Predicted ligand sequences (modelled structure)


ADAN-name: SLA1-D3_1CSK-15.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
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 4.518 ΔGbinding 5.171
TOTAL
 9.689
Backbone Hb -0.638 Cis_bond 0.000
Sidechain Hb -0.638 Torsional clash 0.444
Van der Waals -4.387 Backbone clash 0.185
Electrostatics 0.136 Helix dipole 0.000
Solvation Polar 6.797 Water bridges 0.000
Solvation Hyd -5.911 Disulfide 0.000
VdW clashes 3.991 Electrost. Kon 0.016
Entropy sc 1.225 Part.cov.bonds 0.000
Entropy mc

4.135

 ΔGstability

44.322
       

Predicted ligand sequences for model [SLA1-D3_1CSK-15.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).
 
  SLA1-D3_1CSK-15.PDB  

(data)
# Predicted Sequences Value Calculate
1 RFFIIHKSK 0.0
2 RFHIIHKSK 0.03
3 RFFRIHKSK 0.03
4 RFWIIHKSK 0.04
5 RFHRIHKSK 0.06
6 RFFIWHKSK 0.06
7 RFWRIHKSK 0.07
8 RFHIWHKSK 0.08
9 RFFRWHKSK 0.09
10 RFWIWHKSK 0.1
11 RFFIIHRSK 0.12
12 RFFIIHESK 0.12
13 RFHRWHKSK 0.12
14 RFWRWHKSK 0.13
15 RFHIIHESK 0.15
16 RFFRIHESK 0.15
17 RFHIIHRSK 0.15
18 RFFIIRKSK 0.16
19 RFWIIHESK 0.16
20 RFFRIHRSK 0.16
21 RFWIIHRSK 0.17
22 RFHIIRKSK 0.18
23 RFFIWHRSK 0.18
24 RFFIWHESK 0.18
25 YFFIIHKSK 0.18
26 RFHRIHESK 0.18
27 RFHRIHRSK 0.18
28 RFFIKHKSK 0.19
29 RFFRIRKSK 0.19
30 RFWRIHRSK 0.2
31 RFWRIHESK 0.2
32 RFWIIRKSK 0.2
33 RFFIWRKSK 0.21
34 RFFRWHESK 0.21
35 RFFRWHRSK 0.21
36 YFFRIHKSK 0.21
37 RFHIWHRSK 0.21
38 RFHIWHESK 0.21
39 YFHIIHKSK 0.21
40 RFHRIRKSK 0.22
41 YFWIIHKSK 0.22
42 RFWIWHESK 0.22
43 RFHIKHKSK 0.22
44 RFFRKHKSK 0.22
45 RFWIKHKSK 0.23
46 RFWIWHRSK 0.23
47 RFWRIRKSK 0.23
48 RFHIWRKSK 0.24
49 RFHRWHRSK 0.24
50 YFHRIHKSK 0.24
51 RFFIIKKSK 0.24
52 YFFIWHKSK 0.24
53 RFHRWHESK 0.24
54 RFWRWHESK 0.25
55 RFFRWRKSK 0.25
56 RFHRKHKSK 0.25
57 RFWRWHRSK 0.26
58 YFWRIHKSK 0.26
59 RFWIWRKSK 0.26
60 RFWRKHKSK 0.27
61 RFHIIKKSK 0.27
62 YFHIWHKSK 0.27
63 RFHRWRKSK 0.27
64 YFFRWHKSK 0.27
65 RFFRIKKSK 0.28
66 RFFIIRRSK 0.28
67 YFWIWHKSK 0.28
68 RFFIIRESK 0.28
69 RFWRWRKSK 0.29
70 RFWIIKKSK 0.29
71 RFFIWKKSK 0.3
72 YFFIIHESK 0.3
73 RFHRIKKSK 0.3
74 YFHRWHKSK 0.3
75 YFWRWHKSK 0.31
76 YFFIIHRSK 0.31
77 RFHIIRRSK 0.31
78 RFFRIRESK 0.31
79 RFFIKHESK 0.31
80 RFHIIRESK 0.31
81 RFFIKHRSK 0.32
82 RFWIIRESK 0.32
83 RFFRIRRSK 0.32
84 RFWRIKKSK 0.32
85 RFHIWKKSK 0.33
86 YFHIIHESK 0.33
87 YFHIIHRSK 0.33
88 RFFRWKKSK 0.33
89 RFWIIRRSK 0.33
90 RFHRIRRSK 0.34
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

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# Precalculated Models Intraclash ΔGbinding Total
1 RFHRIHKSK

3.94

-9.17

-5.23
2 RFFIKHKSK

2.95

-7.71

-4.76
3 RFFRIHKSK

4.46

-9.15

-4.69
4 RFWRIHKSK

4.74

-8.89

-4.15
5 RFHIIRKSK

3.85

-7.7

-3.85
6 RFHRWHKSK

3.9

-7.45

-3.55
7 RFHIWHKSK

3.63

-7.12

-3.49
8 RFHIIHKSK

3.77

-7.18

-3.41
9 RFFIIHKSK

3.76

-7.1

-3.34
10 RFWRWHKSK

3.52

-6.76

-3.24
11 RFHIIHESK

3.79

-7.02

-3.23
12 RFWIIHRSK

4.49

-7.62

-3.13
13 RFFIIRKSK

3.85

-6.88

-3.03
14 RFFIWHRSK

3.8

-6.79

-2.99
15 RFFIIHESK

4.47

-7.17

-2.7
16 RFWIWHKSK

3.95

-6.38

-2.43
17 RFFIIHRSK

4.28

-6.68

-2.4
18 RFHRIHRSK

3.95

-6.31

-2.36
19 RFWIIHESK

4.86

-7.18

-2.32
20 RFHIIHRSK

3.91

-6.17

-2.26
21 RFFRIRKSK

5.06

-7.2

-2.14
22 RFFRWHKSK

3.92

-6.0

-2.08
23 RFFIWHESK

3.76

-5.64

-1.88
24 RFWIIHKSK

4.48

-6.32

-1.84
25 RFFIWHKSK

3.91

-5.75

-1.84
26 RFWRIHRSK

4.39

-6.16

-1.77
27 RFHRIHESK

3.86

-5.62

-1.76
28 YFFIIHKSK

4.5

-6.24

-1.74
29 RFFRIHRSK

4.49

-5.91

-1.42
30 RFFRIHESK

4.43

-5.61

-1.18

 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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