Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-27.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
 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 0.829 ΔGbinding 3.343
TOTAL
 4.172
Backbone Hb -0.887 Cis_bond 0.000
Sidechain Hb -0.887 Torsional clash 0.213
Van der Waals -4.251 Backbone clash 0.042
Electrostatics 0.081 Helix dipole 0.000
Solvation Polar 4.945 Water bridges 0.000
Solvation Hyd -5.825 Disulfide 0.000
VdW clashes 6.612 Electrost. Kon 0.125
Entropy sc 1.179 Part.cov.bonds 0.000
Entropy mc

2.039

 ΔGstability

18.458
       

Predicted ligand sequences for model [NBP2_1YN8-27.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).
 
  NBP2_1YN8-27.PDB  

(data)
# Predicted Sequences Value Calculate
1 RKRRRRKWR 0.0
2 RRRRRRKWR 0.02
3 RDRRRRKWR 0.04
4 RKKRRRKWR 0.08
5 RRKRRRKWR 0.11
6 RDKRRRKWR 0.12
7 RKPRRRKWR 0.18
8 RRPRRRKWR 0.2
9 RDPRRRKWR 0.22
10 RKRRRRKWK 0.25
11 RRRRRRKWK 0.28
12 RDRRRRKWK 0.29
13 RKRRRKKWR 0.29
14 RKRRRRKRR 0.31
15 RRRRRKKWR 0.32
16 RKRRRRKWW 0.33
17 RRRRRRKRR 0.33
18 RDRRRKKWR 0.34
19 RKKRRRKWK 0.34
20 IKRRRRKWR 0.35
21 RDRRRRKRR 0.35
22 RRRRRRKWW 0.36
23 RRKRRRKWK 0.36
24 RDRRRRKWW 0.37
25 RDKRRRKWK 0.38
26 RKKRRKKWR 0.38
27 IRRRRRKWR 0.38
28 RKKRRRKRR 0.39
29 IDRRRRKWR 0.39
30 RRKRRKKWR 0.4
31 RRKRRRKRR 0.41
32 RKKRRRKWW 0.41
33 RDKRRKKWR 0.42
34 RKRRRRRWR 0.42
35 RKPRRRKWK 0.43
36 RDKRRRKRR 0.43
37 RRRRRRRWR 0.44
38 IKKRRRKWR 0.44
39 RRKRRRKWW 0.44
40 RRPRRRKWK 0.45
41 RDKRRRKWW 0.45
42 RDRRRRRWR 0.46
43 IRKRRRKWR 0.46
44 RKPRRKKWR 0.47
45 RDPRRRKWK 0.47
46 IDKRRRKWR 0.48
47 RKPRRRKRR 0.48
48 RKKRRRRWR 0.5
49 RRPRRKKWR 0.5
50 RKPRRRKWW 0.51
51 RRPRRRKRR 0.51
52 RDPRRKKWR 0.51
53 RRKRRRRWR 0.52
54 IKPRRRKWR 0.53
55 RRPRRRKWW 0.53
56 RDPRRRKRR 0.53
57 RDKRRRRWR 0.54
58 RDPRRRKWW 0.55
59 RKRRRKKWK 0.55
60 IRPRRRKWR 0.55
61 RKRRRRKRK 0.56
62 IDPRRRKWR 0.57
63 RRRRRKKWK 0.57
64 RDRRRKKWK 0.59
65 RKPRRRRWR 0.59
66 RRRRRRKRK 0.59
67 RKRRRKKRR 0.6
68 RDRRRRKRK 0.6
69 IKRRRRKWK 0.61
70 RRPRRRRWR 0.62
71 RKRRRKKWW 0.63
72 RRRRRKKRR 0.63
73 RKKRRKKWK 0.63
74 IRRRRRKWK 0.63
75 RKKRRRKRK 0.64
76 RDRRRKKRR 0.64
77 RKRRRRKRW 0.64
78 RDPRRRRWR 0.64
79 IKRRRKKWR 0.65
80 IDRRRRKWK 0.65
81 RRRRRKKWW 0.65
82 RRKRRKKWK 0.66
83 IKRRRRKRR 0.66
84 RRRRRRKRW 0.66
85 IRRRRKKWR 0.67
86 RDKRRKKWK 0.67
87 RDRRRKKWW 0.67
88 RRKRRRKRK 0.67
89 RKRRRRRWK 0.67
90 RDRRRRKRW 0.68
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RKKRRRKRR

3.92

-8.72

-4.8
2 RDKRRRKWK

3.33

-7.27

-3.94
3 RKRRRRKRR

5.67

-9.59

-3.92
4 RDRRRRKRR

5.4

-8.86

-3.46
5 RKRRRRKWR

4.19

-7.28

-3.09
6 RKPRRRKWR

5.07

-8.09

-3.02
7 RRRRRRKRR

5.29

-7.88

-2.59
8 RDRRRRKWR

3.86

-6.41

-2.55
9 RRRRRKKWR

5.72

-7.98

-2.26
10 RKRRRRKWK

4.95

-7.14

-2.19
11 RRRRRRKWK

4.14

-6.18

-2.04
12 RKRRRKKWR

4.76

-6.79

-2.03
13 RDRRRRKWW

4.45

-6.47

-2.02
14 RKKRRKKWR

4.22

-6.14

-1.92
15 RDKRRRKWR

4.78

-6.61

-1.83
16 RRKRRRKWR

4.62

-6.21

-1.59
17 RDPRRRKWR

4.66

-6.24

-1.58
18 RRRRRRKWW

5.88

-7.45

-1.57
19 RRKRRKKWR

5.15

-6.22

-1.07
20 RKRRRRKWW

4.97

-5.88

-0.91
21 RRRRRRKWR

4.15

-4.94

-0.79
22 IDRRRRKWR

4.47

-5.25

-0.78
23 RRPRRRKWR

4.63

-5.3

-0.67
24 RKKRRRKWR

6.32

-6.63

-0.31
25 RDRRRRKWK

5.09

-5.38

-0.29
26 RKKRRRKWK

5.66

-5.66

0.0
27 RRKRRRKWK

4.35

-4.21

0.14
28 IRRRRRKWR

6.77

-6.59

0.18
29 RDRRRKKWR

5.22

-5.03

0.19
30 IKRRRRKWR

4.35

-4.05

0.3

 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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