Predicted ligand sequences (modelled structure)


ADAN-name: PIN3_1ZX6-7.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    

(Help)

Intraclash 1.655 ΔGbinding 1.491
TOTAL
 3.146
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.347
Van der Waals -2.693 Backbone clash 0.014
Electrostatics 0.309 Helix dipole 0.000
Solvation Polar 2.988 Water bridges -0.016
Solvation Hyd -3.771 Disulfide 0.000
VdW clashes 2.503 Electrost. Kon 0.337
Entropy sc 0.108 Part.cov.bonds 0.000
Entropy mc

1.380

 ΔGstability

8.176
       

Predicted ligand sequences for model [PIN3_1ZX6-7.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).
 
  PIN3_1ZX6-7.PDB  

(data)
# Predicted Sequences Value Calculate
1 IPPIRPLW 0.0
2 IPKIRPLW 0.04
3 IPPIRPMW 0.06
4 IPPIRRLW 0.07
5 IPRIRPLW 0.09
6 IPKIRPMW 0.1
7 IPKIRRLW 0.11
8 IPPIRRMW 0.12
9 IDPIRPLW 0.12
10 IPRIRPMW 0.14
11 IPRIRRLW 0.16
12 IDKIRPLW 0.16
13 IPKIRRMW 0.17
14 IHPIRPLW 0.17
15 IPPMRPLW 0.18
16 IDPIRPMW 0.18
17 IDPIRRLW 0.19
18 IPPIRLLW 0.21
19 IHKIRPLW 0.21
20 IDRIRPLW 0.21
21 IPRIRRMW 0.21
22 IPKMRPLW 0.22
23 IDKIRPMW 0.22
24 IHPIRPMW 0.22
25 IDKIRRLW 0.23
26 IPPMRPMW 0.24
27 IHPIRRLW 0.24
28 IPPRRPLW 0.24
29 IPPMRRLW 0.25
30 IDPIRRMW 0.25
31 IPKIRLLW 0.25
32 IHRIRPLW 0.26
33 IDRIRPMW 0.27
34 IHKIRPMW 0.27
35 IPPIRLMW 0.27
36 IPRMRPLW 0.27
37 IPKMRPMW 0.28
38 IHKIRRLW 0.28
39 IPKRRPLW 0.28
40 IDRIRRLW 0.28
41 IHPIRRMW 0.29
42 IPKMRRLW 0.29
43 IDKIRRMW 0.29
44 IPPRRPMW 0.29
45 IPRIRLLW 0.3
46 IDPMRPLW 0.3
47 IPPRRRLW 0.31
48 IPKIRLMW 0.31
49 IHRIRPMW 0.31
50 IPPMRRMW 0.31
51 YPPIRPLW 0.32
52 IHKIRRMW 0.33
53 IHRIRRLW 0.33
54 IPRMRPMW 0.33
55 IPRRRPLW 0.33
56 IDPIRLLW 0.33
57 IPRMRRLW 0.34
58 IDKMRPLW 0.34
59 IPKRRPMW 0.34
60 IDRIRRMW 0.34
61 IPKMRRMW 0.35
62 IPKRRRLW 0.35
63 IHPMRPLW 0.35
64 IDPMRPMW 0.36
65 IDPRRPLW 0.36
66 IPRIRLMW 0.36
67 WPPIRPLW 0.36
68 YPKIRPLW 0.36
69 IPPRRRMW 0.36
70 IDPMRRLW 0.37
71 IDKIRLLW 0.37
72 IPRRRPMW 0.38
73 IHRIRRMW 0.38
74 IHPIRLLW 0.38
75 YPPIRPMW 0.38
76 IPPMRLLW 0.39
77 IHKMRPLW 0.39
78 IDRMRPLW 0.39
79 YPPIRRLW 0.39
80 IDPIRLMW 0.39
81 IPRRRRLW 0.4
82 IDKRRPLW 0.4
83 IDKMRPMW 0.4
84 IPKRRRMW 0.4
85 IHPMRPMW 0.4
86 IPRMRRMW 0.4
87 WPKIRPLW 0.41
88 IDKMRRLW 0.41
89 YPRIRPLW 0.41
90 IHPRRPLW 0.41
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 IPPMRPMW

1.65

-7.74

-6.09
2 IPRIRRMW

1.83

-7.48

-5.65
3 IPRIRPMW

1.42

-6.93

-5.51
4 IPKIRRMW

1.86

-7.26

-5.4
5 IPKIRPMW

1.76

-7.1

-5.34
6 IDKIRPLW

1.45

-6.49

-5.04
7 IHPIRPMW

1.29

-6.32

-5.03
8 IDPIRPMW

1.6

-6.63

-5.03
9 IPKIRPLW

1.27

-6.18

-4.91
10 IPKMRPLW

1.21

-6.1

-4.89
11 IPPMRPLW

1.26

-6.08

-4.82
12 IDKIRPMW

1.55

-6.34

-4.79
13 IDPIRRMW

1.8

-6.56

-4.76
14 IPPIRRMW

1.79

-6.44

-4.65
15 IPRIRPLW

1.41

-6.02

-4.61
16 IPPRRPLW

1.35

-5.83

-4.48
17 IPPMRRLW

1.45

-5.84

-4.39
18 IPPIRPMW

1.58

-5.83

-4.25
19 IPKIRRLW

1.78

-6.0

-4.22
20 IPRIRRLW

1.96

-6.17

-4.21
21 IDPIRRLW

1.67

-5.86

-4.19
22 IPPIRPLW

1.4

-5.59

-4.19
23 IHPIRPLW

1.28

-5.34

-4.06
24 IPPIRLLW

1.58

-5.57

-3.99
25 IHKIRPLW

1.39

-5.37

-3.98
26 IPPIRRLW

1.61

-5.56

-3.95
27 IDPIRPLW

1.2

-5.06

-3.86
28 IHPIRRLW

1.58

-5.41

-3.83
29 IDKIRRLW

2.53

-6.35

-3.82
30 IDRIRPLW

1.51

-4.72

-3.21

 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.

  Comments or questions on the site? Send a mail to adandatabase@umh.es                                                             DISCLAIMER