Predicted ligand sequences


ADAN-name: 1FMO2.PDB (view again the scoring matrix)

PDB name: [1FMO.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT T T Y A D F I A S G R T G R R N A I H 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
 G
A
 A
G
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 11.002 ΔGbinding -34.400
TOTAL
 -23.398
Backbone Hb -7.838 Cis_bond 0.000
Sidechain Hb -14.688 Torsional clash 4.121
Van der Waals -19.403 Backbone clash 4.018
Electrostatics -14.591 Helix dipole 0.025
Solvation Polar 31.301 Water bridges -0.705
Solvation Hyd -23.191 Disulfide 0.000
VdW clashes 0.614 Electrost. Kon -4.997
Entropy sc 8.773 Part.cov.bonds 0.000
Entropy mc

6.177

 ΔGstability

82.049
       

Predicted ligand sequences for template [1FMO2.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).
 
  1FMO2.PDB  

(data)
# Predicted Sequences Value Calculate
1 TRYpMFySLRRYRRKRRFWY 0.0
2 TRYsMFySLRRYRRKRRFWY 0.03
3 DRYpMFySLRRYRRKRRFWY 0.03
4 TyYpMFySLRRYRRKRRFWY 0.04
5 TRYDMFySLRRYRRKRRFWY 0.06
6 DRYsMFySLRRYRRKRRFWY 0.06
7 TyYsMFySLRRYRRKRRFWY 0.07
8 DyYpMFySLRRYRRKRRFWY 0.07
9 DRYDMFySLRRYRRKRRFWY 0.08
10 TRYpMFRSLRRYRRKRRFWY 0.09
11 TyYDMFySLRRYRRKRRFWY 0.1
12 DyYsMFySLRRYRRKRRFWY 0.1
13 TRYpMFySLKRYRRKRRFWY 0.1
14 TRYpMFyRLRRYRRKRRFWY 0.11
15 DyYDMFySLRRYRRKRRFWY 0.12
16 TRYsMFRSLRRYRRKRRFWY 0.12
17 DRYpMFRSLRRYRRKRRFWY 0.12
18 TRYsMFySLKRYRRKRRFWY 0.13
19 DRYpMFySLKRYRRKRRFWY 0.13
20 TRYpMFySLRRYRRKRRFWW 0.13
21 TyYpMFRSLRRYRRKRRFWY 0.13
22 TRYpMFyKLRRYRRKRRFWY 0.13
23 TRYsMFyRLRRYRRKRRFWY 0.14
24 TyYpMFySLKRYRRKRRFWY 0.14
25 DRYpMFyRLRRYRRKRRFWY 0.14
26 TRYDMFRSLRRYRRKRRFWY 0.15
27 DRYsMFRSLRRYRRKRRFWY 0.15
28 TyYpMFyRLRRYRRKRRFWY 0.15
29 DRYpMFyKLRRYRRKRRFWY 0.16
30 DRYsMFySLKRYRRKRRFWY 0.16
31 TRYsMFySLRRYRRKRRFWW 0.16
32 TRYsMFyKLRRYRRKRRFWY 0.16
33 TyYsMFRSLRRYRRKRRFWY 0.16
34 TRYDMFySLKRYRRKRRFWY 0.16
35 DRYpMFySLRRYRRKRRFWW 0.16
36 DyYpMFRSLRRYRRKRRFWY 0.16
37 TRYDMFyRLRRYRRKRRFWY 0.17
38 TyYpMFyKLRRYRRKRRFWY 0.17
39 DRYsMFyRLRRYRRKRRFWY 0.17
40 TyYsMFySLKRYRRKRRFWY 0.17
41 TyYpMFySLRRYRRKRRFWW 0.17
42 TRYpMFySLFRYRRKRRFWY 0.17
43 DRYDMFRSLRRYRRKRRFWY 0.17
44 DyYpMFySLKRYRRKRRFWY 0.17
45 DRYDMFySLKRYRRKRRFWY 0.18
46 DyYpMFyRLRRYRRKRRFWY 0.18
47 TRYDMFySLRRYRRKRRFWW 0.19
48 DRYsMFySLRRYRRKRRFWW 0.19
49 TRYDMFyKLRRYRRKRRFWY 0.19
50 TRYpMFRSLKRYRRKRRFWY 0.19
51 TyYsMFyRLRRYRRKRRFWY 0.19
52 DRYsMFyKLRRYRRKRRFWY 0.19
53 TyYDMFRSLRRYRRKRRFWY 0.19
54 DyYsMFRSLRRYRRKRRFWY 0.19
55 TyYsMFyKLRRYRRKRRFWY 0.2
56 TyYDMFySLKRYRRKRRFWY 0.2
57 DRYpMFySLFRYRRKRRFWY 0.2
58 DyYpMFyKLRRYRRKRRFWY 0.2
59 DyYpMFySLRRYRRKRRFWW 0.2
60 TyYsMFySLRRYRRKRRFWW 0.2
61 DRYDMFyRLRRYRRKRRFWY 0.2
62 TWYpMFySLRRYRRKRRFWY 0.2
63 DyYsMFySLKRYRRKRRFWY 0.2
64 TRYpMFRRLRRYRRKRRFWY 0.21
65 TyYDMFyRLRRYRRKRRFWY 0.21
66 TRYpMFyRLKRYRRKRRFWY 0.21
67 TRYsMFySLFRYRRKRRFWY 0.21
68 DyYsMFyRLRRYRRKRRFWY 0.21
69 DyYDMFySLKRYRRKRRFWY 0.22
70 TRYpMFySLRRYRRKRMFWY 0.22
71 DRYDMFyKLRRYRRKRRFWY 0.22
72 DyYDMFRSLRRYRRKRRFWY 0.22
73 DRYDMFySLRRYRRKRRFWW 0.22
74 TRYpLFySLRRYRRKRRFWY 0.22
75 TyYpMFySLFRYRRKRRFWY 0.22
76 TRYsMFRSLKRYRRKRRFWY 0.22
77 DRYpMFRSLKRYRRKRRFWY 0.22
78 TRYpMFRKLRRYRRKRRFWY 0.22
79 TRYpMFRSLRRYRRKRRFWW 0.22
80 TRYpMFySLKRYRRKRRFWW 0.23
81 TyYDMFySLRRYRRKRRFWW 0.23
82 DyYsMFySLRRYRRKRRFWW 0.23
83 TRYDMFySLFRYRRKRRFWY 0.23
84 DWYpMFySLRRYRRKRRFWY 0.23
85 TRYpMFySRRRYRRKRRFWY 0.23
86 DRYpMFRRLRRYRRKRRFWY 0.23
87 TyYpMFRSLKRYRRKRRFWY 0.23
88 DyYsMFyKLRRYRRKRRFWY 0.23
89 TRYpMFyKLKRYRRKRRFWY 0.23
90 DRYsMFySLFRYRRKRRFWY 0.23
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 DRYDMFySLRRYRRKRRFWY

11.38

-41.89

-30.51
2 TyYDMFySLRRYRRKRRFWY

11.08

-39.37

-28.29
3 TRYsMFySLKRYRRKRRFWY

10.41

-38.25

-27.84
4 TRYsMFySLRRYRRKRRFWY

10.96

-38.68

-27.72
5 DRYsMFySLKRYRRKRRFWY

12.51

-39.98

-27.47
6 DRYpMFyKLRRYRRKRRFWY

12.4

-39.86

-27.46
7 TyYsMFySLRRYRRKRRFWY

10.03

-37.12

-27.09
8 DRYsMFySLRRYRRKRRFWY

11.64

-38.34

-26.7
9 TyYpMFySLRRYRRKRRFWY

10.77

-37.39

-26.62
10 TRYpMFyRLRRYRRKRRFWY

11.93

-38.35

-26.42
11 DyYDMFySLRRYRRKRRFWY

12.32

-38.69

-26.37
12 TyYpMFRSLRRYRRKRRFWY

11.2

-36.84

-25.64
13 DRYpMFRSLRRYRRKRRFWY

11.98

-37.19

-25.21
14 TRYpMFRSLRRYRRKRRFWY

14.07

-39.18

-25.11
15 DRYsMFRSLRRYRRKRRFWY

11.44

-36.48

-25.04
16 TRYsMFyRLRRYRRKRRFWY

12.45

-37.38

-24.93
17 DyYsMFySLRRYRRKRRFWY

12.8

-37.7

-24.9
18 TRYDMFySLRRYRRKRRFWY

12.72

-37.6

-24.88
19 DRYpMFySLRRYRRKRRFWY

13.01

-37.66

-24.65
20 TRYpMFySLKRYRRKRRFWY

12.54

-36.98

-24.44
21 TRYpMFySLRRYRRKRRFWY

10.88

-35.23

-24.35
22 DRYpMFyRLRRYRRKRRFWY

12.8

-36.95

-24.15
23 TRYpMFyKLRRYRRKRRFWY

12.91

-36.99

-24.08
24 TRYDMFRSLRRYRRKRRFWY

11.54

-35.56

-24.02
25 TyYpMFyRLRRYRRKRRFWY

12.81

-36.71

-23.9
26 DyYpMFySLRRYRRKRRFWY

12.72

-36.4

-23.68
27 TyYpMFySLKRYRRKRRFWY

12.34

-34.99

-22.65
28 DRYpMFySLKRYRRKRRFWY

13.33

-35.2

-21.87
29 TRYsMFRSLRRYRRKRRFWY

10.6

-31.3

-20.7
30 TRYpMFySLRRYRRKRRFWW

12.81

-32.19

-19.38

 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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