Predicted ligand sequences (modelled structure)


ADAN-name: BZZ1-D2_1ZUU-23.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7
poly-Ala 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 4.909 ΔGbinding -0.182
TOTAL
 4.727
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.356
Van der Waals -2.823 Backbone clash 0.009
Electrostatics -0.130 Helix dipole 0.000
Solvation Polar 3.053 Water bridges -0.026
Solvation Hyd -3.756 Disulfide 0.000
VdW clashes 2.119 Electrost. Kon -0.143
Entropy sc 0.506 Part.cov.bonds 0.000
Entropy mc

1.938

 ΔGstability

40.192
       

Predicted ligand sequences for model [BZZ1-D2_1ZUU-23.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).
 
  BZZ1-D2_1ZUU-23.PDB  

(data)
# Predicted Sequences Value Calculate
1 RPRMPRE 0.0
2 RRRMPRE 0.1
3 RPRMPRP 0.14
4 RPRMRRE 0.2
5 RKRMPRE 0.2
6 KPRMPRE 0.22
7 RRRMPRP 0.24
8 RPRRPRE 0.26
9 RRRMRRE 0.3
10 KRRMPRE 0.33
11 RPRMRRP 0.33
12 RKRMPRP 0.33
13 RPRMERE 0.36
14 KPRMPRP 0.36
15 RRRRPRE 0.36
16 RPRGPRE 0.37
17 RPRRPRP 0.39
18 RKRMRRE 0.39
19 KPRMRRE 0.42
20 KKRMPRE 0.42
21 RPRMPRY 0.42
22 RRRMRRP 0.44
23 RKRRPRE 0.45
24 RPRRRRE 0.45
25 RRRMERE 0.46
26 KRRMPRP 0.46
27 RRRGPRE 0.47
28 KPRRPRE 0.48
29 SPRMPRE 0.49
30 RPRMERP 0.5
31 RRRRPRP 0.5
32 RPRGPRP 0.51
33 KRRMRRE 0.52
34 RKRMRRP 0.53
35 RRRMPRY 0.53
36 KKRMPRP 0.55
37 RKRMERE 0.55
38 RRRRRRE 0.56
39 KPRMRRP 0.56
40 RKRGPRE 0.56
41 RPRGRRE 0.57
42 KRRRPRE 0.58
43 KPRMERE 0.58
44 RKRRPRP 0.59
45 RPRRRRP 0.59
46 SRRMPRE 0.59
47 KPRGPRE 0.59
48 RRRMERP 0.6
49 KKRMRRE 0.61
50 RRRGPRP 0.61
51 KPRRPRP 0.62
52 SPRMPRP 0.62
53 RPRRERE 0.62
54 RPRMRRY 0.62
55 RKRMPRY 0.62
56 KPRMPRY 0.64
57 RKRRRRE 0.65
58 KRRMRRP 0.66
59 RRRGRRE 0.67
60 KKRRPRE 0.67
61 KPRRRRE 0.68
62 SKRMPRE 0.68
63 RPRRPRY 0.68
64 KRRMERE 0.69
65 SPRMRRE 0.69
66 RKRMERP 0.69
67 RPRGRRP 0.7
68 RRRRRRP 0.7
69 KRRGPRE 0.7
70 RKRGPRP 0.7
71 RRRMRRY 0.72
72 KRRRPRP 0.72
73 RRRRERE 0.72
74 KPRMERP 0.72
75 SRRMPRP 0.73
76 RPRGERE 0.73
77 KPRGPRP 0.73
78 SPRRPRE 0.74
79 KKRMRRP 0.75
80 KRRMPRY 0.75
81 RPRRERP 0.75
82 RKRGRRE 0.76
83 RPRMERY 0.78
84 KRRRRRE 0.78
85 RRRRPRY 0.78
86 KKRMERE 0.78
87 RKRRRRP 0.79
88 RPRGPRY 0.79
89 SRRMRRE 0.79
90 KKRGPRE 0.79
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 KPRMPRP

4.57

-4.62

-0.05
2 KRRMPRP

6.15

-6.1

0.05
3 RRRMRRP

5.06

-4.78

0.28
4 RPRMPRP

7.63

-7.14

0.49
5 RRRMPRP

5.55

-4.01

1.54
6 RPRMRRP

5.58

-4.02

1.56
7 RRRGPRE

5.04

-3.3

1.74
8 RRRMRRE

5.53

-3.78

1.75
9 RKRMPRP

4.92

-3.11

1.81
10 KRRMPRE

5.26

-3.33

1.93
11 KKRMPRE

5.55

-3.58

1.97
12 RPRMERP

5.68

-3.64

2.04
13 RRRRPRE

5.93

-3.84

2.09
14 RKRMRRE

5.51

-3.28

2.23
15 RRRMPRE

5.34

-3.07

2.27
16 RRRMERE

5.7

-3.42

2.28
17 RPRMRRE

6.07

-3.69

2.38
18 RPRMPRE

5.45

-2.86

2.59
19 RPRMERE

6.34

-3.54

2.8
20 KPRMPRE

5.67

-2.8

2.87
21 RKRMPRE

6.31

-3.29

3.02
22 RPRRPRE

8.38

-5.28

3.1
23 KPRMRRE

6.76

-3.65

3.11
24 RPRMPRY

6.25

-3.11

3.14
25 SPRMPRE

5.17

-1.43

3.74
26 RPRGPRE

6.75

-2.91

3.84
27 RKRRPRE

6.32

-1.94

4.38
28 RPRRRRE

6.31

-1.71

4.6
29 RPRRPRP

6.04

-1.43

4.61
30 KPRRPRE

7.13

-1.78

5.35

 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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