Predicted ligand sequences


ADAN-name: 1PJM2.PDB (view again the scoring matrix)

PDB name: [1PJM.PDB]

Wild-type ligand sequence and binding properties                 (Help)

WT C G K R S A E G S N P P K P L K K L R G
position 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20
poly-Ala A
G
A
A
A
A
 A
G
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 8.977 ΔGbinding -31.553
TOTAL
 -22.576
Backbone Hb -10.100 Cis_bond 0.000
Sidechain Hb -18.250 Torsional clash 3.177
Van der Waals -23.585 Backbone clash 2.293
Electrostatics -9.116 Helix dipole -0.182
Solvation Polar 37.966 Water bridges -0.488
Solvation Hyd -26.739 Disulfide 0.000
VdW clashes 1.545 Electrost. Kon -4.128
Entropy sc 10.737 Part.cov.bonds 0.000
Entropy mc

7.611

 ΔGstability

-55.136
       

Predicted ligand sequences for template [1PJM2.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).
 
  1PJM2.PDB  

(data)
# Predicted Sequences Value Calculate
1 HGRRRRHGGSPDRTRKMMFY 0.0
2 HGRRRRRGGSPDRTRKMMFY 0.03
3 HGRRRRHGGSsDRTRKMMFY 0.14
4 YGRRRRHGGSPDRTRKMMFY 0.14
5 YGRRRRRGGSPDRTRKMMFY 0.17
6 HGRRRRRGGSsDRTRKMMFY 0.17
7 HGRRRRsGGSPDRTRKMMFY 0.19
8 HGRRRRHGGSPDRTRKMIFY 0.19
9 HGRRRRHGGSPDRTRKMMFM 0.22
10 HGRRRRRGGSPDRTRKMIFY 0.22
11 HGRRRRHGGSDDRTRKMMFY 0.24
12 HGRRRRRGGSPDRTRKMMFM 0.25
13 HGRRRRRGGSDDRTRKMMFY 0.26
14 HGRRRRHGGSPDRTRKKMFY 0.27
15 HGRRRRHGGSPDRHRKMMFY 0.27
16 HRRRRRHGGSPDRTRKMMFY 0.28
17 HGRRRRHGGSPDRTRKMLFY 0.28
18 YGRRRRHGGSsDRTRKMMFY 0.29
19 HGRRRRRGGSPDRTRKKMFY 0.3
20 HGRRRRRGGSPDRHRKMMFY 0.3
21 HGRRRRRGGSPDRTRKMLFY 0.31
22 HRRRRRRGGSPDRTRKMMFY 0.31
23 YGRRRRRGGSsDRTRKMMFY 0.31
24 NGRRRRHGGSPDRTRKMMFY 0.32
25 YGRRRRsGGSPDRTRKMMFY 0.33
26 YGRRRRHGGSPDRTRKMIFY 0.33
27 HGRRRRsGGSsDRTRKMMFY 0.33
28 HGRRRRHGGSPDRTRKLMFY 0.33
29 HGRRRRHGGSsDRTRKMIFY 0.34
30 NGRRRRRGGSPDRTRKMMFY 0.34
31 HGRRRRRGGSsDRTRKMIFY 0.36
32 HGRRRRRGGSPDRTRKLMFY 0.36
33 YGRRRRRGGSPDRTRKMIFY 0.36
34 YGRRRRHGGSPDRTRKMMFM 0.36
35 HGRRRRHGGSsDRTRKMMFM 0.37
36 HGRRRRsGGSPDRTRKMIFY 0.38
37 YGRRRRHGGSDDRTRKMMFY 0.38
38 YGRRRRRGGSPDRTRKMMFM 0.39
39 HGRRRRRGGSsDRTRKMMFM 0.4
40 YGRRRRRGGSDDRTRKMMFY 0.4
41 HGRRRRsGGSPDRTRKMMFM 0.41
42 HGRRRRHGGSsDRHRKMMFY 0.41
43 YGRRRRHGGSPDRHRKMMFY 0.41
44 HGRRRRHGGSPDRTRKMIFM 0.41
45 YGRRRRHGGSPDRTRKKMFY 0.41
46 YGRRRRHGGSPDRTRKMLFY 0.42
47 HGRRRRHGGSsDRTRKKMFY 0.42
48 YRRRRRHGGSPDRTRKMMFY 0.42
49 HGRRRRHGGSDDRTRKMIFY 0.43
50 HRRRRRHGGSsDRTRKMMFY 0.43
51 HGRRRRsGGSDDRTRKMMFY 0.43
52 HGRRRRHGGSsDRTRKMLFY 0.43
53 HGRRRRRGGSsDRHRKMMFY 0.44
54 HGRRRRRGGSPDRTRKMIFM 0.44
55 YGRRRRRGGSPDRTRKKMFY 0.44
56 YGRRRRRGGSPDRHRKMMFY 0.44
57 HGRRRRRGGSsDRTRKKMFY 0.45
58 YGRRRRRGGSPDRTRKMLFY 0.45
59 HGRRRRRGGSsDRTRKMLFY 0.45
60 YRRRRRRGGSPDRTRKMMFY 0.45
61 HGRRRRHGGSPDRTRKMMFR 0.46
62 HRRRRRRGGSsDRTRKMMFY 0.46
63 HGRRRRRGGSDDRTRKMIFY 0.46
64 HGRRRRHGGSPDRHRKMIFY 0.46
65 HGRRRRsGGSPDRHRKMMFY 0.46
66 NGRRRRHGGSsDRTRKMMFY 0.46
67 HGRRRRsGGSPDRTRKKMFY 0.46
68 HGRRRRHGGSPDRTRKKIFY 0.46
69 HGRRRRHGGSDDRTRKMMFM 0.46
70 HGRRRRsGGSPDRTRKMLFY 0.47
71 YGRRRRHGGSPDRTRKLMFY 0.47
72 HRRRRRHGGSPDRTRKMIFY 0.47
73 HRRRRRsGGSPDRTRKMMFY 0.47
74 YGRRRRsGGSsDRTRKMMFY 0.47
75 YGRRRRHGGSsDRTRKMIFY 0.48
76 HGRRRRHGGSsDRTRKLMFY 0.48
77 NGRRRRRGGSsDRTRKMMFY 0.49
78 HGRRRRRGGSDDRTRKMMFM 0.49
79 HGRRRRRGGSPDRTRKKIFY 0.49
80 HGRRRRHGGSPDRTRKKMFM 0.49
81 HGRRRRHLGSPDRTRKMMFY 0.49
82 HGRRRRRGGSPDRTRKMMFR 0.49
83 HGRRRRHGGSPDRHRKMMFM 0.49
84 HGRRRRRGGSPDRHRKMIFY 0.49
85 YGRRRRRGGSPDRTRKLMFY 0.5
86 HGRRRRHGGSDDRHRKMMFY 0.5
87 HGRRRRHGGSPDRTRKMLFM 0.5
88 HRRRRRRGGSPDRTRKMIFY 0.5
89 NGRRRRsGGSPDRTRKMMFY 0.51
90 HGRRRRHGGSDDRTRKKMFY 0.51
  (binding_energy)(dif)  (stability_energy)(dif)

(data)

  

(Help)
# Precalculated Models Intraclash ΔGbinding Total
1 NGRRRRRGGSPDRTRKMMFY

8.28

-39.25

-30.97
2 HGRRRRHGGSPDRTRKMIFY

8.95

-39.57

-30.62
3 HRRRRRHGGSPDRTRKMMFY

8.07

-37.45

-29.38
4 YGRRRRHGGSPDRTRKMMFY

7.55

-36.4

-28.85
5 HGRRRRHGGSPDRTRKKMFY

8.67

-37.18

-28.51
6 HGRRRRHGGSPDRTRKMMFY

7.99

-36.02

-28.03
7 HGRRRRRGGSPDRTRKKMFY

6.74

-34.69

-27.95
8 HGRRRRHGGSPDRHRKMMFY

9.89

-37.73

-27.84
9 HGRRRRHGGSDDRTRKMMFY

6.66

-34.14

-27.48
10 HGRRRRHGGSPDRTRKMLFY

7.47

-34.24

-26.77
11 HGRRRRHGGSsDRTRKMMFY

6.73

-33.12

-26.39
12 HGRRRRsGGSPDRTRKMMFY

9.35

-35.67

-26.32
13 HRRRRRRGGSPDRTRKMMFY

11.48

-37.08

-25.6
14 YGRRRRHGGSsDRTRKMMFY

6.96

-31.95

-24.99
15 HGRRRRsGGSsDRTRKMMFY

9.5

-34.02

-24.52
16 HGRRRRHGGSPDRTRKLMFY

8.7

-32.39

-23.69
17 YGRRRRsGGSPDRTRKMMFY

9.46

-32.68

-23.22
18 HGRRRRHGGSPDRTRKMMFM

8.46

-31.53

-23.07
19 YGRRRRRGGSPDRTRKMMFY

8.3

-30.22

-21.92
20 HGRRRRRGGSPDRHRKMMFY

8.49

-29.85

-21.36
21 NGRRRRHGGSPDRTRKMMFY

7.61

-28.88

-21.27
22 HGRRRRRGGSPDRTRKMIFY

13.7

-34.96

-21.26
23 HGRRRRRGGSsDRTRKMMFY

6.93

-28.17

-21.24
24 HGRRRRRGGSPDRTRKMLFY

10.56

-30.9

-20.34
25 HGRRRRRGGSDDRTRKMMFY

5.93

-25.82

-19.89
26 YGRRRRRGGSsDRTRKMMFY

7.02

-26.5

-19.48
27 HGRRRRRGGSPDRTRKMMFM

10.25

-28.98

-18.73
28 HGRRRRHGGSsDRTRKMIFY

9.5

-27.76

-18.26
29 HGRRRRRGGSPDRTRKMMFY

6.37

-24.56

-18.19
30 YGRRRRHGGSPDRTRKMIFY

12.37

-26.8

-14.43

 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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