Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_2A08-25.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
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 1.689 ΔGbinding 5.530
TOTAL
 7.219
Backbone Hb -1.275 Cis_bond 0.000
Sidechain Hb -1.275 Torsional clash 0.488
Van der Waals -3.657 Backbone clash 0.301
Electrostatics 0.190 Helix dipole 0.000
Solvation Polar 4.135 Water bridges -0.066
Solvation Hyd -4.942 Disulfide 0.000
VdW clashes 8.150 Electrost. Kon 0.232
Entropy sc 0.666 Part.cov.bonds 0.000
Entropy mc

2.883

 ΔGstability

17.973
       

Predicted ligand sequences for model [YSC84_2A08-25.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_2A08-25.PDB  

(data)
# Predicted Sequences Value Calculate
1 RREPRPKRN 0.0
2 RREPRGKRN 0.01
3 RREPRPKAN 0.07
4 RREPRGKAN 0.08
5 RREPRPRRN 0.09
6 RREPRPERN 0.11
7 RREPRGRRN 0.11
8 RREPMPKRN 0.11
9 RREPRGERN 0.12
10 RREPMGKRN 0.13
11 RREPRPRAN 0.16
12 DREPRPKRN 0.17
13 RREPMPKAN 0.18
14 RREPRGRAN 0.18
15 RREPRPEAN 0.18
16 KREPRPKRN 0.18
17 DREPRGKRN 0.18
18 RREPRGEAN 0.19
19 KREPRGKRN 0.2
20 RREPMGKAN 0.2
21 RREPMPRRN 0.21
22 RREPMPERN 0.22
23 RREPMGRRN 0.22
24 RREPMGERN 0.24
25 DREPRPKAN 0.24
26 DREPRGKAN 0.25
27 RRPPRPKRN 0.25
28 KREPRPKAN 0.25
29 RRPPRGKRN 0.26
30 DREPRPRRN 0.26
31 KREPRGKAN 0.27
32 DREPRGRRN 0.27
33 DREPRPERN 0.27
34 DREPMPKRN 0.28
35 KREPRPRRN 0.28
36 RREPMPRAN 0.28
37 RREPMPEAN 0.29
38 KREPRGRRN 0.29
39 KREPRPERN 0.29
40 DREPRGERN 0.29
41 RREPMGRAN 0.29
42 DREPMGKRN 0.3
43 KREPMPKRN 0.3
44 KREPRGERN 0.3
45 RREPMGEAN 0.3
46 KREPMGKRN 0.31
47 RRPPRPKAN 0.32
48 DREPRPRAN 0.33
49 RRPPRGKAN 0.33
50 KREPRPRAN 0.34
51 DREPRGRAN 0.34
52 RREPKPKRN 0.34
53 DREPRPEAN 0.34
54 RREKRPKRN 0.34
55 RRPPRPRRN 0.34
56 RRPPRGRRN 0.35
57 RRPPRPERN 0.35
58 RREKRGKRN 0.35
59 DREPMPKAN 0.35
60 RREPKGKRN 0.36
61 DREPRGEAN 0.36
62 RRPPMPKRN 0.36
63 KREPRPEAN 0.36
64 DREPMGKAN 0.36
65 KREPRGRAN 0.36
66 KREPRGEAN 0.37
67 DREPMPRRN 0.37
68 KREPMPKAN 0.37
69 RRPPRGERN 0.37
70 RMEPRPKRN 0.38
71 KREPMGKAN 0.38
72 RRPPMGKRN 0.38
73 KREPMPRRN 0.39
74 DREPMPERN 0.39
75 RMEPRGKRN 0.39
76 DREPMGRRN 0.39
77 KREPMPERN 0.4
78 RFEPRPKRN 0.4
79 DREPMGERN 0.4
80 KREPMGRRN 0.4
81 DRPPRPKRN 0.41
82 RREPKPKAN 0.41
83 RRPPRPRAN 0.41
84 RREKRPKAN 0.41
85 RRPPRPEAN 0.42
86 RRPPRGRAN 0.42
87 KREPMGERN 0.42
88 RFEPRGKRN 0.42
89 RREKRGKAN 0.42
90 RRPPMPKAN 0.43
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRPPRGKRN

1.54

-6.58

-5.04
2 RREPRGKRN

1.78

-6.7

-4.92
3 RREPMGERN

1.58

-5.9

-4.32
4 DREPRGKRN

1.8

-5.94

-4.14
5 RREPMGKRN

1.73

-5.85

-4.12
6 RREPRPKRN

1.92

-5.78

-3.86
7 RREPMGRRN

1.68

-5.44

-3.76
8 KREPRGKRN

1.62

-5.37

-3.75
9 DREPRPKRN

1.92

-5.54

-3.62
10 RREPMPERN

1.64

-5.0

-3.36
11 RRPPRPKRN

1.73

-5.03

-3.3
12 RREPRPERN

1.81

-5.04

-3.23
13 RREPRPRRN

2.01

-5.16

-3.15
14 RREPRGRRN

2.01

-4.8

-2.79
15 RREPRGERN

1.71

-4.47

-2.76
16 DREPRPRRN

2.11

-4.81

-2.7
17 RREPMPKRN

1.72

-4.16

-2.44
18 RREPMPRRN

2.17

-4.55

-2.38
19 KREPRPKRN

1.75

-4.12

-2.37
20 RREPRGEAN

1.55

-3.79

-2.24
21 RREPMGKAN

1.45

-3.38

-1.93
22 RREPRGKAN

1.64

-3.49

-1.85
23 RREPMPKAN

1.58

-3.37

-1.79
24 RREPRGRAN

1.83

-3.08

-1.25
25 DREPRGKAN

1.57

-2.27

-0.7
26 RREPRPRAN

1.99

-2.38

-0.39
27 RREPRPKAN

1.88

-2.21

-0.33
28 RREPRPEAN

1.87

-1.77

0.1
29 KREPRPKAN

1.98

-1.85

0.13
30 DREPRPKAN

1.68

-0.93

0.75

 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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