Predicted ligand sequences


ADAN-name: 1BF52.PDB (view again the scoring matrix)

PDB name: [1BF5.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT G Y I K T E L I S V
position 1 2 3 4 5 6 7 8 9 10
poly-Ala
G
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 9.422 ΔGbinding 0.340
TOTAL
 9.762
Backbone Hb -0.050 Cis_bond 0.000
Sidechain Hb -1.070 Torsional clash 0.890
Van der Waals -5.050 Backbone clash 1.270
Electrostatics -0.060 Helix dipole 0.010
Solvation Polar 5.970 Water bridges -0.440
Solvation Hyd -6.900 Disulfide 0.000
VdW clashes 1.610 Electrost. Kon -0.140
Entropy sc 2.370 Part.cov.bonds 0.000
Entropy mc

3.210

 ΔGstability

187.800
       

Predicted ligand sequences for template [1BF52.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).
 
  1BF52.PDB  

(data)
# Predicted Sequences Value Calculate
1 RRpRGHKMKG 0.0
2 HRpRGHKMKG 0.01
3 RRARGHKMKG 0.01
4 RRCRGHKMKG 0.01
5 HRCRGHKMKG 0.02
6 ARpRGHKMKG 0.02
7 HRARGHKMKG 0.02
8 ARCRGHKMKG 0.03
9 ARARGHKMKG 0.03
10 RApRGHKMKG 0.05
11 RCpRGHKMKG 0.05
12 RACRGHKMKG 0.06
13 RAARGHKMKG 0.06
14 RCCRGHKMKG 0.06
15 HCpRGHKMKG 0.06
16 RCARGHKMKG 0.06
17 HApRGHKMKG 0.06
18 HAARGHKMKG 0.07
19 HCARGHKMKG 0.07
20 ACpRGHKMKG 0.07
21 HACRGHKMKG 0.07
22 AApRGHKMKG 0.07
23 HCCRGHKMKG 0.07
24 ACCRGHKMKG 0.08
25 ACARGHKMKG 0.08
26 AAARGHKMKG 0.08
27 AACRGHKMKG 0.08
28 RRpRPHKMKG 0.11
29 RRCRPHKMKG 0.12
30 RRpHGHKMKG 0.12
31 RRARPHKMKG 0.12
32 HRpRPHKMKG 0.12
33 HRpHGHKMKG 0.13
34 ARpRPHKMKG 0.13
35 HRCRPHKMKG 0.13
36 RRCHGHKMKG 0.13
37 RRAHGHKMKG 0.13
38 RRpKGHKMKG 0.13
39 HRARPHKMKG 0.13
40 ARpHGHKMKG 0.14
41 ARCRPHKMKG 0.14
42 RRpRGHKMKA 0.14
43 HRpKGHKMKG 0.14
44 ARARPHKMKG 0.14
45 RRCKGHKMKG 0.14
46 HRCHGHKMKG 0.14
47 HRAHGHKMKG 0.14
48 RRAKGHKMKG 0.14
49 ARpKGHKMKG 0.15
50 HRpRGHKMKA 0.15
51 HRAKGHKMKG 0.15
52 RRpRGHKMKM 0.15
53 RRARGHKMKA 0.15
54 ARCHGHKMKG 0.15
55 RRCRGHKMKA 0.15
56 ARAHGHKMKG 0.15
57 HRCKGHKMKG 0.15
58 ARCKGHKMKG 0.16
59 RApRPHKMKG 0.16
60 ARAKGHKMKG 0.16
61 HRpRGHKMKM 0.16
62 HRCRGHKMKA 0.16
63 ARpRGHKMKA 0.16
64 HRARGHKMKA 0.16
65 RRARGHKMKM 0.16
66 RRCRGHKMKM 0.16
67 RCpRPHKMKG 0.16
68 RCARPHKMKG 0.17
69 RCpHGHKMKG 0.17
70 RCCRPHKMKG 0.17
71 HRCRGHKMKM 0.17
72 RACRPHKMKG 0.17
73 HCpRPHKMKG 0.17
74 ARpRGHKMKM 0.17
75 RApHGHKMKG 0.17
76 HRARGHKMKM 0.17
77 RAARPHKMKG 0.17
78 HApRPHKMKG 0.17
79 ARCRGHKMKA 0.17
80 ARARGHKMKA 0.17
81 HCARPHKMKG 0.18
82 RCAHGHKMKG 0.18
83 RAAHGHKMKG 0.18
84 AApRPHKMKG 0.18
85 RCCHGHKMKG 0.18
86 ACpRPHKMKG 0.18
87 HCCRPHKMKG 0.18
88 ARCRGHKMKM 0.18
89 HACRPHKMKG 0.18
90 RCpKGHKMKG 0.18
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ACARGHKMKG

9.89

-4.51

5.38
2 ACCRGHKMKG

9.69

-4.18

5.51
3 HApRGHKMKG

9.7

-4.0

5.7
4 HCCRGHKMKG

10.6

-4.67

5.93
5 AApRGHKMKG

10.21

-4.28

5.93
6 RRpRPHKMKG

10.27

-4.3

5.97
7 RAARGHKMKG

10.69

-4.72

5.97
8 HCARGHKMKG

9.82

-3.67

6.15
9 HRARGHKMKG

10.54

-4.37

6.17
10 RRARGHKMKG

10.54

-4.27

6.27
11 ARARGHKMKG

10.34

-4.04

6.3
12 HAARGHKMKG

10.34

-3.99

6.35
13 RRCRGHKMKG

10.7

-4.35

6.35
14 AACRGHKMKG

10.81

-4.34

6.47
15 RCCRGHKMKG

10.53

-4.04

6.49
16 ACpRGHKMKG

10.8

-4.3

6.5
17 HRCRGHKMKG

9.74

-3.23

6.51
18 RRpRGHKMKG

10.56

-3.98

6.58
19 RCARGHKMKG

10.32

-3.28

7.04
20 RRCRPHKMKG

10.81

-3.72

7.09
21 RACRGHKMKG

11.45

-4.3

7.15
22 HRpRGHKMKG

11.26

-3.96

7.3
23 AAARGHKMKG

11.22

-3.91

7.31
24 RApRGHKMKG

9.82

-2.26

7.56
25 ARpRGHKMKG

10.97

-3.28

7.69
26 RCpRGHKMKG

10.57

-2.78

7.79
27 HCpRGHKMKG

11.95

-3.79

8.16
28 HACRGHKMKG

12.15

-3.73

8.42
29 RRpHGHKMKG

12.88

-3.83

9.05
30 ARCRGHKMKG

13.36

-3.66

9.7

 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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