Predicted ligand sequences


ADAN-name: 1MK22.PDB (view again the scoring matrix)

PDB name: [1MK2.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT Q A S G A L S S P P P T V M V P V G
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18
poly-Ala A
A
A
G
A
 A
A
A
 A A
A
A
A
 A
A
 A A G

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 6.230 ΔGbinding -11.407
TOTAL
 -5.177
Backbone Hb -6.375 Cis_bond 0.000
Sidechain Hb -1.237 Torsional clash 2.845
Van der Waals -15.649 Backbone clash 1.159
Electrostatics 0.072 Helix dipole -0.017
Solvation Polar 15.948 Water bridges 0.083
Solvation Hyd -24.961 Disulfide 0.000
VdW clashes 9.436 Electrost. Kon 0.330
Entropy sc 1.985 Part.cov.bonds 0.000
Entropy mc

6.134

 ΔGstability

68.480
       

Predicted ligand sequences for template [1MK22.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).
 
  1MK22.PDB  

(data)
# Predicted Sequences Value Calculate
1 WPNKHIKRPHRWIFCMSQ 0.0
2 WPNKHIKRPHRWIFCMSK 0.0
3 WPHKHIKRPHRWIFCMSK 0.0
4 WPHKHIKRPHRWIFCMSQ 0.0
5 WPNKHIKRPHRWIFCMSC 0.01
6 WPHKHIKRPHRWIFCMSC 0.01
7 WPHRHIKRPHRWIFCMSK 0.02
8 WPHRHIKRPHRWIFCMSQ 0.02
9 WPNRHIKRPHRWIFCMSQ 0.02
10 WPNRHIKRPHRWIFCMSK 0.02
11 WPHKHIRRPHRWIFCMSQ 0.03
12 WPHKHIRRPHRWIFCMSK 0.03
13 WPHRHIKRPHRWIFCMSC 0.03
14 WPNKHIRRPHRWIFCMSK 0.03
15 WPNKHIRRPHRWIFCMSQ 0.03
16 WPNRHIKRPHRWIFCMSC 0.03
17 WPHKHIRRPHRWIFCMSC 0.04
18 WPHKHKKRPHRWIFCMSC 0.04
19 WPHKHKKRPHRWIFCMSK 0.04
20 WPHKHKKRPHRWIFCMSQ 0.04
21 WPNKHIRRPHRWIFCMSC 0.04
22 WPNKHKKRPHRWIFCMSQ 0.04
23 WPNKHKKRPHRWIFCMSK 0.04
24 WPNKHIPRPHRWIFCMSK 0.05
25 WPNKHIPRPHRWIFCMSQ 0.05
26 WPNRHIRRPHRWIFCMSQ 0.05
27 WPNRHIRRPHRWIFCMSK 0.05
28 WPHRHIRRPHRWIFCMSK 0.05
29 WPHRHIRRPHRWIFCMSQ 0.05
30 WPNKHKKRPHRWIFCMSC 0.05
31 WPHKHIPRPHRWIFCMSK 0.05
32 WPHKHIPRPHRWIFCMSQ 0.05
33 WPNRHKKRPHRWIFCMSQ 0.06
34 WPNKHIPRPHRWIFCMSC 0.06
35 WPNRHKKRPHRWIFCMSK 0.06
36 WPNQHIKRPHRWIFCMSK 0.06
37 WPNRHIRRPHRWIFCMSC 0.06
38 WPHRHIRRPHRWIFCMSC 0.06
39 WPHRHKKRPHRWIFCMSK 0.06
40 WPHRHKKRPHRWIFCMSQ 0.06
41 WPNQHIKRPHRWIFCMSC 0.06
42 WPNQHIKRPHRWIFCMSQ 0.06
43 WPHKHIPRPHRWIFCMSC 0.06
44 WPHQHIKRPHRWIFCMSK 0.06
45 WPHQHIKRPHRWIFCMSC 0.06
46 WPHQHIKRPHRWIFCMSQ 0.06
47 WPNRHKKRPHRWIFCMSC 0.07
48 WPNKHKRRPHRWIFCMSQ 0.07
49 WPNKHKRRPHRWIFCMSK 0.07
50 WPHKHKRRPHRWIFCMSQ 0.07
51 WPHKHKRRPHRWIFCMSK 0.07
52 WPHRHKKRPHRWIFCMSC 0.07
53 WPHRHIPRPHRWIFCMSK 0.07
54 WPNRHIPRPHRWIFCMSQ 0.07
55 WPNRHIPRPHRWIFCMSK 0.07
56 WPHRHIPRPHRWIFCMSQ 0.07
57 WPNKHKRRPHRWIFCMSC 0.08
58 WPNKHIKRPHRWILCMSQ 0.08
59 WPNKHIKRPHRWILCMSK 0.08
60 WPNKHKPRPHRWIFCMSK 0.08
61 WPHKHKPRPHRWIFCMSQ 0.08
62 WPHKHKPRPHRWIFCMSK 0.08
63 WPHKHIKRPHRWILCMSC 0.08
64 WPHKHIKRPHRWILCMSK 0.08
65 WPHKHIKRPHRWILCMSQ 0.08
66 WPNRHIPRPHRWIFCMSC 0.08
67 WPHKHKRRPHRWIFCMSC 0.08
68 WPHRHIPRPHRWIFCMSC 0.08
69 WPNQHKKRPHRWIFCMSQ 0.09
70 WPNQHKKRPHRWIFCMSK 0.09
71 WPNQHIRRPHRWIFCMSQ 0.09
72 WPNQHIRRPHRWIFCMSK 0.09
73 WPNRHKRRPHRWIFCMSK 0.09
74 WPNRHKRRPHRWIFCMSQ 0.09
75 WPNKHIKRPHRWILCMSC 0.09
76 WPHQHIRRPHRWIFCMSC 0.09
77 WPHQHIRRPHRWIFCMSK 0.09
78 WPNKHKPRPHRWIFCMSQ 0.09
79 WPHKHKPRPHRWIFCMSC 0.09
80 WPHRHKRRPHRWIFCMSQ 0.09
81 WPHRHKRRPHRWIFCMSK 0.09
82 WPNKHKPRPHRWIFCMSC 0.09
83 WPHQHIRRPHRWIFCMSQ 0.09
84 WPHQHKKRPHRWIFCMSQ 0.09
85 WPHQHKKRPHRWIFCMSK 0.09
86 WPNQHKKRPHRWIFCMSC 0.1
87 WPNQHIRRPHRWIFCMSC 0.1
88 WPNRHKRRPHRWIFCMSC 0.1
89 WPHRHIKRPHRWILCMSK 0.1
90 WPHRHKRRPHRWIFCMSC 0.1
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 WPNKHIRRPHRWIFCMSC

8.0

-23.72

-15.72
2 WPNKHKKRPHRWIFCMSK

6.48

-22.07

-15.59
3 WPNRHIKRPHRWIFCMSK

7.79

-23.12

-15.33
4 WPNKHIRRPHRWIFCMSQ

7.24

-22.24

-15.0
5 WPNKHIPRPHRWIFCMSK

7.77

-22.61

-14.84
6 WPNKHKKRPHRWIFCMSQ

6.83

-21.26

-14.43
7 WPNRHIKRPHRWIFCMSC

6.89

-21.32

-14.43
8 WPHKHKKRPHRWIFCMSQ

6.62

-20.91

-14.29
9 WPNKHKKRPHRWIFCMSC

6.77

-21.01

-14.24
10 WPNKHIKRPHRWIFCMSQ

7.07

-21.13

-14.06
11 WPNRHIRRPHRWIFCMSQ

7.72

-21.73

-14.01
12 WPHKHKKRPHRWIFCMSC

6.61

-19.74

-13.13
13 WPNRHIKRPHRWIFCMSQ

7.77

-20.42

-12.65
14 WPNRHIRRPHRWIFCMSK

6.78

-19.14

-12.36
15 WPHRHIKRPHRWIFCMSQ

7.84

-20.11

-12.27
16 WPNKHIPRPHRWIFCMSQ

9.38

-21.44

-12.06
17 WPNKHIRRPHRWIFCMSK

7.6

-19.57

-11.97
18 WPHKHIKRPHRWIFCMSQ

8.04

-19.58

-11.54
19 WPHRHIRRPHRWIFCMSQ

7.98

-19.47

-11.49
20 WPHKHIRRPHRWIFCMSQ

7.98

-19.44

-11.46
21 WPHKHIKRPHRWIFCMSC

7.31

-18.77

-11.46
22 WPNKHIKRPHRWIFCMSC

7.59

-18.75

-11.16
23 WPHRHIKRPHRWIFCMSK

7.91

-19.04

-11.13
24 WPHKHIRRPHRWIFCMSC

7.75

-18.81

-11.06
25 WPNKHIKRPHRWIFCMSK

6.68

-17.4

-10.72
26 WPHRHIRRPHRWIFCMSK

8.27

-18.99

-10.72
27 WPHKHKKRPHRWIFCMSK

6.77

-17.15

-10.38
28 WPHKHIKRPHRWIFCMSK

7.83

-18.03

-10.2
29 WPHRHIKRPHRWIFCMSC

7.98

-18.01

-10.03
30 WPHKHIRRPHRWIFCMSK

8.12

-17.78

-9.66

 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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