Predicted ligand sequences


ADAN-name: 1EE42.PDB (view again the scoring matrix)

PDB name: [1EE4.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K R V K L
position 1 2 3 4 5
poly-Ala
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 2.396 ΔGbinding -11.242
TOTAL
 -8.846
Backbone Hb -3.900 Cis_bond 0.000
Sidechain Hb -8.350 Torsional clash 0.494
Van der Waals -8.582 Backbone clash 1.156
Electrostatics -7.508 Helix dipole -0.118
Solvation Polar 19.116 Water bridges 0.353
Solvation Hyd -8.749 Disulfide 0.000
VdW clashes 0.159 Electrost. Kon -2.861
Entropy sc 6.204 Part.cov.bonds 0.000
Entropy mc

2.501

 ΔGstability

-92.676
       

Predicted ligand sequences for template [1EE42.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).
 
  1EE42.PDB  

(data)
# Predicted Sequences Value Calculate
1 KIRRy 0.0
2 KRRRy 0.11
3 KIRPy 0.41
4 KTRRy 0.44
5 KIRMy 0.44
6 KIRFy 0.45
7 KMRRy 0.49
8 KRRPy 0.51
9 KRRFy 0.55
10 KRRMy 0.55
11 KDRRy 0.61
12 KIRRY 0.63
13 KIRRR 0.73
14 KIRYy 0.73
15 KRRRY 0.73
16 KRRRR 0.83
17 KRRYy 0.84
18 KTRPy 0.84
19 KIRRP 0.85
20 KTRFy 0.88
21 KTRMy 0.88
22 KMRPy 0.9
23 KMRMy 0.93
24 KMRFy 0.94
25 KRRRP 0.96
26 KDRPy 1.02
27 KIRPY 1.03
28 KDRMy 1.05
29 KTRRY 1.06
30 KDRFy 1.06
31 KIRMY 1.07
32 KIRFY 1.07
33 KMRRY 1.12
34 KIRPR 1.13
35 KRRPY 1.14
36 KTRRR 1.16
37 KTRYy 1.17
38 KIRMR 1.17
39 KRRMY 1.17
40 KIRFR 1.17
41 KRRFY 1.18
42 KMRRR 1.21
43 KMRYy 1.22
44 KRRPR 1.24
45 KDRRY 1.24
46 KIRPP 1.26
47 KRRMR 1.27
48 KRRFR 1.28
49 KIRMP 1.29
50 KTRRP 1.29
51 KIRFP 1.3
52 KDRRR 1.34
53 KMRRP 1.34
54 KDRYy 1.35
55 KIRYY 1.36
56 KRRPP 1.37
57 KRRMP 1.4
58 KRRFP 1.41
59 KIRYR 1.46
60 KDRRP 1.46
61 KRRYY 1.47
62 KTRPY 1.47
63 KTRMY 1.5
64 KTRFY 1.51
65 KMRPY 1.52
66 KMRFY 1.56
67 KMRMY 1.56
68 KRRYR 1.57
69 KTRPR 1.57
70 KIRYP 1.59
71 KTRMR 1.6
72 KTRFR 1.61
73 KMRPR 1.62
74 KDRPY 1.65
75 KMRFR 1.66
76 KMRMR 1.66
77 KDRMY 1.68
78 KDRFY 1.69
79 KRRYP 1.69
80 KTRPP 1.7
81 KTRFP 1.73
82 KTRMP 1.73
83 KDRPR 1.74
84 KMRPP 1.75
85 KDRFR 1.78
86 KMRMP 1.78
87 KDRMR 1.78
88 KMRFP 1.79
89 KTRYY 1.8
90 KMRYY 1.85
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 KRRRP

2.0

-16.49

-14.49
2 KIRRy

2.22

-15.45

-13.23
3 KDRMy

1.96

-13.75

-11.79
4 KRRPy

2.09

-13.81

-11.72
5 KIRYy

1.98

-13.33

-11.35
6 KRRRy

2.22

-13.32

-11.1
7 KTRPy

1.99

-12.6

-10.61
8 KIRPy

1.6

-12.1

-10.5
9 KRRRR

2.02

-12.45

-10.43
10 KTRRy

1.97

-12.02

-10.05
11 KMRFy

2.14

-12.16

-10.02
12 KIRRR

1.55

-11.12

-9.57
13 KIRRP

2.49

-11.95

-9.46
14 KDRRy

2.16

-11.59

-9.43
15 KIRMy

1.71

-10.92

-9.21
16 KMRRy

2.04

-10.84

-8.8
17 KIRFy

2.01

-10.64

-8.63
18 KRRMy

2.04

-10.49

-8.45
19 KTRFy

2.36

-10.75

-8.39
20 KTRMy

2.08

-10.45

-8.37
21 KIRRY

1.66

-9.92

-8.26
22 KMRMy

2.16

-10.38

-8.22
23 KRRRY

2.09

-10.21

-8.12
24 KIRPY

1.48

-9.58

-8.1
25 KTRRY

1.96

-9.93

-7.97
26 KMRPy

1.95

-9.7

-7.75
27 KRRYy

2.01

-9.12

-7.11
28 KDRPy

2.01

-8.51

-6.5
29 KDRFy

2.0

-8.38

-6.38
30 KRRFy

2.1

-7.3

-5.2

 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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