Predicted ligand sequences


ADAN-name: 2IWP2.PDB (view again the scoring matrix)

PDB name: [2IWP.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT V S E T S V
position 1 2 3 4 5 6
poly-Ala 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 4.772 ΔGbinding -9.580
TOTAL
 -4.808
Backbone Hb -7.620 Cis_bond 0.150
Sidechain Hb -3.310 Torsional clash 0.060
Van der Waals -8.570 Backbone clash 0.590
Electrostatics -0.750 Helix dipole 0.000
Solvation Polar 14.600 Water bridges -0.850
Solvation Hyd -11.450 Disulfide 0.000
VdW clashes 0.860 Electrost. Kon -0.590
Entropy sc 4.250 Part.cov.bonds 0.000
Entropy mc

3.660

 ΔGstability

52.720
       

Predicted ligand sequences for template [2IWP2.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).
 
  2IWP2.PDB  

(data)
# Predicted Sequences Value Calculate
1 LEIIDV 0.0
2 LELIDV 0.04
3 MEIIDV 0.06
4 LEIIEV 0.1
5 MELIDV 0.1
6 LEITDV 0.12
7 LELIEV 0.15
8 MEIIEV 0.16
9 LEIILV 0.17
10 LELTDV 0.17
11 MEITDV 0.19
12 LELILV 0.21
13 MELIEV 0.21
14 LEITEV 0.23
15 MEIILV 0.23
16 MELTDV 0.23
17 LMIIDV 0.24
18 MELILV 0.27
19 LDIIDV 0.27
20 LELTEV 0.27
21 LMLIDV 0.28
22 LEITLV 0.29
23 MEITEV 0.29
24 LEWIDV 0.3
25 MMIIDV 0.3
26 PEIIDV 0.3
27 LDLIDV 0.31
28 MELTEV 0.33
29 MDIIDV 0.33
30 LELTLV 0.34
31 PELIDV 0.34
32 MMLIDV 0.34
33 LMIIEV 0.34
34 MEITLV 0.35
35 MEWIDV 0.36
36 LMITDV 0.36
37 MDLIDV 0.37
38 LDIIEV 0.37
39 LMLIEV 0.38
40 LDITDV 0.39
41 MMIIEV 0.4
42 LMLTDV 0.4
43 MELTLV 0.4
44 PEIIEV 0.4
45 LEWIEV 0.4
46 LEILDV 0.4
47 LMIILV 0.41
48 MMITDV 0.42
49 PEITDV 0.42
50 LDLIEV 0.42
51 LEWTDV 0.42
52 LDLTDV 0.44
53 PELIEV 0.44
54 LDIILV 0.44
55 MDIIEV 0.44
56 LELLDV 0.44
57 LMLILV 0.45
58 MMLIEV 0.45
59 PELTDV 0.46
60 MEILDV 0.46
61 MDITDV 0.46
62 MEWIEV 0.46
63 LEWILV 0.47
64 PEIILV 0.47
65 MMIILV 0.47
66 MMLTDV 0.47
67 LMITEV 0.47
68 LDLILV 0.48
69 MEWTDV 0.48
70 MDLIEV 0.48
71 MDLTDV 0.5
72 MELLDV 0.5
73 LDITEV 0.5
74 MDIILV 0.5
75 MMLILV 0.51
76 LMLTEV 0.51
77 PELILV 0.51
78 LEILEV 0.51
79 PEITEV 0.52
80 MEWILV 0.53
81 PMIIDV 0.53
82 LEWTEV 0.53
83 LMITLV 0.53
84 MMITEV 0.53
85 LDLTEV 0.54
86 MDLILV 0.54
87 LMWIDV 0.54
88 LELLEV 0.55
89 LDITLV 0.56
90 MDITEV 0.56
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 MMIIDV

3.59

-16.54

-12.95
2 MEIIEV

4.19

-16.38

-12.19
3 MEIIDV

3.81

-15.52

-11.71
4 MEITEV

3.83

-15.32

-11.49
5 MDIIDV

4.12

-15.39

-11.27
6 LMLIDV

3.67

-14.83

-11.16
7 MELILV

3.09

-14.24

-11.15
8 MELIEV

3.15

-14.13

-10.98
9 MELIDV

3.05

-13.96

-10.91
10 LMIIDV

3.99

-14.79

-10.8
11 LEIIDV

3.76

-14.3

-10.54
12 LELIEV

3.72

-14.23

-10.51
13 LELIDV

3.58

-13.79

-10.21
14 MEIILV

3.55

-13.73

-10.18
15 MELTDV

3.28

-13.45

-10.17
16 LDLIDV

3.8

-13.89

-10.09
17 PEIIDV

3.48

-13.51

-10.03
18 LEWIDV

3.63

-13.6

-9.97
19 LEIILV

4.29

-14.26

-9.97
20 LEIIEV

3.66

-13.55

-9.89
21 MELTEV

3.12

-12.91

-9.79
22 LEITLV

3.67

-13.36

-9.69
23 MEITDV

3.31

-12.96

-9.65
24 LELILV

3.81

-13.37

-9.56
25 LDIIDV

4.05

-13.43

-9.38
26 LELTDV

3.77

-13.11

-9.34
27 LELTEV

3.66

-12.96

-9.3
28 LELTLV

3.71

-12.53

-8.82
29 LEITDV

3.94

-12.53

-8.59
30 LEITEV

3.91

-12.09

-8.18

 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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