Predicted ligand sequences


ADAN-name: 1IQ13.PDB (view again the scoring matrix)

PDB name: [1IQ1.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT E N M L K R R N V
position 1 2 3 4 5 6 7 8 9
poly-Ala
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 7.845 ΔGbinding -20.446
TOTAL
 -12.601
Backbone Hb -8.188 Cis_bond 0.000
Sidechain Hb -15.537 Torsional clash 1.331
Van der Waals -14.817 Backbone clash 0.882
Electrostatics -4.183 Helix dipole -0.048
Solvation Polar 24.375 Water bridges -0.211
Solvation Hyd -16.034 Disulfide 0.000
VdW clashes 1.099 Electrost. Kon -1.931
Entropy sc 6.826 Part.cov.bonds 0.000
Entropy mc

6.873

 ΔGstability

-3.994
       

Predicted ligand sequences for template [1IQ13.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).
 
  1IQ13.PDB  

(data)
# Predicted Sequences Value Calculate
1 ERPRKMRFF 0.0
2 sRPRKMRFF 0.01
3 ERPRKMRFM 0.02
4 sRPRKMRFM 0.02
5 sKPRKMRFF 0.07
6 EKPRKMRFF 0.07
7 ERPRKFRFF 0.08
8 sKPRKMRFM 0.09
9 sRPRKFRFF 0.09
10 EKPRKMRFM 0.09
11 ERPRKFRFM 0.1
12 sRPRKFRFM 0.11
13 EKPRKFRFF 0.15
14 sKPRKFRFF 0.16
15 EKPRKFRFM 0.17
16 sKPRKFRFM 0.17
17 ERsRKMRFF 0.3
18 sRsRKMRFF 0.31
19 ERsRKMRFM 0.32
20 ERPRKLRFF 0.33
21 sRsRKMRFM 0.33
22 sRPRKLRFF 0.34
23 ENPRKMRFF 0.34
24 ERPRKLRFM 0.35
25 sNPRKMRFF 0.35
26 ERPRKMRFY 0.36
27 sRPRKMRFY 0.36
28 sRPRKLRFM 0.36
29 ENPRKMRFM 0.36
30 EKsRKMRFF 0.37
31 sNPRKMRFM 0.37
32 sKsRKMRFF 0.38
33 ERsRKFRFF 0.38
34 sRsRKFRFF 0.39
35 EKsRKMRFM 0.39
36 sKsRKMRFM 0.4
37 EKPRKLRFF 0.4
38 ERsRKFRFM 0.4
39 sRsRKFRFM 0.41
40 sKPRKLRFF 0.41
41 EKPRKLRFM 0.42
42 EKPRKMRFY 0.42
43 sNPRKFRFF 0.43
44 ERQRKMRFF 0.43
45 sKPRKMRFY 0.43
46 sKPRKLRFM 0.43
47 ENPRKFRFF 0.43
48 ERPRKFRFY 0.44
49 sRQRKMRFF 0.44
50 ENPRKFRFM 0.44
51 sNPRKFRFM 0.45
52 ERQRKMRFM 0.45
53 EKsRKFRFF 0.45
54 sRPRKFRFY 0.45
55 sKsRKFRFF 0.46
56 sRQRKMRFM 0.46
57 EKsRKFRFM 0.47
58 sKsRKFRFM 0.48
59 EKQRKMRFF 0.5
60 ERQRKFRFF 0.51
61 EKPRKFRFY 0.51
62 sKPRKFRFY 0.51
63 sKQRKMRFF 0.51
64 sRQRKFRFF 0.52
65 EKQRKMRFM 0.52
66 sKQRKMRFM 0.52
67 ERQRKFRFM 0.53
68 sRQRKFRFM 0.54
69 EKQRKFRFF 0.58
70 sKQRKFRFF 0.59
71 sKQRKFRFM 0.6
72 EKQRKFRFM 0.6
73 sRsRKLRFF 0.64
74 ERsRKLRFF 0.64
75 ENsRKMRFF 0.65
76 ERsRKLRFM 0.65
77 sNsRKMRFF 0.66
78 ERsRKMRFY 0.66
79 sRsRKLRFM 0.66
80 ENsRKMRFM 0.67
81 sNsRKMRFM 0.67
82 sRsRKMRFY 0.67
83 ENPRKLRFF 0.68
84 ERPRKLRFY 0.69
85 sNPRKLRFF 0.69
86 ENPRKMRFY 0.7
87 ENPRKLRFM 0.7
88 sRPRKLRFY 0.7
89 sNPRKLRFM 0.7
90 EKsRKLRFF 0.7
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 ERPRKLRFF

8.01

-26.92

-18.91
2 sRPRKLRFF

9.63

-27.49

-17.86
3 ERPRKFRFF

8.38

-25.73

-17.35
4 ERPRKMRFF

8.93

-26.14

-17.21
5 sRPRKMRFM

8.56

-25.76

-17.2
6 EKsRKMRFF

7.5

-24.57

-17.07
7 EKPRKMRFF

8.55

-25.35

-16.8
8 sRPRKMRFF

9.02

-25.41

-16.39
9 EKPRKFRFF

9.33

-25.24

-15.91
10 sRsRKMRFF

7.34

-23.01

-15.67
11 ERsRKMRFM

9.29

-24.92

-15.63
12 sRPRKMRFY

8.73

-23.76

-15.03
13 sRPRKFRFF

8.32

-22.98

-14.66
14 ERPRKFRFM

6.92

-21.51

-14.59
15 sNPRKMRFF

7.65

-22.23

-14.58
16 ERsRKMRFF

7.95

-22.08

-14.13
17 sKPRKMRFM

8.0

-21.58

-13.58
18 ERPRKMRFM

8.64

-21.45

-12.81
19 sRsRKMRFM

8.77

-21.35

-12.58
20 ERPRKMRFY

8.19

-20.32

-12.13
21 ENPRKMRFM

6.88

-18.99

-12.11
22 sRPRKLRFM

7.87

-19.76

-11.89
23 ERPRKLRFM

8.0

-19.81

-11.81
24 sRPRKFRFM

9.34

-20.94

-11.6
25 sKPRKMRFF

9.61

-21.19

-11.58
26 sKPRKFRFM

8.35

-19.62

-11.27
27 ENPRKMRFF

7.49

-18.25

-10.76
28 EKPRKMRFM

7.57

-18.03

-10.46
29 EKPRKFRFM

8.21

-18.45

-10.24
30 sKPRKFRFF

8.46

-16.11

-7.65

 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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