Predicted ligand sequences (modelled structure)


ADAN-name: YSC84_1CSK-21.PDB (view again the scoring matrix)

Starting poly-Ala ligand sequence and binding properties                 (Help)

position 1 2 3 4 5 6 7 8 9 10
poly-Ala
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 4.601 ΔGbinding -1.218
TOTAL
 3.383
Backbone Hb -0.637 Cis_bond 0.000
Sidechain Hb -0.637 Torsional clash 0.282
Van der Waals -2.890 Backbone clash 0.330
Electrostatics 0.043 Helix dipole 0.000
Solvation Polar 3.070 Water bridges -0.082
Solvation Hyd -4.011 Disulfide 0.000
VdW clashes 0.644 Electrost. Kon 0.029
Entropy sc 0.268 Part.cov.bonds 0.000
Entropy mc

2.702

 ΔGstability

34.521
       

Predicted ligand sequences for model [YSC84_1CSK-21.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).
 
  YSC84_1CSK-21.PDB  

(data)
# Predicted Sequences Value Calculate
1 HFRMHRPHMI 0.0
2 HFRMHRPHRI 0.0
3 HFRMHRPHMH 0.01
4 HFRMHRPHRH 0.01
5 HFRMHRPHMK 0.02
6 HFRMHRPHRK 0.02
7 HRRMHRPHMI 0.03
8 HRRMHRPHRI 0.03
9 HRRMHRPHMH 0.04
10 HRRMHRPHRH 0.04
11 HFRMGRPHRI 0.04
12 HFRMHMPHMI 0.05
13 HFRMHMPHRI 0.05
14 HFRMGRPHMI 0.05
15 HFRMHHPHRI 0.05
16 HFRMHHPHMI 0.05
17 HFRMHMPHMH 0.06
18 HRRMHRPHMK 0.06
19 HFRMHMPHRH 0.06
20 HRRMHRPHRK 0.06
21 HFRMGRPHMH 0.06
22 HFRMGRPHRH 0.06
23 HFRMGRPHMK 0.07
24 HFRMHHPHRH 0.07
25 HFRMHHPHMH 0.07
26 HFRMGRPHRK 0.07
27 HFRMHMPHMK 0.08
28 HFRMHMPHRK 0.08
29 HRRMGRPHMI 0.08
30 HRRMGRPHRI 0.08
31 HFRMHHPHRK 0.08
32 HRRMHMPHRI 0.08
33 HFRMHHPHMK 0.08
34 HRRMGRPHMH 0.09
35 HRRMHHPHRI 0.09
36 HRRMGRPHRH 0.09
37 HRRMHMPHMI 0.09
38 HRRMHHPHMI 0.09
39 HRRMGRPHMK 0.1
40 HRRMHHPHRH 0.1
41 HRRMGRPHRK 0.1
42 HFRMGHPHRI 0.1
43 HFRMGMPHRI 0.1
44 HFRMGMPHMI 0.1
45 HFRMRRPHRI 0.1
46 HFRMGHPHMI 0.1
47 HRRMHMPHRH 0.1
48 HFRMRRPHMI 0.1
49 HRRMHMPHMH 0.1
50 HRRMHHPHMH 0.1
51 EFRMHRPHMI 0.11
52 HRRMHHPHRK 0.11
53 HFRMGHPHRH 0.11
54 HFRMGMPHRH 0.11
55 HFRMGMPHMH 0.11
56 HFRMRRPHRH 0.11
57 HFRMGHPHMH 0.11
58 HRRMHMPHRK 0.11
59 HFRMRRPHMH 0.11
60 HRRMHMPHMK 0.11
61 EFRMHRPHRI 0.11
62 HRRMHHPHMK 0.11
63 EFRMHRPHMH 0.12
64 HFRMGHPHRK 0.12
65 HFRMGMPHRK 0.12
66 HFRMGMPHMK 0.12
67 HFRMRRPHRK 0.12
68 HFRMGHPHMK 0.12
69 HFRMRRPHMK 0.12
70 EFRMHRPHRH 0.12
71 HRRMGMPHMI 0.13
72 HRRMRRPHMI 0.13
73 HRRMGMPHRI 0.13
74 HRRMRRPHRI 0.13
75 HRRMGHPHMI 0.13
76 HRRMGHPHRI 0.13
77 EFRMHRPHMK 0.14
78 HRRMGMPHMH 0.14
79 HRRMRRPHMH 0.14
80 HRRMGMPHRH 0.14
81 HRRMRRPHRH 0.14
82 HRRMGHPHMH 0.14
83 HRRMGHPHRH 0.14
84 EFRMHRPHRK 0.14
85 HFRMRMPHMI 0.15
86 ERRMHRPHMI 0.15
87 HRRMGMPHMK 0.15
88 HFRMRHPHRI 0.15
89 HRRMGMPHRK 0.15
90 HFRMRMPHRI 0.15
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 HFRMGRPHMH

3.6

-7.66

-4.06
2 HFRMGRPHRK

4.04

-7.8

-3.76
3 HFRMGRPHRI

5.0

-7.91

-2.91
4 HRRMGRPHRI

4.66

-7.46

-2.8
5 HFRMGRPHMI

4.33

-6.92

-2.59
6 HRRMGRPHMI

4.79

-7.13

-2.34
7 HFRMGRPHMK

4.48

-6.82

-2.34
8 HFRMHRPHMI

5.71

-7.97

-2.26
9 HRRMHRPHRK

5.1

-7.26

-2.16
10 HFRMGRPHRH

3.71

-5.79

-2.08
11 HFRMHMPHMH

5.96

-7.91

-1.95
12 HFRMHRPHRK

5.87

-7.8

-1.93
13 HRRMHRPHMH

5.41

-7.3

-1.89
14 HFRMHMPHRK

5.77

-7.65

-1.88
15 HFRMHRPHRI

5.9

-7.74

-1.84
16 HFRMHRPHMK

5.5

-7.31

-1.81
17 HFRMHMPHRH

5.57

-7.2

-1.63
18 HFRMHRPHRH

5.57

-7.05

-1.48
19 HFRMHRPHMH

5.43

-6.79

-1.36
20 HRRMHRPHMK

5.09

-6.4

-1.31
21 HFRMHHPHMH

5.85

-6.96

-1.11
22 HFRMHMPHMI

6.21

-7.21

-1.0
23 HFRMHHPHRH

6.16

-7.13

-0.97
24 HFRMHHPHMI

6.13

-6.96

-0.83
25 HRRMHRPHMI

6.14

-6.63

-0.49
26 HFRMHMPHMK

6.23

-6.71

-0.48
27 HFRMHHPHRI

6.18

-6.41

-0.23
28 HFRMHMPHRI

5.94

-5.96

-0.02
29 HRRMHRPHRH

5.18

-4.72

0.46
30 HRRMHRPHRI

5.72

-4.86

0.86

 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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