Predicted ligand sequences (modelled structure)


ADAN-name: NBP2_1SEM-21.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
G
G
 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 0.888 ΔGbinding -0.090
TOTAL
 0.798
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.280
Van der Waals -2.187 Backbone clash 0.089
Electrostatics 0.145 Helix dipole 0.000
Solvation Polar 2.874 Water bridges -0.020
Solvation Hyd -2.865 Disulfide 0.000
VdW clashes 0.391 Electrost. Kon 0.102
Entropy sc 0.270 Part.cov.bonds 0.000
Entropy mc

2.195

 ΔGstability

30.565
       

Predicted ligand sequences for model [NBP2_1SEM-21.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_1SEM-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 EWRFRRPTMK 0.0
2 EWRFGRPTMK 0.02
3 EWRFRRPRMK 0.02
4 EWKFRRPTMK 0.03
5 EWRFGRPRMK 0.04
6 EWKFRRPRMK 0.05
7 EWKFGRPTMK 0.05
8 EWKFGRPRMK 0.07
9 EWIFRRPTMK 0.16
10 EWIFRRPRMK 0.18
11 EWIFGRPTMK 0.18
12 EWIFGRPRMK 0.2
13 EWRFRRTTMK 0.34
14 EWRFRRTRMK 0.36
15 EWRFRRPHMK 0.37
16 EWRFGRTTMK 0.37
17 EWKFRRTTMK 0.38
18 EWRFGRTRMK 0.38
19 EWRFGRPHMK 0.39
20 EWKFRRTRMK 0.39
21 EWRFRHPTMK 0.4
22 EWKFGRTTMK 0.4
23 EWKFRRPHMK 0.4
24 EWKFGRTRMK 0.41
25 EWRFGHPTMK 0.42
26 EWKFGRPHMK 0.42
27 EWRFRHPRMK 0.42
28 EWKFRHPTMK 0.43
29 EWRFGHPRMK 0.44
30 EWRFRRQTMK 0.45
31 EWKFRHPRMK 0.45
32 EWKFGHPTMK 0.46
33 EWRFRRQRMK 0.47
34 EWKFGHPRMK 0.47
35 EWRFGRQTMK 0.47
36 EWKFRRQTMK 0.48
37 EWRFGRQRMK 0.49
38 EWKFRRQRMK 0.5
39 EWKFGRQTMK 0.5
40 EWIFRRTTMK 0.51
41 EWKFGRQRMK 0.52
42 EWIFRRTRMK 0.52
43 EWIFGRTTMK 0.53
44 EWIFRRPHMK 0.53
45 EWIFGRTRMK 0.54
46 EWIFGRPHMK 0.55
47 EWIFRHPTMK 0.56
48 EWIFGHPTMK 0.58
49 EWIFRHPRMK 0.58
50 EWIFGHPRMK 0.6
51 EWIFRRQTMK 0.61
52 EWIFGRQTMK 0.63
53 EWIFRRQRMK 0.63
54 EWIFGRQRMK 0.65
55 EWRFRRTHMK 0.71
56 EWRFGRTHMK 0.73
57 EWKFRRTHMK 0.74
58 EWRFRHTTMK 0.75
59 EWRFRHTRMK 0.76
60 EWRFGHTTMK 0.77
61 EWRFRHPHMK 0.77
62 EWKFGRTHMK 0.77
63 EWRFGHTRMK 0.78
64 EWKFRHTTMK 0.78
65 EWRFGHPHMK 0.79
66 EWKFRHPHMK 0.8
67 EWKFRHTRMK 0.8
68 EWKFGHTTMK 0.8
69 EWKFGHTRMK 0.82
70 EWKFGHPHMK 0.82
71 EWRFRRQHMK 0.82
72 EWRFGRQHMK 0.84
73 EWRFRHQTMK 0.85
74 EWKFRRQHMK 0.85
75 EWKFGRQHMK 0.87
76 EWIFRRTHMK 0.87
77 EWRFRHQRMK 0.87
78 EWRFGHQTMK 0.87
79 EWKFRHQTMK 0.88
80 EWRFGHQRMK 0.89
81 EWIFGRTHMK 0.89
82 EWKFRHQRMK 0.9
83 EWKFGHQTMK 0.91
84 EWIFRHTTMK 0.91
85 EWIFRHTRMK 0.92
86 EWKFGHQRMK 0.92
87 EWIFRHPHMK 0.93
88 EWIFGHTTMK 0.93
89 EWIFGHTRMK 0.94
90 EWIFGHPHMK 0.95
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 EWRFGRTRMK

4.5

-9.18

-4.68
2 EWRFGHPRMK

3.66

-7.34

-3.68
3 EWKFGRTTMK

4.31

-7.11

-2.8
4 EWRFGRTTMK

4.36

-7.09

-2.73
5 EWKFGRPRMK

4.96

-7.66

-2.7
6 EWKFGRTRMK

4.33

-7.0

-2.67
7 EWRFGRPTMK

4.17

-6.76

-2.59
8 EWKFGRPTMK

3.67

-5.98

-2.31
9 EWRFRHPTMK

5.45

-7.58

-2.13
10 EWRFRRPTMK

5.45

-7.56

-2.11
11 EWIFGRPTMK

3.37

-5.44

-2.07
12 EWKFRRTRMK

6.71

-8.62

-1.91
13 EWRFRHPRMK

6.89

-8.78

-1.89
14 EWRFGHPTMK

3.9

-5.7

-1.8
15 EWKFRHPTMK

5.34

-7.14

-1.8
16 EWRFRRTTMK

6.24

-7.68

-1.44
17 EWRFGRPHMK

4.83

-6.12

-1.29
18 EWRFRRPHMK

6.9

-7.99

-1.09
19 EWKFRRPRMK

7.03

-8.04

-1.01
20 EWRFRRPRMK

7.41

-8.39

-0.98
21 EWKFRRPTMK

7.31

-7.4

-0.09
22 EWKFGRPHMK

4.99

-4.47

0.52
23 EWKFRRPHMK

6.74

-6.14

0.6
24 EWRFRRTRMK

5.71

-4.95

0.76
25 EWRFGRPRMK

5.02

-4.02

1.0
26 EWIFGRPRMK

5.13

-3.71

1.42
27 EWIFRRPRMK

5.51

-3.69

1.82
28 EWIFRRPTMK

5.04

-3.13

1.91
29 EWRFRRQTMK

6.48

-4.49

1.99
30 EWKFRRTTMK

5.56

-1.66

3.9

 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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