Predicted ligand sequences (modelled structure)


ADAN-name: BEM1-D1_JO8-LCK-5.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 10
poly-Ala
A
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 11.779 ΔGbinding 1.101
TOTAL
 12.880
Backbone Hb -2.163 Cis_bond 0.000
Sidechain Hb -2.162 Torsional clash 2.619
Van der Waals -5.956 Backbone clash 0.435
Electrostatics -0.735 Helix dipole 0.000
Solvation Polar 6.902 Water bridges -0.079
Solvation Hyd -8.311 Disulfide 0.000
VdW clashes 7.732 Electrost. Kon -0.642
Entropy sc 1.266 Part.cov.bonds 0.000
Entropy mc

2.630

 ΔGstability

63.339
       

Predicted ligand sequences for model [BEM1-D1_JO8-LCK-5.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).
 
  BEM1-D1_JO8-LCK-5.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRNYPAGDIP 0.0
2 RRNYPPGDIP 0.02
3 RRNYPAGDIF 0.04
4 RRRYPAGDIP 0.05
5 RRNYPPGDIF 0.06
6 RRFYPAGDIP 0.07
7 RRRYPPGDIP 0.07
8 RRFYPPGDIP 0.09
9 RRRYPAGDIF 0.1
10 RRFYPAGDIF 0.11
11 RRRYPPGDIF 0.11
12 RRNYPAGPIP 0.12
13 RRFYPPGDIF 0.13
14 RRNYPPGPIP 0.14
15 RRNYPAGPIF 0.17
16 RRRYPAGPIP 0.18
17 RRNYPPGPIF 0.19
18 RRFYPAGPIP 0.19
19 RRRYPPGPIP 0.2
20 RRFYPPGPIP 0.21
21 RRRYPAGPIF 0.22
22 RRRYPPGPIF 0.24
23 RRFYPAGPIF 0.24
24 RRFYPPGPIF 0.26
25 RRNRPAGDIP 0.27
26 RRNRPPGDIP 0.29
27 RRNRPAGDIF 0.31
28 RRRRPAGDIP 0.32
29 RRNRPPGDIF 0.33
30 RRFRPAGDIP 0.34
31 RRRRPPGDIP 0.34
32 RRFRPPGDIP 0.36
33 RRRRPAGDIF 0.37
34 RRFRPAGDIF 0.38
35 RRRRPPGDIF 0.39
36 RRNRPAGPIP 0.4
37 RRFRPPGDIF 0.4
38 RRNYPAGDEP 0.42
39 RRNRPPGPIP 0.42
40 RRNYPAGSIP 0.43
41 RRNYPPGDEP 0.44
42 RRNRPAGPIF 0.44
43 RRRRPAGPIP 0.45
44 RRNYPPGSIP 0.45
45 RRNYPAGDEF 0.46
46 RRNRPPGPIF 0.46
47 RRFRPAGPIP 0.46
48 RRRRPPGPIP 0.47
49 RRRYPAGDEP 0.47
50 RRNYPAGSIF 0.48
51 RRRYPAGSIP 0.48
52 RRNYPPGDEF 0.48
53 RRNYPAGDVP 0.48
54 RRFRPPGPIP 0.48
55 RRRRPAGPIF 0.49
56 RRRYPPGDEP 0.49
57 RRFYPAGDEP 0.49
58 RRNYPPGDVP 0.5
59 RRNYGAGDIP 0.5
60 RRNYPPGSIF 0.5
61 RRFYPAGSIP 0.5
62 RRRRPPGPIF 0.51
63 RRRYPPGSIP 0.51
64 RRRYPAGDEF 0.51
65 RRFYPPGDEP 0.51
66 RRFRPAGPIF 0.51
67 RRNYPAGDVF 0.52
68 RRFYPPGSIP 0.52
69 RRNYGPGDIP 0.52
70 RRRYPPGDEF 0.53
71 RRRYPAGSIF 0.53
72 RRFYPAGDEF 0.53
73 RRRYPAGDVP 0.53
74 RRFRPPGPIF 0.53
75 RRNYPPGDVF 0.54
76 RRNYGAGDIF 0.54
77 RRNYPAGPEP 0.54
78 RRFYPAGSIF 0.55
79 RRRYGAGDIP 0.55
80 RRRYPPGSIF 0.55
81 RRFYPPGDEF 0.55
82 RRFYPAGDVP 0.55
83 RRRYPPGDVP 0.55
84 RRNYPPGPEP 0.56
85 RRFYGAGDIP 0.56
86 RRNYGPGDIF 0.56
87 RRFYPPGSIF 0.57
88 RRFYPPGDVP 0.57
89 RRRYPAGDVF 0.57
90 RRRYGPGDIP 0.57
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRRYPPGDIF

8.7

-12.2

-3.5
2 RRNYPAGDIF

8.63

-11.9

-3.27
3 RRRYPAGPIF

8.3

-10.17

-1.87
4 RRRYPAGDIF

8.81

-10.5

-1.69
5 RRNRPPGDIF

7.54

-8.67

-1.13
6 RRNRPAGDIF

7.94

-8.94

-1.0
7 RRRYPPGPIF

8.18

-9.08

-0.9
8 RRNYPPGPIF

8.06

-8.96

-0.9
9 RRRYPAGPIP

9.17

-9.95

-0.78
10 RRNYPAGDIP

9.38

-9.67

-0.29
11 RRNYPPGDIF

8.1

-8.18

-0.08
12 RRFYPAGDIF

8.87

-8.93

-0.06
13 RRFYPPGDIF

9.36

-8.93

0.43
14 RRNYPPGDIP

9.59

-9.07

0.52
15 RRFYPPGPIF

8.59

-7.83

0.76
16 RRFRPAGDIP

8.89

-7.83

1.06
17 RRNYPAGPIF

8.46

-7.36

1.1
18 RRFYPAGDIP

8.99

-7.85

1.14
19 RRNYPAGPIP

8.55

-7.27

1.28
20 RRFYPAGPIF

7.55

-6.24

1.31
21 RRRRPAGDIP

8.38

-7.06

1.32
22 RRNRPAGDIP

8.51

-7.05

1.46
23 RRRYPAGDIP

8.37

-6.8

1.57
24 RRFYPPGDIP

7.69

-5.97

1.72
25 RRNRPPGDIP

9.0

-7.24

1.76
26 RRFYPPGPIP

8.91

-7.15

1.76
27 RRRYPPGPIP

9.13

-7.17

1.96
28 RRRYPPGDIP

9.08

-6.39

2.69
29 RRNYPPGPIP

8.24

-4.63

3.61
30 RRFYPAGPIP

10.01

-4.93

5.08

 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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