKR 0.43
59 KFPRVRKKR 0.43
60 LPFRIRKKR 0.44
61 KIPRVRKKR 0.45
62 MIPRIRWKR 0.45
63 KFYRIRKKR 0.45
64 KFFRVRKKR 0.45
65 MFFRIRWKR 0.45
66 KPPRTRKKR 0.45
67 MPPKVRKKR 0.45
68 MIFRIRWKR 0.46
69 KIFRVRKKR 0.46
70 MPFKVRKKR 0.46
71 KPFRTRKKR 0.46
72 MFPRIRRKR 0.46
73 KFPRIRWKR 0.47
74 MIPRIRRKR 0.47
75 KIYRIRKKR 0.47
76 MFFRIRRKR 0.47
77 MPPRIRKLR 0.47
78 MPYKIRKKR 0.47
79 MIFRIRRKR 0.48
80 MFYRVRKKR 0.48
81 KFFRIRWKR 0.48
82 MPPKIRWKR 0.48
83 MPFRIRKLR 0.48
84 KFPRIRRKR 0.49
85 KPPKVRKKR 0.49
86 MPYRTRKKR 0.49
87 KIPRIRWKR 0.49
88 KPPRIRKLR 0.5
89 MIYRVRKKR 0.5
90 KIFRIRWKR 0.5
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MPPRVRRKR

2.11

-8.66

-6.55
2 MPYRVRKKR

3.05

-9.37

-6.32
3 MPYRIRKKR

3.04

-8.81

-5.77
4 MPFRVRRKR

2.94

-8.4

-5.46
5 MPPRIRWKR

2.41

-7.79

-5.38
6 KPFRIRRKR

2.97

-8.34

-5.37
7 KPPRIRWKR

2.37

-7.66

-5.29
8 KPYRIRKKR

2.71

-7.9

-5.19
9 MPYRIRWKR

2.94

-7.99

-5.05
10 KPYRVRKKR

2.92

-7.84

-4.92
11 KPFRVRWKR

3.27

-8.15

-4.88
12 KPPRVRRKR

3.34

-8.21

-4.87
13 MPPRIRKKR

3.77

-8.64

-4.87
14 MPPRVRWKR

2.39

-7.23

-4.84
15 MPFRIRWKR

3.55

-8.3

-4.75
16 MPPRVRKKR

4.27

-8.67

-4.4
17 MPFRVRKKR

4.44

-8.81

-4.37
18 MPPRIRRKR

4.44

-8.65

-4.21
19 KPPRIRRKR

2.98

-7.18

-4.2
20 MPFRIRRKR

4.37

-8.56

-4.19
21 KPFRIRKKR

3.68

-7.87

-4.19
22 KPPRVRWKR

3.02

-7.08

-4.06
23 MPYRIRRKR

4.29

-8.25

-3.96
24 KPFRIRWKR

4.27

-8.0

-3.73
25 KPPRIRKKR

4.1

-7.79

-3.69
26 MPFRVRWKR

5.13

-8.51

-3.38
27 KPYRIRWKR

4.91

-8.28

-3.37
28 MPFRIRKKR

4.17

-7.34

-3.17
29 KPPRVRKKR

3.83

-6.83

-3.0
30 KPFRVRKKR

5.75

-7.83

-2.08

 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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