Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1YN8-6.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 0.255 ΔGbinding 7.702
TOTAL
 7.957
Backbone Hb 0.000 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 1.205
Van der Waals -3.414 Backbone clash 2.360
Electrostatics -0.021 Helix dipole 0.000
Solvation Polar 3.205 Water bridges -0.000
Solvation Hyd -4.937 Disulfide 0.000
VdW clashes 9.351 Electrost. Kon -0.053
Entropy sc 0.310 Part.cov.bonds 0.000
Entropy mc

2.057

 ΔGstability

26.618
       

Predicted ligand sequences for model [NBP2_1YN8-6.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_1YN8-6.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRRMGRYPPK 0.0
2 RRRMGRYPPW 0.06
3 RRHMGRYPPK 0.15
4 RRRMGRYPPR 0.15
5 RRRMGRYRPK 0.17
6 RRRMGRYDPK 0.19
7 RRHMGRYPPW 0.21
8 RRRIGRYPPK 0.21
9 RRRMGRYRPW 0.23
10 RRRMGRYPRK 0.24
11 RRIMGRYPPK 0.25
12 RRRMGFYPPK 0.26
13 RRRMGRYDPW 0.26
14 RRRMGRYPMK 0.27
15 RRRIGRYPPW 0.27
16 RRRMGWYPPK 0.29
17 RRHMGRYPPR 0.3
18 RRRMGRYPRW 0.3
19 RRIMGRYPPW 0.31
20 RRRMGFYPPW 0.32
21 RRHMGRYRPK 0.32
22 RRRMGRYRPR 0.32
23 RRRMGRYPMW 0.33
24 RRHMGRYDPK 0.34
25 RRRMGWYPPW 0.35
26 RRRMGRYDPR 0.35
27 RRRIGRYPPR 0.36
28 RRHIGRYPPK 0.36
29 RRRKGRYPPK 0.36
30 RRRIGRYRPK 0.38
31 RRHMGRYRPW 0.38
32 RRRMGRYPRR 0.39
33 RRHMGRYPRK 0.39
34 RRHMGRYDPW 0.4
35 RRRIGRYDPK 0.4
36 RRHMGFYPPK 0.41
37 RRRMGRYRRK 0.41
38 RRIMGRYPPR 0.41
39 RRIMGRYRPK 0.42
40 RRRMGFYPPR 0.42
41 RRHMGRYPMK 0.42
42 RRHIGRYPPW 0.42
43 RRRKGRYPPW 0.42
44 RRRMGFYRPK 0.43
45 RRRMGRYPMR 0.43
46 RRRMGRYDRK 0.43
47 RRRIGRYRPW 0.44
48 RRHMGWYPPK 0.44
49 RRRMGRYRMK 0.44
50 RRRMGWYPPR 0.45
51 RRIMGRYDPK 0.45
52 RRHMGRYPRW 0.45
53 RRRIGRYPRK 0.45
54 RRRMGFYDPK 0.46
55 RRRMGWYRPK 0.46
56 RRIIGRYPPK 0.46
57 RRHMGFYPPW 0.47
58 RRRIGRYDPW 0.47
59 RRRMGRYRRW 0.47
60 RRHMGRYRPR 0.47
61 RRRIGFYPPK 0.47
62 RRRMGRYDMK 0.47
63 RRIMGRYRPW 0.48
64 RRHMGRYPMW 0.48
65 RRRIGRYPMK 0.48
66 RRRMGFYRPW 0.49
67 RRRMGRYDRW 0.49
68 RRRMGWYDPK 0.49
69 RRIMGRYPRK 0.49
70 RRHMGRYDPR 0.5
71 RRHMGWYPPW 0.5
72 RRRMGRYRMW 0.5
73 RRRMGFYPRK 0.5
74 RRRIGWYPPK 0.5
75 RRIMGRYDPW 0.51
76 RRHIGRYPPR 0.51
77 RRRKGRYPPR 0.51
78 RRHKGRYPPK 0.51
79 RRIMGFYPPK 0.51
80 RRRIGRYPRW 0.51
81 RRRMGFYDPW 0.52
82 RRIMGRYPMK 0.52
83 RRRMGWYRPW 0.52
84 RRIIGRYPPW 0.52
85 RRRIGRYRPR 0.53
86 RRRKGRYRPK 0.53
87 RRRMGWYPRK 0.53
88 RRHIGRYRPK 0.53
89 RRRIGFYPPW 0.53
90 RRRMGRYDMW 0.53
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RRHMGRYRPK

1.88

-7.61

-5.73
2 RRRMGRYRPW

1.95

-7.43

-5.48
3 RRHIGRYPPK

2.21

-7.47

-5.26
4 RRRMGRYPPW

2.46

-7.59

-5.13
5 RRHMGRYPPW

2.32

-7.4

-5.08
6 RRRMGRYRPK

1.88

-6.8

-4.92
7 RRRIGRYRPK

2.1

-6.72

-4.62
8 RRHMGRYPPR

2.47

-6.99

-4.52
9 RRRMGRYPMK

2.29

-6.78

-4.49
10 RRRIGRYPPK

2.19

-6.56

-4.37
11 RRRMGRYDPR

2.4

-6.58

-4.18
12 RRRMGRYPRW

2.05

-6.15

-4.1
13 RRRMGRYDPW

1.93

-6.0

-4.07
14 RRRMGWYPPK

2.81

-6.82

-4.01
15 RRIMGRYPPW

2.05

-5.94

-3.89
16 RRRMGRYPPR

1.99

-5.87

-3.88
17 RRRMGFYPPW

1.72

-5.46

-3.74
18 RRRMGRYPPK

1.88

-5.53

-3.65
19 RRRIGRYPPW

2.3

-5.92

-3.62
20 RRRMGRYPRK

2.62

-6.22

-3.6
21 RRRMGRYDPK

1.96

-5.55

-3.59
22 RRIMGRYPPK

1.92

-5.38

-3.46
23 RRRMGFYPPK

2.62

-6.04

-3.42
24 RRRMGRYRPR

2.06

-5.42

-3.36
25 RRRIGRYPPR

2.06

-5.41

-3.35
26 RRHMGRYPPK

3.26

-6.52

-3.26
27 RRRMGRYPMW

2.48

-5.73

-3.25
28 RRRMGWYPPW

2.47

-5.41

-2.94
29 RRHMGRYDPK

2.58

-5.47

-2.89
30 RRRKGRYPPK

2.59

-5.37

-2.78

 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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