Predicted ligand sequences


ADAN-name: 1I3Z2.PDB (view again the scoring matrix)

PDB name: [1I3Z.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT S L T I y A Q V Q K
position 1 2 3 4 5 6 7 8 9 10
poly-Ala A
A
A
 A
y
 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 5.919 ΔGbinding -16.590
TOTAL
 -10.671
Backbone Hb -9.870 Cis_bond 0.000
Sidechain Hb -12.030 Torsional clash 0.740
Van der Waals -19.420 Backbone clash 1.590
Electrostatics -5.010 Helix dipole -0.070
Solvation Polar 30.190 Water bridges -1.070
Solvation Hyd -22.570 Disulfide 0.000
VdW clashes 4.210 Electrost. Kon -1.270
Entropy sc 9.200 Part.cov.bonds 0.000
Entropy mc

10.380

 ΔGstability

246.630
       

Predicted ligand sequences for template [1I3Z2.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).
 
  1I3Z2.PDB  

(data)
# Predicted Sequences Value Calculate
1 FyTMyyKLRQ 0.0
2 FyTMyyKLRG 0.01
3 FyTMyyMLRQ 0.02
4 FyTMyyMLRG 0.04
5 FyTLyyKLRQ 0.07
6 FyTMyyLLRQ 0.08
7 MyTMyyKLRQ 0.08
8 FyTMyMKLRQ 0.08
9 FyTMyyKLSQ 0.08
10 FyTLyyKLRG 0.08
11 FyTMyMKLRG 0.09
12 IyTMyyKLRQ 0.09
13 FyTMyyLLRG 0.09
14 MyTMyyKLRG 0.09
15 FyTMyyKLRA 0.09
16 FyTLyyMLRQ 0.1
17 FyTMyyKLSG 0.1
18 MyTMyyMLRQ 0.1
19 IyTMyyKLRG 0.1
20 IyTMyyMLRQ 0.11
21 FyTLyyMLRG 0.11
22 MyTMyyMLRG 0.11
23 FyTMyyMLSQ 0.11
24 FyTMyMMLRQ 0.11
25 IyTMyyMLRG 0.12
26 FyTMyyMLSG 0.12
27 FyTMyyMLRA 0.12
28 FyTMyMMLRG 0.12
29 FyTMyLKLRQ 0.13
30 FyTMyLKLRG 0.14
31 MyTLyyKLRQ 0.15
32 FyTLyMKLRQ 0.15
33 FyTLyyKLSQ 0.15
34 FyTLyyLLRQ 0.15
35 FyTMyMKLSQ 0.16
36 MyTLyyKLRG 0.16
37 FyTMyLMLRQ 0.16
38 IyTMyyLLRQ 0.16
39 MyTMyyKLSQ 0.16
40 IyTLyyKLRQ 0.16
41 MyTMyMKLRQ 0.16
42 FyTMyMLLRQ 0.16
43 FyTMyyLLSQ 0.16
44 FyTLyyKLRA 0.16
45 FyTMyyKLQQ 0.16
46 MyTMyyLLRQ 0.16
47 FyTLyyLLRG 0.16
48 FyTMyLMLRG 0.17
49 FyTMyMKLRA 0.17
50 IyTMyyKLSQ 0.17
51 FyTLyMKLRG 0.17
52 IyTLyyKLRG 0.17
53 MyTMyMKLRG 0.17
54 FyTMyMLLRG 0.17
55 FyTMyyLLRA 0.17
56 MyTMyyKLRA 0.17
57 FyTMyyLLSG 0.17
58 FyTMyyKLSA 0.17
59 MyTMyyKLSG 0.17
60 IyTMyMKLRQ 0.17
61 FyTLyyKLSG 0.17
62 FyTMyyKLQG 0.17
63 MyTMyyLLRG 0.17
64 MyTLyyMLRQ 0.17
65 FyTMyMKLSG 0.18
66 IyTMyyKLRA 0.18
67 IyTMyyLLRG 0.18
68 FyTLyMMLRQ 0.18
69 FyTLyyMLSQ 0.18
70 IyTLyyMLRQ 0.18
71 FyTMyyMLQQ 0.18
72 IyTMyMKLRG 0.18
73 IyTMyyKLSG 0.18
74 MyTMyyMLSQ 0.18
75 MyTMyMMLRQ 0.18
76 IyTMyyMLSQ 0.19
77 FyTLyMMLRG 0.19
78 FyTLyyMLSG 0.19
79 FyTLyyMLRA 0.19
80 IyTLyyMLRG 0.19
81 IyTMyMMLRQ 0.19
82 MyTMyyMLRA 0.19
83 MyTMyMMLRG 0.19
84 FyTMyMMLSQ 0.19
85 MyTLyyMLRG 0.19
86 IyTMyyMLRA 0.2
87 IyTMyyMLSG 0.2
88 FyTMyyMLQG 0.2
89 FyTLyLKLRQ 0.2
90 IyTMyMMLRG 0.2
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 FyTLyyKLRG

5.97

-25.71

-19.74
2 IyTMyyMLRQ

6.1

-25.33

-19.23
3 FyTMyMMLRG

5.95

-24.85

-18.9
4 IyTMyyKLRQ

6.91

-25.33

-18.42
5 FyTMyMKLRQ

5.96

-23.92

-17.96
6 FyTMyyMLSG

6.66

-24.57

-17.91
7 FyTMyyKLSG

5.67

-23.47

-17.8
8 IyTMyyKLRG

5.96

-23.43

-17.47
9 FyTMyMMLRQ

5.85

-23.09

-17.24
10 IyTMyyMLRG

6.29

-23.52

-17.23
11 FyTMyyKLRA

7.18

-24.21

-17.03
12 FyTMyLKLRQ

5.73

-22.36

-16.63
13 FyTMyyKLRG

6.04

-22.56

-16.52
14 MyTMyyMLRG

6.12

-22.6

-16.48
15 MyTMyyKLRQ

7.16

-23.46

-16.3
16 FyTMyyMLRG

7.04

-23.17

-16.13
17 MyTMyyMLRQ

6.87

-23.0

-16.13
18 FyTLyyMLRG

6.77

-22.83

-16.06
19 MyTMyyKLRG

7.12

-22.58

-15.46
20 FyTMyyMLSQ

4.58

-19.48

-14.9
21 FyTLyyMLRQ

5.01

-19.17

-14.16
22 FyTMyLKLRG

4.75

-18.55

-13.8
23 FyTMyyLLRQ

4.78

-18.44

-13.66
24 FyTMyyKLRQ

5.16

-18.57

-13.41
25 FyTMyMKLRG

5.1

-18.47

-13.37
26 FyTLyyKLRQ

5.59

-18.41

-12.82
27 FyTMyyMLRQ

4.82

-17.46

-12.64
28 FyTMyyMLRA

6.24

-18.67

-12.43
29 FyTMyyKLSQ

4.68

-17.1

-12.42
30 FyTMyyLLRG

5.94

-17.51

-11.57

 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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