Predicted ligand sequences


ADAN-name: 1NLP2.PDB (view again the scoring matrix)

PDB name: [1NLP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT P L P P L P
position 1 2 3 4 5 6
poly-Ala
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 8.313 ΔGbinding -5.760
TOTAL
 2.553
Backbone Hb -0.040 Cis_bond 0.000
Sidechain Hb 0.000 Torsional clash 0.050
Van der Waals -5.910 Backbone clash 0.600
Electrostatics 0.030 Helix dipole 0.000
Solvation Polar 3.490 Water bridges -0.060
Solvation Hyd -9.320 Disulfide 0.000
VdW clashes 2.370 Electrost. Kon 0.000
Entropy sc 2.770 Part.cov.bonds 0.000
Entropy mc

0.860

 ΔGstability

61.050
       

Predicted ligand sequences for template [1NLP2.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).
 
  1NLP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 ALPGMF 0.0
2 SLPGMF 0.02
3 GLPGMF 0.03
4 ALPTMF 0.06
5 RLPGMF 0.06
6 ALPPMF 0.06
7 SLPPMF 0.08
8 SLPTMF 0.08
9 ALPFMF 0.08
10 GLPTMF 0.09
11 GLPPMF 0.09
12 SLPFMF 0.1
13 GLPFMF 0.11
14 RLPPMF 0.12
15 RLPTMF 0.12
16 RLPFMF 0.14
17 ALPGMY 0.16
18 SLPGMY 0.17
19 GLPGMY 0.19
20 ALPGMI 0.22
21 ALPTMY 0.22
22 RLPGMY 0.22
23 ALPPMY 0.22
24 SLPTMY 0.23
25 ALPFMY 0.23
26 SLPPMY 0.24
27 SLPGMI 0.24
28 GLPGMI 0.25
29 SLPFMY 0.25
30 GLPTMY 0.25
31 GLPPMY 0.25
32 GLPFMY 0.26
33 RLPPMY 0.28
34 ALPGMW 0.28
35 RLPTMY 0.28
36 ALPTMI 0.28
37 RLPGMI 0.28
38 ALPPMI 0.28
39 ALPFMI 0.29
40 RLPFMY 0.29
41 SLPPMI 0.3
42 SLPTMI 0.3
43 SLPGMW 0.3
44 GLPGMW 0.31
45 SLPFMI 0.31
46 GLPTMI 0.31
47 GLPPMI 0.31
48 GLPFMI 0.32
49 RLPPMI 0.34
50 RLPTMI 0.34
51 ALPTMW 0.34
52 RLPGMW 0.34
53 RLPFMI 0.35
54 ALPPMW 0.35
55 SLPTMW 0.36
56 ALPFMW 0.36
57 SLPPMW 0.37
58 SLPFMW 0.38
59 GLPTMW 0.38
60 GLPPMW 0.38
61 GLPFMW 0.39
62 ALLGMF 0.39
63 RLPTMW 0.4
64 RLPPMW 0.41
65 SLLGMF 0.41
66 GLLGMF 0.42
67 RLPFMW 0.42
68 ALLTMF 0.45
69 ALLPMF 0.45
70 RLLGMF 0.45
71 ALLFMF 0.46
72 SLLTMF 0.47
73 SLLPMF 0.47
74 SLLFMF 0.48
75 GLLPMF 0.48
76 GLLTMF 0.48
77 GLLFMF 0.49
78 RLLPMF 0.51
79 RLLTMF 0.51
80 RLLFMF 0.52
81 ALLGMY 0.54
82 SLLGMY 0.56
83 GLLGMY 0.57
84 ALLTMY 0.6
85 RLLGMY 0.6
86 ALLGMI 0.6
87 ALLPMY 0.61
88 ALLFMY 0.62
89 SLLTMY 0.62
90 SLLGMI 0.62
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 SLPGMF

6.94

-7.5

-0.56
2 GLPPMF

6.91

-7.45

-0.54
3 ALPPMF

6.99

-7.36

-0.37
4 RLPGMF

7.01

-7.36

-0.35
5 SLPTMF

6.85

-7.18

-0.33
6 GLPGMI

6.95

-7.27

-0.32
7 ALPTMF

6.9

-7.2

-0.3
8 RLPPMF

7.1

-7.34

-0.24
9 GLPGMY

7.02

-7.22

-0.2
10 GLPGMF

6.92

-7.09

-0.17
11 GLPTMY

7.03

-7.18

-0.15
12 GLPTMF

6.95

-7.07

-0.12
13 SLPPMY

6.98

-7.08

-0.1
14 ALPGMY

7.0

-7.08

-0.08
15 ALPGMF

6.9

-6.95

-0.05
16 ALPFMF

6.87

-6.83

0.04
17 ALPFMY

7.02

-6.96

0.06
18 ALPPMY

7.04

-6.92

0.12
19 SLPPMF

6.88

-6.75

0.13
20 ALPTMY

7.0

-6.87

0.13
21 SLPTMY

7.1

-6.96

0.14
22 SLPGMY

7.09

-6.93

0.16
23 RLPTMF

7.05

-6.84

0.21
24 RLPGMY

7.09

-6.86

0.23
25 RLPFMF

7.08

-6.76

0.32
26 ALPGMI

7.0

-6.67

0.33
27 SLPFMF

6.93

-6.57

0.36
28 GLPFMF

6.92

-6.56

0.36
29 SLPFMY

6.91

-6.39

0.52
30 SLPGMI

6.97

-6.4

0.57

 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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