Predicted ligand sequences (modelled structure)


ADAN-name: BOI2_1YCS-13.PDB (view again the scoring matrix)

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

position 1 2 3 4 5 6 7 8
poly-Ala
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 6.785 ΔGbinding -1.100
TOTAL
 5.685
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.692
Van der Waals -4.074 Backbone clash 0.122
Electrostatics -0.361 Helix dipole 0.000
Solvation Polar 4.663 Water bridges -0.006
Solvation Hyd -6.167 Disulfide 0.000
VdW clashes 1.567 Electrost. Kon -0.352
Entropy sc 1.031 Part.cov.bonds 0.000
Entropy mc

1.909

 ΔGstability

61.444
       

Predicted ligand sequences for model [BOI2_1YCS-13.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).
 
  BOI2_1YCS-13.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFFFMPIR 0.0
2 RFFFRPIR 0.01
3 RFFMMPIR 0.06
4 RFFMRPIR 0.07
5 RFFFMPID 0.1
6 RFYFMPIR 0.1
7 RFFFFPIR 0.1
8 RFYFRPIR 0.11
9 RFFFRPID 0.11
10 RFFFMPRR 0.14
11 RFFFRPRR 0.15
12 RFYMMPIR 0.16
13 RFWFMPIR 0.16
14 RFFMMPID 0.16
15 RFFMFPIR 0.16
16 RFFMRPID 0.17
17 RFWFRPIR 0.17
18 RFYMRPIR 0.17
19 RFFMMPRR 0.2
20 RFYFMPID 0.2
21 RFYFRPID 0.21
22 RFWMMPIR 0.21
23 RFYFFPIR 0.21
24 RFFMRPRR 0.21
25 RFFFFPID 0.21
26 RFFFMRIR 0.22
27 RFFFMPIF 0.23
28 RFWMRPIR 0.23
29 RFFFRRIR 0.23
30 RFFFMPRD 0.24
31 RFFFRPIF 0.24
32 RFYFMPRR 0.24
33 RFFFFPRR 0.25
34 RFYFRPRR 0.25
35 RFFFRPRD 0.26
36 RFYMMPID 0.26
37 RFWFMPID 0.26
38 RFFMFPID 0.26
39 RFWFFPIR 0.26
40 RFYMFPIR 0.26
41 RFWFRPID 0.27
42 RFYMRPID 0.27
43 RFFMMRIR 0.28
44 RFFMMPIF 0.29
45 RFFMRRIR 0.29
46 RFFMRPIF 0.3
47 RFYMMPRR 0.3
48 RFFMFPRR 0.3
49 RFFMMPRD 0.3
50 RFWFMPRR 0.3
51 RFWFRPRR 0.31
52 RFYFFPID 0.31
53 RFFMRPRD 0.31
54 RFYMRPRR 0.31
55 RFWMMPID 0.32
56 RKFFMPIR 0.32
57 RFWMFPIR 0.32
58 RKFFRPIR 0.33
59 RFFFFRIR 0.33
60 RFYFMPIF 0.33
61 RFFFMRID 0.33
62 RFWMRPID 0.33
63 RFYFMRIR 0.33
64 RFYFRPIF 0.34
65 RFYFRRIR 0.34
66 RFFFMKIR 0.34
67 RFFFFPIF 0.34
68 RFFFRRID 0.34
69 RFFFRKIR 0.35
70 RFFLMPIR 0.35
71 RFFFFPRD 0.35
72 RFYFFPRR 0.35
73 RFYFMPRD 0.35
74 RYFFMPIR 0.35
75 RYFFRPIR 0.36
76 RFWFFPID 0.36
77 RFYMFPID 0.36
78 RFYFRPRD 0.36
79 RFFLRPIR 0.36
80 RFWMMPRR 0.36
81 RFFFMRRR 0.37
82 RFWMRPRR 0.37
83 RFFFMPRF 0.37
84 RFFFRPRF 0.38
85 RFFMMRID 0.38
86 RFFFRRRR 0.38
87 RKFMMPIR 0.38
88 RFYMMRIR 0.38
89 RFWFMRIR 0.38
90 RFYMMPIF 0.39
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFFMMPRR

4.79

-6.89

-2.1
2 RFFMMPIR

5.05

-6.6

-1.55
3 RFFMRPRR

5.12

-6.58

-1.46
4 RFFFMPRR

5.66

-6.76

-1.1
5 RFFFRRIR

6.2

-7.28

-1.08
6 RFWFRPIR

6.34

-7.03

-0.69
7 RFFFRPRR

5.83

-6.5

-0.67
8 RFFMMPID

6.03

-6.6

-0.57
9 RFYFMPID

6.06

-6.56

-0.5
10 RFFFMPIF

5.83

-6.24

-0.41
11 RFWMMPIR

6.69

-7.1

-0.41
12 RFYMRPIR

6.24

-6.56

-0.32
13 RFFMRPID

6.38

-6.52

-0.14
14 RFFFMRIR

5.16

-5.23

-0.07
15 RFFFMPIR

6.57

-6.61

-0.04
16 RFYFFPIR

6.61

-6.6

0.01
17 RFFMRPIR

6.85

-6.82

0.03
18 RFYMMPIR

4.78

-4.72

0.06
19 RFYFRPIR

6.36

-6.13

0.23
20 RFFFRPIR

5.76

-5.43

0.33
21 RFFFRPID

6.08

-5.51

0.57
22 RFYFRPID

6.56

-5.93

0.63
23 RFFFMPID

6.02

-5.3

0.72
24 RFYFMPIR

6.21

-5.41

0.8
25 RFWFMPIR

6.89

-6.02

0.87
26 RFWMRPIR

6.53

-5.38

1.15
27 RFFFMPRD

4.83

-3.55

1.28
28 RFFFFPIR

7.4

-6.01

1.39
29 RFFMFPIR

7.47

-6.01

1.46
30 RFFFFPID

6.69

-4.37

2.32

 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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