Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1OOT-17.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9
poly-Ala A A
A
A
 A
G
 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 1.515 ΔGbinding 0.388
TOTAL
 1.903
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.729
Van der Waals -4.209 Backbone clash 0.075
Electrostatics 0.308 Helix dipole 0.000
Solvation Polar 4.012 Water bridges 0.015
Solvation Hyd -6.255 Disulfide 0.000
VdW clashes 0.793 Electrost. Kon 0.346
Entropy sc 0.569 Part.cov.bonds 0.000
Entropy mc

4.079

 ΔGstability

24.691
       

Predicted ligand sequences for model [YSC84_1OOT-17.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).
 
  YSC84_1OOT-17.PDB  

(data)
# Predicted Sequences Value Calculate
1 LPYMRGHNR 0.0
2 LPFMRGHNR 0.01
3 LDYMRGHNR 0.03
4 LPWMRGHNR 0.04
5 LDFMRGHNR 0.04
6 LIYMRGHNR 0.04
7 LIFMRGHNR 0.05
8 LDWMRGHNR 0.07
9 MPYMRGHNR 0.07
10 LIWMRGHNR 0.08
11 LPYMMGHNR 0.08
12 MPFMRGHNR 0.08
13 LPYMFGHNR 0.08
14 LPFMFGHNR 0.09
15 LPFMMGHNR 0.09
16 MDYMRGHNR 0.1
17 LDYMMGHNR 0.11
18 LIYMMGHNR 0.11
19 MDFMRGHNR 0.11
20 LDYMFGHNR 0.11
21 MIYMRGHNR 0.11
22 MPWMRGHNR 0.11
23 LIYMFGHNR 0.12
24 LDFMFGHNR 0.12
25 MIFMRGHNR 0.12
26 LDFMMGHNR 0.12
27 LPWMMGHNR 0.12
28 LPWMFGHNR 0.12
29 LIFMMGHNR 0.13
30 LIFMFGHNR 0.13
31 MDWMRGHNR 0.14
32 MPYMFGHNR 0.15
33 MPYMMGHNR 0.15
34 MIWMRGHNR 0.15
35 LDWMFGHNR 0.15
36 LDWMMGHNR 0.15
37 LIWMMGHNR 0.16
38 MPFMMGHNR 0.16
39 MPFMFGHNR 0.16
40 LIWMFGHNR 0.16
41 LPYMRGRNR 0.17
42 MIYMMGHNR 0.18
43 MDYMMGHNR 0.18
44 MDYMFGHNR 0.18
45 LPFMRGRNR 0.18
46 MDFMMGHNR 0.19
47 MIYMFGHNR 0.19
48 MPWMMGHNR 0.19
49 MDFMFGHNR 0.19
50 MIFMMGHNR 0.2
51 MIFMFGHNR 0.2
52 LDYMRGRNR 0.2
53 MPWMFGHNR 0.2
54 LDFMRGRNR 0.21
55 LIYMRGRNR 0.21
56 MDWMMGHNR 0.22
57 LPWMRGRNR 0.22
58 LIFMRGRNR 0.22
59 MDWMFGHNR 0.22
60 MIWMFGHNR 0.23
61 MIWMMGHNR 0.23
62 MPYMRGRNR 0.24
63 LPYMRGMNR 0.24
64 LDWMRGRNR 0.24
65 LPFMRGMNR 0.25
66 LPYMMGRNR 0.25
67 KPYMRGHNR 0.25
68 LIWMRGRNR 0.25
69 MPFMRGRNR 0.26
70 KPFMRGHNR 0.26
71 LPFMMGRNR 0.26
72 LPYMFGRNR 0.26
73 LDYMRGMNR 0.27
74 LIYMRGMNR 0.27
75 MDYMRGRNR 0.27
76 LPFMFGRNR 0.27
77 LIFMRGMNR 0.28
78 MIYMRGRNR 0.28
79 KDYMRGHNR 0.28
80 LPWMRGMNR 0.28
81 LDFMRGMNR 0.28
82 MDFMRGRNR 0.28
83 LDYMMGRNR 0.28
84 KPWMRGHNR 0.29
85 LIYMFGRNR 0.29
86 LDYMFGRNR 0.29
87 MPWMRGRNR 0.29
88 LIYMMGRNR 0.29
89 MIFMRGRNR 0.29
90 KDFMRGHNR 0.29
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MPFMRGHNR

2.35

-9.31

-6.96
2 LPFMMGHNR

2.52

-9.09

-6.57
3 LPWMFGHNR

2.45

-9.01

-6.56
4 LPFMRGHNR

2.5

-8.82

-6.32
5 LPYMMGHNR

2.55

-8.65

-6.1
6 MPWMRGHNR

1.88

-7.98

-6.1
7 LDYMMGHNR

2.99

-9.08

-6.09
8 LPYMRGHNR

2.05

-8.11

-6.06
9 LPYMFGHNR

2.74

-8.75

-6.01
10 LDFMRGHNR

2.99

-8.98

-5.99
11 LPFMFGHNR

2.25

-8.21

-5.96
12 LIYMRGHNR

2.86

-8.57

-5.71
13 MDFMRGHNR

2.9

-8.49

-5.59
14 LPWMMGHNR

2.54

-8.03

-5.49
15 LDYMFGHNR

2.68

-8.16

-5.48
16 MIYMRGHNR

4.02

-9.46

-5.44
17 LIFMRGHNR

3.88

-9.31

-5.43
18 MIFMRGHNR

4.51

-9.68

-5.17
19 MPYMRGHNR

4.49

-9.45

-4.96
20 LIWMRGHNR

2.98

-7.92

-4.94
21 MDYMRGHNR

2.21

-7.14

-4.93
22 LDFMMGHNR

2.63

-7.53

-4.9
23 LDFMFGHNR

2.73

-7.51

-4.78
24 LDYMRGHNR

3.48

-8.21

-4.73
25 LDWMRGHNR

2.82

-7.52

-4.7
26 LIYMMGHNR

4.09

-8.66

-4.57
27 LIYMFGHNR

2.83

-7.08

-4.25
28 LIFMFGHNR

2.9

-7.01

-4.11
29 LPWMRGHNR

1.7

-5.1

-3.4
30 LIFMMGHNR

3.99

-6.61

-2.62

 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