Predicted ligand sequences


ADAN-name: 2AIN2.PDB (view again the scoring matrix)

PDB name: [2AIN.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT L F S T E V
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 6.453 ΔGbinding -2.100
TOTAL
 4.353
Backbone Hb -4.200 Cis_bond 0.000
Sidechain Hb -1.060 Torsional clash 0.340
Van der Waals -8.700 Backbone clash 0.870
Electrostatics 0.210 Helix dipole 0.000
Solvation Polar 12.950 Water bridges -0.460
Solvation Hyd -11.610 Disulfide 0.000
VdW clashes 1.240 Electrost. Kon 0.010
Entropy sc 3.470 Part.cov.bonds 0.000
Entropy mc

5.730

 ΔGstability

76.890
       

Predicted ligand sequences for template [2AIN2.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).
 
  2AIN2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HMIFMP 0.0
2 QMIFMP 0.05
3 MMIFMP 0.08
4 NMIFMP 0.1
5 HMIVMP 0.1
6 HMIFKP 0.13
7 QMIVMP 0.15
8 QMIFKP 0.18
9 MMIVMP 0.18
10 HMILMP 0.19
11 NMIVMP 0.2
12 MMIFKP 0.22
13 NMIFKP 0.23
14 HMIVKP 0.23
15 QMILMP 0.24
16 HKIFMP 0.26
17 QMIVKP 0.28
18 MMILMP 0.28
19 NMILMP 0.29
20 HMIKMP 0.29
21 MMIVKP 0.31
22 QKIFMP 0.31
23 HMILKP 0.32
24 NMIVKP 0.33
25 QMIKMP 0.34
26 MKIFMP 0.35
27 HKIVMP 0.36
28 NKIFMP 0.36
29 QMILKP 0.37
30 MMIKMP 0.37
31 NMIKMP 0.39
32 HKIFKP 0.4
33 HMIFIP 0.4
34 HGIFMP 0.41
35 QKIVMP 0.41
36 MMILKP 0.41
37 NMILKP 0.42
38 HMIFLP 0.42
39 HMIKKP 0.42
40 QKIFKP 0.44
41 MKIVMP 0.45
42 HKILMP 0.45
43 QMIFIP 0.45
44 QGIFMP 0.46
45 NKIVMP 0.46
46 QMIKKP 0.47
47 QMIFLP 0.47
48 MMIFIP 0.48
49 MKIFKP 0.48
50 MGIFMP 0.49
51 HKIVKP 0.49
52 MMIFLP 0.5
53 NMIFIP 0.5
54 QKILMP 0.5
55 HMIVIP 0.5
56 MMIKKP 0.5
57 NKIFKP 0.5
58 HGIVMP 0.51
59 NGIFMP 0.51
60 NMIKKP 0.52
61 NMIFLP 0.52
62 HMIVLP 0.52
63 QKIVKP 0.54
64 HGIFKP 0.54
65 QMIVIP 0.54
66 MKILMP 0.54
67 HKIKMP 0.55
68 NKILMP 0.55
69 QGIVMP 0.56
70 QMIVLP 0.56
71 MKIVKP 0.58
72 MMIVIP 0.58
73 QGIFKP 0.59
74 HKILKP 0.59
75 NKIVKP 0.59
76 HMILIP 0.59
77 MGIVMP 0.59
78 MMIVLP 0.6
79 NMIVIP 0.6
80 QKIKMP 0.6
81 HGILMP 0.6
82 HMILLP 0.61
83 NGIVMP 0.61
84 NMIVLP 0.62
85 MGIFKP 0.63
86 QKILKP 0.64
87 NGIFKP 0.64
88 HGIVKP 0.64
89 QMILIP 0.64
90 MKIKMP 0.64
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 HKIVMP

6.2

-8.06

-1.86
2 QKIFMP

6.66

-8.15

-1.49
3 QMILMP

5.75

-6.94

-1.19
4 QMIVMP

6.01

-7.14

-1.13
5 MMIVMP

6.06

-6.99

-0.93
6 HMILKP

6.44

-7.24

-0.8
7 QMIKMP

6.68

-7.35

-0.67
8 MMIKMP

6.22

-6.87

-0.65
9 HMIVMP

6.85

-7.49

-0.64
10 HKIFMP

6.29

-6.79

-0.5
11 HMILMP

6.15

-6.64

-0.49
12 QMILKP

6.47

-6.89

-0.42
13 NMIVKP

6.65

-6.95

-0.3
14 HMIVKP

6.88

-7.07

-0.19
15 MMIVKP

6.58

-6.76

-0.18
16 NMILMP

6.61

-6.78

-0.17
17 HMIKMP

6.86

-7.01

-0.15
18 QMIVKP

6.8

-6.83

-0.03
19 HMIFKP

6.21

-6.22

-0.01
20 MKIFMP

6.69

-6.52

0.17
21 MMIFMP

6.72

-6.53

0.19
22 NMIFMP

6.77

-6.38

0.39
23 QMIFKP

6.59

-6.1

0.49
24 NMIFKP

6.83

-6.07

0.76
25 MMIFKP

6.53

-5.76

0.77
26 HMIFMP

7.35

-6.13

1.22
27 QMIFMP

7.51

-6.13

1.38
28 MMILMP

7.64

-6.17

1.47
29 NKIFMP

8.49

-6.52

1.97
30 NMIVMP

8.92

-6.5

2.42

 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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