Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-1.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 2.618 ΔGbinding -2.364
TOTAL
 0.254
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 1.457
Van der Waals -3.804 Backbone clash 0.142
Electrostatics -0.056 Helix dipole 0.000
Solvation Polar 3.409 Water bridges 0.000
Solvation Hyd -6.033 Disulfide 0.000
VdW clashes 1.667 Electrost. Kon -0.049
Entropy sc 0.740 Part.cov.bonds 0.000
Entropy mc

1.580

 ΔGstability

5.419
       

Predicted ligand sequences for model [PIN3_1ZX6-1.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).
 
  PIN3_1ZX6-1.PDB  

(data)
# Predicted Sequences Value Calculate
1 MRSRKPRDIR 0.0
2 MRLRKPRDIR 0.01
3 MRRRKPRDIR 0.05
4 MRLRKPREIR 0.1
5 MRSRRPRDIR 0.1
6 MRSRKPREIR 0.1
7 MRLRRPRDIR 0.11
8 MRRRKPREIR 0.14
9 MRRRRPRDIR 0.15
10 MRSRRPREIR 0.2
11 MRLRRPREIR 0.2
12 MRSRKPRDTR 0.22
13 MRLRKPRDTR 0.23
14 MRSRKPRRIR 0.24
15 MRRRRPREIR 0.24
16 MRLRKPRRIR 0.25
17 MRRRKPRDTR 0.27
18 MRSRKPRDKR 0.28
19 MRRRKPRRIR 0.29
20 MRLRKPRDKR 0.29
21 MRSRKPRDIY 0.3
22 MRLRKPRDIY 0.3
23 MRLRKPRETR 0.32
24 MRSRRPRDTR 0.32
25 MRSRKPRETR 0.32
26 MRLRRPRDTR 0.33
27 MRRRKPRDKR 0.33
28 MRSRRPRRIR 0.34
29 MRRRKPRDIY 0.34
30 MRLRRPRRIR 0.35
31 MRSRMPRDIR 0.35
32 MRLRMPRDIR 0.36
33 MRRRKPRETR 0.36
34 MRRRRPRDTR 0.37
35 MRSRKPREKR 0.38
36 MRLRRPRDKR 0.39
37 MRSRRPRDKR 0.39
38 MRRRRPRRIR 0.39
39 MRSRKPREIY 0.39
40 MRLRKPREKR 0.39
41 MRLRKPREIY 0.4
42 MRSRRPRDIY 0.4
43 MRRRMPRDIR 0.4
44 MRLRRPRDIY 0.41
45 MRLRRPRETR 0.42
46 MRSRRPRETR 0.42
47 MRRRRPRDKR 0.43
48 MRRRKPREKR 0.43
49 MRRRKPREIY 0.44
50 MRLRMPREIR 0.45
51 MRRRRPRDIY 0.45
52 MRSRMPREIR 0.45
53 MRSRKPRRTR 0.46
54 MRRRRPRETR 0.46
55 MRLRKPRRTR 0.47
56 MRSRRPREKR 0.48
57 MRRRMPREIR 0.49
58 MRLRRPREKR 0.49
59 MRSRRPREIY 0.49
60 MRLRRPREIY 0.5
61 MRRRKPRRTR 0.51
62 MRSRKPRDTY 0.52
63 MRRRRPREKR 0.53
64 MRLRKPRDTY 0.53
65 MRLRKPRRKR 0.53
66 MRSRKPRRKR 0.53
67 MRSRKPRRIY 0.54
68 MRRRRPREIY 0.54
69 MRLRKPRRIY 0.55
70 MRSRRPRRTR 0.56
71 MRRRKPRDTY 0.56
72 MRSRMPRDTR 0.57
73 MRRRKPRRKR 0.57
74 MRLRRPRRTR 0.57
75 MRLRMPRDTR 0.58
76 MRSRKPRDKY 0.58
77 MRRRKPRRIY 0.59
78 MRSRMPRRIR 0.59
79 MRLRKPRDKY 0.59
80 MRLRMPRRIR 0.6
81 MRRRRPRRTR 0.61
82 MRSRKPRETY 0.61
83 MRRRMPRDTR 0.62
84 MRLRKPRETY 0.62
85 MRSRRPRDTY 0.62
86 MRLRRPRDTY 0.63
87 MRRRKPRDKY 0.63
88 MRSRRPRRKR 0.63
89 MRLRRPRRKR 0.64
90 MRSRRPRRIY 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 MRRRKPREIR

1.71

-14.97

-13.26
2 MRSRKPREIR

1.86

-14.17

-12.31
3 MRLRKPRDIY

1.74

-13.75

-12.01
4 MRLRRPREIR

2.02

-14.02

-12.0
5 MRSRKPRDIR

2.57

-14.51

-11.94
6 MRSRRPRDIR

1.75

-13.64

-11.89
7 MRRRKPRRIR

2.15

-13.58

-11.43
8 MRLRRPRDIR

1.71

-12.99

-11.28
9 MRRRKPRDKR

2.8

-14.05

-11.25
10 MRSRKPRRIR

1.67

-12.88

-11.21
11 MRLRKPRDTR

2.04

-13.22

-11.18
12 MRSRKPRDTR

2.21

-13.34

-11.13
13 MRSRRPRDTR

1.98

-13.07

-11.09
14 MRSRKPRDIY

1.58

-12.58

-11.0
15 MRLRKPREIR

2.39

-13.15

-10.76
16 MRSRKPRETR

1.9

-12.66

-10.76
17 MRLRRPRRIR

2.42

-13.08

-10.66
18 MRSRRPREIR

1.73

-12.01

-10.28
19 MRLRKPRRIR

1.92

-12.1

-10.18
20 MRRRRPRDIR

1.85

-11.94

-10.09
21 MRLRRPRDTR

2.32

-12.35

-10.03
22 MRLRKPRDKR

2.71

-12.23

-9.52
23 MRRRKPRDTR

1.83

-11.3

-9.47
24 MRRRRPREIR

1.64

-10.94

-9.3
25 MRLRKPRETR

1.74

-10.94

-9.2
26 MRRRKPRDIY

1.42

-10.6

-9.18
27 MRSRRPRRIR

1.91

-10.93

-9.02
28 MRSRKPRDKR

2.44

-11.24

-8.8
29 MRRRKPRDIR

2.13

-10.91

-8.78
30 MRLRKPRDIR

2.0

-9.6

-7.6

 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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