Predicted ligand sequences


ADAN-name: 1TH12.PDB (view again the scoring matrix)

PDB name: [1TH1.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT K Q A A V N A A V Q R V Q V L P D A D p
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala A
A
A
A
A
A
 A A
A
A
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 4.263 ΔGbinding -24.089
TOTAL
 -19.826
Backbone Hb -5.038 Cis_bond 0.000
Sidechain Hb -14.737 Torsional clash 0.644
Van der Waals -12.385 Backbone clash 0.392
Electrostatics -10.799 Helix dipole 0.149
Solvation Polar 23.649 Water bridges -0.806
Solvation Hyd -12.195 Disulfide 0.000
VdW clashes 0.431 Electrost. Kon -5.886
Entropy sc 8.598 Part.cov.bonds 0.000
Entropy mc

4.286

 ΔGstability

-65.193
       

Predicted ligand sequences for template [1TH12.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).
 
  1TH12.PDB  

(data)
# Predicted Sequences Value Calculate
1 THRsSFNTMQSPFWDDDsDE 0.0
2 THRsSFNTMQSAFWDDDsDE 0.01
3 THRsSFNTMQQPFWDDDsDE 0.01
4 THRsSFNTMQQAFWDDDsDE 0.02
5 THRsSFNTMQTPFWDDDsDE 0.08
6 THRsSFNTMQTAFWDDDsDE 0.09
7 THRSSFNTMQSPFWDDDsDE 0.1
8 THRSSFNTMQSAFWDDDsDE 0.11
9 THRsSFNTMQSLFWDDDsDE 0.11
10 THRSSFNTMQQPFWDDDsDE 0.11
11 THRsSFNTMQSPFWDDDyDE 0.11
12 THRsSFNTMQQPFWDDDyDE 0.12
13 THRsSFNTMQSPVWDDDsDE 0.12
14 THRsSFNTMQQLFWDDDsDE 0.12
15 THRsSFNTMQSAFWDDDyDE 0.12
16 THRSSFNTMQQAFWDDDsDE 0.12
17 THRsSFNTMQQAFWDDDyDE 0.13
18 THRsSFNTMQQPVWDDDsDE 0.13
19 THRsSFNTMQSAVWDDDsDE 0.13
20 THRsSFNTMQSPFWDDDEDE 0.14
21 THRKSFNTMQSPFWDDDsDE 0.14
22 THRsSFNTMQQAVWDDDsDE 0.14
23 THRKSFNTMQQPFWDDDsDE 0.15
24 THRsSFNTMQQPFWDDDEDE 0.15
25 THRsSFNTMQSAFWDDDEDE 0.15
26 THRsSFNTMQQAFWDDDEDE 0.16
27 THRKSFNTMQSAFWDDDsDE 0.16
28 THRKSFNTMQQAFWDDDsDE 0.17
29 THRsSFNTMQSPFWDDDsEE 0.17
30 THRSSFNTMQTPFWDDDsDE 0.18
31 THRsSFNTMQSAFWDDDsEE 0.18
32 KHRsSFNTMQSPFWDDDsDE 0.18
33 THRsSFNTMQQPFWDDDsEE 0.18
34 KHRsSFNTMQSAFWDDDsDE 0.19
35 THRsSFNTMQQAFWDDDsEE 0.19
36 THRsSFNTMQTLFWDDDsDE 0.19
37 THRsSFNTMQTPFWDDDyDE 0.19
38 THRSSFNTMQTAFWDDDsDE 0.19
39 KHRsSFNTMQQPFWDDDsDE 0.19
40 THRsSFNTMQTPVWDDDsDE 0.2
41 THRsSFNTMQTAFWDDDyDE 0.2
42 KHRsSFNTMQQAFWDDDsDE 0.2
43 THRSSFNTMQSPFWDDDyDE 0.21
44 THRSSFNTMQSLFWDDDsDE 0.21
45 THRsSFNTMQTPFWDDDEDE 0.21
46 THRsSFNTMQTAVWDDDsDE 0.21
47 RHRsSFNTMQSPFWDDDsDE 0.22
48 THRsSFNTMQQLFWDDDyDE 0.22
49 THRSSFNTMQQPFWDDDyDE 0.22
50 THRsSFNTMQSLFWDDDyDE 0.22
51 THRSSFNTMQQLFWDDDsDE 0.22
52 THRSSFNTMQSAFWDDDyDE 0.22
53 THRKSFNTMQTPFWDDDsDE 0.22
54 RHRsSFNTMQQPFWDDDsDE 0.23
55 THRsSFNTMQTAFWDDDEDE 0.23
56 THRKSFNTMQTAFWDDDsDE 0.23
57 THRSSFNTMQQPVWDDDsDE 0.23
58 THRSSFNTMQQAFWDDDyDE 0.23
59 THRSSFNTMQSPVWDDDsDE 0.23
60 RHRsSFNTMQSAFWDDDsDE 0.23
61 THRsSFNTMQSPVWDDDyDE 0.23
62 THRsSFNTMQSLVWDDDsDE 0.23
63 THRSSFNTMQSAVWDDDsDE 0.24
64 THRsSFNTMQQLVWDDDsDE 0.24
65 THRsSFNTMQQPVWDDDyDE 0.24
66 THRSSFNTMQSPFWDDDEDE 0.24
67 THRsSFNTMQSAVWDDDyDE 0.24
68 RHRsSFNTMQQAFWDDDsDE 0.24
69 THRKSFNTMQSPFWDDDyDE 0.25
70 THRSSFNTMQSAFWDDDEDE 0.25
71 THRSSFNTMQQPFWDDDEDE 0.25
72 THRSSFNTMQQAVWDDDsDE 0.25
73 THRsSFNTMQTPFWDDDsEE 0.25
74 THRsSFNTMQQLFWDDDEDE 0.25
75 THRsSFNTMQSLFWDDDEDE 0.25
76 THRKSFNTMQSLFWDDDsDE 0.25
77 THRsSFNTMQQAVWDDDyDE 0.25
78 THRKSFNTMQQPFWDDDyDE 0.26
79 THRsSFNTMQSPVWDDDEDE 0.26
80 KHRsSFNTMQTPFWDDDsDE 0.26
81 THRKSFNTMQQLFWDDDsDE 0.26
82 THRKSFNTMQSAFWDDDyDE 0.26
83 THRsSFNTMQTAFWDDDsEE 0.26
84 THRSSFNTMQQAFWDDDEDE 0.26
85 THRKSFNTMQQAFWDDDyDE 0.27
86 THRsSFNTMQSAVWDDDEDE 0.27
87 THRsSFNTMQQPVWDDDEDE 0.27
88 KHRsSFNTMQTAFWDDDsDE 0.27
89 THRKSFNTMQSPVWDDDsDE 0.27
90 KHRSSFNTMQSPFWDDDsDE 0.28
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 THRsSFNTMQQLFWDDDsDE

3.37

-35.69

-32.32
2 THRsSFNTMQQAFWDDDEDE

2.88

-34.8

-31.92
3 THRsSFNTMQSAFWDDDsDE

3.01

-33.92

-30.91
4 THRSSFNTMQSPFWDDDsDE

2.48

-32.77

-30.29
5 THRsSFNTMQTPFWDDDsDE

2.65

-32.93

-30.28
6 THRSSFNTMQQAFWDDDsDE

2.37

-32.45

-30.08
7 THRsSFNTMQTAFWDDDsDE

2.64

-32.7

-30.06
8 THRsSFNTMQQPFWDDDsDE

3.58

-33.36

-29.78
9 THRSSFNTMQTPFWDDDsDE

2.41

-32.19

-29.78
10 THRKSFNTMQSPFWDDDsDE

2.85

-32.56

-29.71
11 THRsSFNTMQSAFWDDDEDE

3.09

-32.77

-29.68
12 THRKSFNTMQSAFWDDDsDE

2.43

-32.11

-29.68
13 THRsSFNTMQSPFWDDDEDE

2.77

-32.07

-29.3
14 THRsSFNTMQQPFWDDDEDE

2.47

-31.31

-28.84
15 THRSSFNTMQSAFWDDDsDE

2.35

-31.1

-28.75
16 THRsSFNTMQSLFWDDDsDE

3.03

-31.78

-28.75
17 THRsSFNTMQSPFWDDDyDE

2.35

-30.58

-28.23
18 THRsSFNTMQQAFWDDDyDE

2.88

-31.08

-28.2
19 THRsSFNTMQSPFWDDDsDE

3.39

-31.42

-28.03
20 THRsSFNTMQQAFWDDDsDE

2.84

-30.75

-27.91
21 THRSSFNTMQQPFWDDDsDE

4.21

-32.06

-27.85
22 THRsSFNTMQSPFWDDDsEE

2.12

-29.97

-27.85
23 THRsSFNTMQQPFWDDDyDE

4.85

-32.1

-27.25
24 THRsSFNTMQSAFWDDDyDE

2.54

-29.52

-26.98
25 THRKSFNTMQQPFWDDDsDE

3.96

-30.54

-26.58
26 THRsSFNTMQSAVWDDDsDE

1.98

-28.26

-26.28
27 THRsSFNTMQSPVWDDDsDE

2.32

-28.55

-26.23
28 THRsSFNTMQQAVWDDDsDE

2.12

-28.34

-26.22
29 THRKSFNTMQQAFWDDDsDE

2.82

-28.46

-25.64
30 THRsSFNTMQQPVWDDDsDE

4.31

-29.72

-25.41

 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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