Predicted ligand sequences


ADAN-name: 1I7W2.PDB (view again the scoring matrix)

PDB name: [1I7W.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT L K A A D S D P T A P P Y D S L L V F D
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala A
A
A
A
 A
A
A
 A A
A
 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 3.459 ΔGbinding -32.151
TOTAL
 -28.692
Backbone Hb -10.075 Cis_bond 0.000
Sidechain Hb -14.525 Torsional clash 1.091
Van der Waals -16.110 Backbone clash 1.940
Electrostatics -9.408 Helix dipole 0.009
Solvation Polar 26.422 Water bridges -0.401
Solvation Hyd -18.770 Disulfide 0.000
VdW clashes 0.969 Electrost. Kon -4.996
Entropy sc 7.821 Part.cov.bonds 0.000
Entropy mc

5.822

 ΔGstability

-120.557
       

Predicted ligand sequences for template [1I7W2.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).
 
  1I7W2.PDB  

(data)
# Predicted Sequences Value Calculate
1 WDRAEEDDYDMPsEEKMVsR 0.0
2 WDRAEEDDYDMPsEELMVsR 0.03
3 WDRAEEDEYDMPsEEKMVsR 0.03
4 WDRAEEDDYDMPsEEKMVDR 0.05
5 WDRAEEDEYDMPsEELMVsR 0.06
6 WDRAEEDEYDMPsEEKMVDR 0.08
7 WDRAEEDDYDMPsEELMVDR 0.08
8 WDRADEDDYDMPsEEKMVsR 0.1
9 WDRAEDDDYDMPsEEKMVsR 0.11
10 WDRAEEDEYDMPsEELMVDR 0.11
11 WNRAEEDDYDMPsEEKMVsR 0.12
12 WDRAEDDDYDMPsEELMVsR 0.13
13 WDRAEDDEYDMPsEEKMVsR 0.13
14 WDRADEDDYDMPsEELMVsR 0.13
15 WDRADEDEYDMPsEEKMVsR 0.13
16 WDRAFEDDYDMPsEEKMVsR 0.14
17 WNRAEEDEYDMPsEEKMVsR 0.15
18 WDRAEEDDYDMPsEEKMVSR 0.15
19 WNRAEEDDYDMPsEELMVsR 0.15
20 WDRAEDDEYDMPsEELMVsR 0.16
21 WDRADEDDYDMPsEEKMVDR 0.16
22 WDRAEDDDYDMPsEEKMVDR 0.16
23 WDRAEEDDYDMPsEEKMTsR 0.16
24 WDRADEDEYDMPsEELMVsR 0.16
25 WNRAEEDDYDMPsEEKMVDR 0.17
26 WDRAFEDDYDMPsEELMVsR 0.17
27 WDRAFEDEYDMPsEEKMVsR 0.17
28 WNRAEEDEYDMPsEELMVsR 0.17
29 WDRADEDDYDMPsEELMVDR 0.18
30 WDRAEEDDYDMPsEELMVSR 0.18
31 WDRADEDEYDMPsEEKMVDR 0.18
32 WERAEEDDYDMPsEEKMVsR 0.18
33 WDRAEEDEYDMPsEEKMVSR 0.18
34 WDRAEDDDYDMPsEELMVDR 0.19
35 WDRAEEDDYDMPsEEMMVsR 0.19
36 WDRAEpDDYDMPsEEKMVsR 0.19
37 WDRAEEDEYDMPsEEKMTsR 0.19
38 WDRAEEDDYDMPsEELMTsR 0.19
39 WDRAFEDDYDMPsEEKMVDR 0.19
40 WDRAEDDEYDMPsEEKMVDR 0.19
41 WNRAEEDDYDMPsEELMVDR 0.2
42 WDRAFEDEYDMPsEELMVsR 0.2
43 WNRAEEDEYDMPsEEKMVDR 0.2
44 WDRAEpDEYDMPsEEKMVsR 0.21
45 WERAEEDDYDMPsEELMVsR 0.21
46 WDRAEEDEYDMPsEELMVSR 0.21
47 WDRADEDEYDMPsEELMVDR 0.21
48 WERAEEDEYDMPsEEKMVsR 0.21
49 WDRADDDDYDMPsEEKMVsR 0.21
50 WDRAEpDDYDMPsEELMVsR 0.21
51 WDRAEEDDYDMPsEEKMDsR 0.22
52 WNRAEDDDYDMPsEEKMVsR 0.22
53 WDRAFEDDYDMPsEELMVDR 0.22
54 WNRADEDDYDMPsEEKMVsR 0.22
55 WDRAEEDEYDMPsEEMMVsR 0.22
56 WDRAFEDEYDMPsEEKMVDR 0.22
57 WDRAEDDEYDMPsEELMVDR 0.22
58 WDRAEEDDYDMPsEEKMTDR 0.22
59 WDRAEEDEYDMPsEELMTsR 0.22
60 WERAEEDDYDMPsEEKMVDR 0.23
61 WNRAEEDEYDMPsEELMVDR 0.23
62 WERAEEDEYDMPsEELMVsR 0.23
63 WDRAEEDDYDMPsEEMMVDR 0.24
64 WDRAEpDEYDMPsEELMVsR 0.24
65 WDRAEEDDYDMPsEELMTDR 0.24
66 WDRAEpDDYDMPsEEKMVDR 0.24
67 WDRAEEDDYDPPsEEKMVsR 0.24
68 WDRADDDEYDMPsEEKMVsR 0.24
69 WDRADDDDYDMPsEELMVsR 0.24
70 WDRAEEDEYDMPsEEKMTDR 0.24
71 WNRAEDDEYDMPsEEKMVsR 0.25
72 WNRADEDDYDMPsEELMVsR 0.25
73 WNRAEDDDYDMPsEELMVsR 0.25
74 WDRAFDDDYDMPsEEKMVsR 0.25
75 WNRADEDEYDMPsEEKMVsR 0.25
76 WDRAEEDDYDMPsEELMDsR 0.25
77 WDRAEEDEYDMPsEEKMDsR 0.25
78 WDRAFEDEYDMPsEELMVDR 0.25
79 WDRAEEDDYDMPsEEKMVsK 0.25
80 WDRADDDDYDMPsEEKMVDR 0.26
81 WERAEEDDYDMPsEELMVDR 0.26
82 WDRAEDDDYDMPsEEKMVSR 0.26
83 WNRAFEDDYDMPsEEKMVsR 0.26
84 WERAEEDEYDMPsEEKMVDR 0.26
85 WDRAEEDDYDMPsEEKMVsD 0.26
86 WDRADEDDYDMPsEEKMVSR 0.26
87 WDRAEDDDYDMPsEEKMTsR 0.27
88 WDRAEEDEYDMPsEELMTDR 0.27
89 WDRAEEDEYDPPsEEKMVsR 0.27
90 WDRAEEDDYDMPsEEKMDDR 0.27
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WDRADEDEYDMPsEEKMVsR

3.55

-41.7

-38.15
2 WDRAEEDEYDMPsEELMVsR

4.35

-42.35

-38.0
3 WDRAFEDEYDMPsEEKMVsR

4.14

-41.79

-37.65
4 WDRAEEDDYDMPsEEKMTsR

4.03

-41.39

-37.36
5 WDRAEDDDYDMPsEEKMVDR

3.45

-40.16

-36.71
6 WDRAEEDDYDMPsEELMVDR

4.07

-40.51

-36.44
7 WNRAEEDEYDMPsEELMVsR

4.34

-40.76

-36.42
8 WDRAEEDDYDMPsEEKMVSR

3.59

-39.8

-36.21
9 WDRAEDDEYDMPsEEKMVsR

3.85

-40.01

-36.16
10 WDRAFEDDYDMPsEELMVsR

3.87

-39.97

-36.1
11 WDRADEDEYDMPsEELMVsR

3.67

-39.74

-36.07
12 WDRAEDDEYDMPsEELMVsR

3.93

-39.82

-35.89
13 WDRAEEDDYDMPsEEKMVDR

4.03

-39.85

-35.82
14 WDRADEDDYDMPsEEKMVDR

3.29

-38.86

-35.57
15 WDRAEEDDYDMPsEELMVsR

3.84

-39.3

-35.46
16 WDRAEDDDYDMPsEELMVsR

4.14

-39.58

-35.44
17 WDRAEEDEYDMPsEEKMVsR

4.02

-39.2

-35.18
18 WDRADEDDYDMPsEEKMVsR

3.9

-38.89

-34.99
19 WDRADEDDYDMPsEELMVsR

3.63

-38.59

-34.96
20 WNRAEEDDYDMPsEELMVsR

4.19

-39.14

-34.95
21 WDRAEEDDYDMPsEELMVSR

4.1

-39.05

-34.95
22 WDRAFEDDYDMPsEEKMVsR

3.51

-38.03

-34.52
23 WDRADEDDYDMPsEELMVDR

3.75

-38.17

-34.42
24 WNRAEEDEYDMPsEEKMVsR

3.93

-38.33

-34.4
25 WDRAEDDDYDMPsEEKMVsR

3.65

-38.03

-34.38
26 WNRAEEDDYDMPsEEKMVsR

4.03

-38.03

-34.0
27 WDRAEEDDYDMPsEEKMVsR

3.59

-37.46

-33.87
28 WNRAEEDDYDMPsEEKMVDR

3.67

-37.49

-33.82
29 WDRAEEDEYDMPsEELMVDR

3.52

-36.0

-32.48
30 WDRAEEDEYDMPsEEKMVDR

3.7

-35.72

-32.02

 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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