Predicted ligand sequences


ADAN-name: 1YGR2.PDB (view again the scoring matrix)

PDB name: [1YGR.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT R E E y D V
position 1 2 3 4 5 6
poly-Ala 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 20.126 ΔGbinding -9.775
TOTAL
 10.351
Backbone Hb -5.288 Cis_bond 0.000
Sidechain Hb -5.850 Torsional clash 3.577
Van der Waals -8.483 Backbone clash 1.963
Electrostatics -3.924 Helix dipole -0.179
Solvation Polar 15.055 Water bridges 0.035
Solvation Hyd -9.311 Disulfide 0.000
VdW clashes 1.933 Electrost. Kon -1.777
Entropy sc 1.753 Part.cov.bonds 0.000
Entropy mc

2.684

 ΔGstability

328.521
       

Predicted ligand sequences for template [1YGR2.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).
 
  1YGR2.PDB  

(data)
# Predicted Sequences Value Calculate
1 yWFAQW 0.0
2 yWFAQY 0.02
3 yWFAFW 0.11
4 yWFAFY 0.14
5 yWIAQW 0.14
6 yWIAQY 0.16
7 yWFAWW 0.17
8 yWFAWY 0.19
9 yWRAQW 0.22
10 yWRAQY 0.25
11 yWFAQM 0.25
12 yWIAFW 0.26
13 yWIAFY 0.28
14 yWFAEW 0.3
15 yWIAWW 0.31
16 yWFAEY 0.33
17 yWIAWY 0.34
18 yWRAFW 0.34
19 yWRAFY 0.36
20 yWFAFM 0.36
21 yWRAWW 0.39
22 yWIAQM 0.39
23 YWFAQW 0.41
24 yWRAWY 0.42
25 yWFAWM 0.42
26 yWFAQE 0.42
27 YWFAQY 0.43
28 WWFAQW 0.43
29 yWIAEW 0.45
30 WWFAQY 0.45
31 yWIAEY 0.47
32 yWRAQM 0.47
33 yWIAFM 0.51
34 YWFAFW 0.52
35 yWFAFE 0.53
36 yWRAEW 0.53
37 WWFAFW 0.54
38 YWFAFY 0.54
39 yWFAEM 0.55
40 YWIAQW 0.55
41 yWRAEY 0.55
42 yWIAWM 0.56
43 yWIAQE 0.56
44 WWFAFY 0.57
45 WWIAQW 0.57
46 YWIAQY 0.57
47 YWFAWW 0.58
48 WWIAQY 0.59
49 yWRAFM 0.59
50 yWFAWE 0.59
51 YWFAWY 0.6
52 WWFAWW 0.6
53 WWFAWY 0.62
54 YWRAQW 0.63
55 yWRAWM 0.64
56 yWRAQE 0.64
57 WWRAQW 0.65
58 YWRAQY 0.65
59 YWFAQM 0.66
60 YWIAFW 0.66
61 YWIAFY 0.68
62 WWFAQM 0.68
63 WWRAQY 0.68
64 WWIAFW 0.68
65 yWIAFE 0.68
66 yWIAEM 0.7
67 YWFAEW 0.71
68 WWIAFY 0.71
69 yWFAEE 0.72
70 YWIAWW 0.72
71 yWIAWE 0.73
72 WWFAEW 0.73
73 YWFAEY 0.73
74 YWIAWY 0.74
75 YWRAFW 0.74
76 WWIAWW 0.74
77 yWRAFE 0.76
78 WWFAEY 0.76
79 YWRAFY 0.76
80 WWRAFW 0.77
81 YWFAFM 0.77
82 WWIAWY 0.77
83 yWRAEM 0.78
84 WWFAFM 0.79
85 WWRAFY 0.79
86 YWRAWW 0.8
87 YWIAQM 0.8
88 yWRAWE 0.81
89 WWIAQM 0.82
90 YWRAWY 0.82
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 yWFAQY

4.41

-7.79

-3.38
2 YWFAQY

4.63

-7.87

-3.24
3 yWFAQE

3.94

-6.71

-2.77
4 yWFAEY

4.61

-7.27

-2.66
5 yWRAQW

4.59

-7.2

-2.61
6 YWFAQW

4.17

-6.62

-2.45
7 yWFAQM

3.76

-6.21

-2.45
8 yWFAFM

4.89

-7.33

-2.44
9 yWIAQM

3.86

-6.3

-2.44
10 yWIAQY

4.67

-6.97

-2.3
11 WWFAQY

4.39

-6.68

-2.29
12 yWRAQY

4.46

-6.72

-2.26
13 yWFAWM

6.09

-8.32

-2.23
14 yWRAWY

6.52

-8.55

-2.03
15 WWFAQW

4.34

-6.36

-2.02
16 yWIAQW

4.0

-5.72

-1.72
17 yWFAFY

5.62

-7.32

-1.7
18 yWFAQW

4.83

-6.47

-1.64
19 yWFAWW

6.84

-8.45

-1.61
20 yWFAWY

6.5

-8.01

-1.51
21 yWFAEW

4.6

-6.1

-1.5
22 yWRAWW

6.57

-7.88

-1.31
23 yWIAWY

6.77

-8.07

-1.3
24 yWFAFW

5.81

-7.11

-1.3
25 yWIAFY

5.79

-7.03

-1.24
26 yWRAFY

5.77

-6.84

-1.07
27 yWRAFW

4.61

-5.62

-1.01
28 yWIAFW

5.79

-6.79

-1.0
29 yWIAWW

6.53

-7.36

-0.83
30 yWIAEW

4.52

-5.3

-0.78

 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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