Predicted ligand sequences


ADAN-name: 1DDM2.PDB (view again the scoring matrix)

PDB name: [1DDM.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G F S N M S F E D F P
position 1 2 3 4 5 6 7 8 9 10 11
poly-Ala
G
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 8.880 ΔGbinding -8.825
TOTAL
 0.055
Backbone Hb -2.163 Cis_bond 0.000
Sidechain Hb -2.163 Torsional clash 0.949
Van der Waals -10.877 Backbone clash 2.611
Electrostatics -0.728 Helix dipole -0.012
Solvation Polar 11.931 Water bridges -0.075
Solvation Hyd -15.384 Disulfide 0.000
VdW clashes 1.618 Electrost. Kon -0.946
Entropy sc 3.487 Part.cov.bonds 0.000
Entropy mc

5.537

 ΔGstability

176.825
       

Predicted ligand sequences for template [1DDM2.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).
 
  1DDM2.PDB  

(data)
# Predicted Sequences Value Calculate
1 MFMQMCHHWWP 0.0
2 MFMQMCHHFWP 0.01
3 MFMQMCHHWWG 0.02
4 MFMQMCHHFWG 0.04
5 MFMQMCHHYWP 0.04
6 MFMQMCHHYWG 0.06
7 MFMNMCHHWWP 0.09
8 MFMNMCHHFWP 0.1
9 MFMNMCHHWWG 0.11
10 MFMNMCHHFWG 0.12
11 MFMQICHHWWP 0.12
12 MFMQICHHFWP 0.13
13 MFMNMCHHYWP 0.13
14 MFMQMCHHWWA 0.13
15 MFMQICHHWWG 0.14
16 MFMQICHHFWG 0.15
17 MFMNMCHHYWG 0.15
18 MFMQMCHHFWA 0.15
19 MFMQICHHYWP 0.16
20 MFMQMCHHYWA 0.17
21 MFMCMCHHWWP 0.17
22 MFMQICHHYWG 0.18
23 MFMCMCHHFWP 0.19
24 MFMCMCHHWWG 0.2
25 MFMNICHHWWP 0.21
26 MFMCMCHHFWG 0.21
27 MFMQLCHHWWP 0.22
28 MFMQMCKHWWP 0.22
29 MFMNICHHFWP 0.22
30 MFMCMCHHYWP 0.22
31 MFMNMCHHWWA 0.22
32 MFMNICHHWWG 0.23
33 MFMQMCKHFWP 0.23
34 MFMQMCHMWWP 0.23
35 MFMNMCHHFWA 0.23
36 MFMQLCHHFWP 0.24
37 MFMQLCHHWWG 0.24
38 MFMQMCKHWWG 0.24
39 MFMCMCHHYWG 0.24
40 MFMNICHHFWG 0.24
41 MFMQMCHMFWP 0.24
42 MFMQMCKHFWG 0.25
43 MFMNICHHYWP 0.25
44 MFMQMCHMWWG 0.25
45 MFMQICHHWWA 0.25
46 MFMQMCKHYWP 0.26
47 MFMQICHHFWA 0.26
48 MFMNMCHHYWA 0.26
49 MFMQLCHHFWG 0.26
50 MFMQMCHMFWG 0.26
51 MFMQLCHHYWP 0.26
52 MFMQMCHMYWP 0.27
53 MFMNICHHYWG 0.27
54 MFMQMCKHYWG 0.28
55 MFMQLCHHYWG 0.28
56 MFMCICHHWWP 0.29
57 MFMQICHHYWA 0.29
58 MFMQMCHMYWG 0.29
59 MFMNMCKHWWP 0.3
60 MFMCMCHHWWA 0.3
61 MFMNMCHMWWP 0.31
62 MFMCICHHWWG 0.31
63 MFMCICHHFWP 0.31
64 MFMNLCHHWWP 0.31
65 MFMNMCKHFWP 0.32
66 MFMCMCHHFWA 0.32
67 MFMNLCHHFWP 0.32
68 MFMCICHHYWP 0.33
69 MFMNMCHMFWP 0.33
70 MFMNMCKHWWG 0.33
71 MFMCICHHFWG 0.33
72 MFMQICKHWWP 0.33
73 MFMNLCHHWWG 0.33
74 MFMNICHHWWA 0.34
75 MFMQICHMWWP 0.34
76 MFMNMCKHYWP 0.34
77 MFMNMCKHFWG 0.34
78 MFMNMCHMWWG 0.34
79 MFMQMCHNWWP 0.34
80 MFMCICHHYWG 0.35
81 MFMCMCHHYWA 0.35
82 MFMQLCHHWWA 0.35
83 MFMQMCHNFWP 0.35
84 MFMNLCHHYWP 0.35
85 MFMNMCHMFWG 0.35
86 MFMQMCKHWWA 0.35
87 MFMNICHHFWA 0.35
88 MFMQICKHWWG 0.35
89 MFMNLCHHFWG 0.35
90 MFMQICKHFWP 0.35
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MFMNMCHHFWP

8.88

-14.43

-5.55
2 MFMQICHHFWG

9.01

-14.02

-5.01
3 MFMQLCHHWWP

9.28

-14.24

-4.96
4 MFMQICHHFWP

9.63

-14.31

-4.68
5 MFMQMCHHYWP

9.53

-13.93

-4.4
6 MFMNICHHWWP

8.95

-13.33

-4.38
7 MFMCMCHHFWG

8.62

-12.93

-4.31
8 MFMCMCHHYWP

9.06

-13.29

-4.23
9 MFMQICHHWWG

7.54

-11.28

-3.74
10 MFMQMCHHFWG

9.29

-12.69

-3.4
11 MFMQMCHHWWG

9.46

-12.64

-3.18
12 MFMQMCHHFWA

9.19

-12.22

-3.03
13 MFMNMCHHFWG

9.58

-12.52

-2.94
14 MFMQMCHHWWA

9.76

-12.29

-2.53
15 MFMCMCHHFWP

9.59

-12.02

-2.43
16 MFMNMCHHWWG

8.91

-11.34

-2.43
17 MFMQICHHWWP

9.1

-11.47

-2.37
18 MFMCMCHHWWG

9.73

-12.05

-2.32
19 MFMCMCHHWWP

9.16

-11.43

-2.27
20 MFMQMCKHWWP

9.87

-12.0

-2.13
21 MFMQMCHHYWA

9.21

-11.24

-2.03
22 MFMNMCHHYWG

9.64

-11.27

-1.63
23 MFMQMCHHWWP

9.56

-11.14

-1.58
24 MFMNMCHHWWP

9.93

-11.19

-1.26
25 MFMQMCHHYWG

9.8

-10.72

-0.92
26 MFMNMCHHYWP

8.94

-9.78

-0.84
27 MFMQICHHYWP

9.94

-10.75

-0.81
28 MFMNICHHFWP

9.93

-8.25

1.68
29 MFMQICHHYWG

8.93

-6.77

2.16
30 MFMQMCHHFWP

10.3

-7.85

2.45

 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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