Ntox37 - PFAM28P - GREMLIN Contacts

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Ntox37 - Bacterial toxin 37

PFAM:	PF15535	Sequences: TKPPGEGWEWRGKGPPGSGKGGWYNPKTGESLHLNHPDPGRYGIGPHWDYQDPDGGYWRVYPDG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	64 (58)
Sequences:	537 (467)
Seq/√Len:	61.3
META:	0.937

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
14_G	18_S	3.523	1.00
51_Q	57_Y	2.999	1.00
44_I	59_R	2.680	1.00
52_D	58_W	2.545	1.00
25_N	28_T	2.533	1.00
52_D	56_G	2.417	1.00
49_D	59_R	1.908	1.00
7_G	27_K	1.850	1.00
30_E	50_Y	1.753	0.99
36_H	39_P	1.734	0.99
44_I	49_D	1.694	0.99
14_G	20_K	1.588	0.99
3_P	6_E	1.573	0.99
45_G	62_P	1.550	0.99
11_R	24_Y	1.388	0.97
22_G	57_Y	1.368	0.97
24_Y	31_S	1.332	0.96
13_K	20_K	1.331	0.96
19_G	22_G	1.287	0.95
22_G	51_Q	1.251	0.95
5_G	8_W	1.246	0.95
5_G	23_W	1.237	0.94
61_Y	64_G	1.225	0.94
6_E	15_P	1.220	0.94
18_S	21_G	1.160	0.92
53_P	56_G	1.067	0.89
39_P	44_I	1.018	0.86
24_Y	28_T	0.976	0.84
34_L	48_W	0.961	0.83
8_W	32_L	0.941	0.81
38_D	46_P	0.918	0.80
24_Y	51_Q	0.911	0.79
52_D	55_G	0.858	0.75
30_E	33_H	0.846	0.74
32_L	60_V	0.822	0.72
16_P	19_G	0.820	0.72
6_E	27_K	0.803	0.70
28_T	32_L	0.801	0.70
3_P	52_D	0.790	0.69
34_L	39_P	0.789	0.69
8_W	58_W	0.783	0.68
51_Q	55_G	0.780	0.68
25_N	31_S	0.779	0.68
36_H	44_I	0.775	0.67
13_K	27_K	0.749	0.65
27_K	38_D	0.744	0.64
52_D	60_V	0.725	0.62
37_P	53_P	0.720	0.62
60_V	64_G	0.713	0.61
33_H	55_G	0.704	0.60
26_P	31_S	0.692	0.58
34_L	60_V	0.690	0.58
37_P	45_G	0.673	0.56
22_G	31_S	0.670	0.56
17_G	22_G	0.668	0.56
51_Q	54_D	0.663	0.55
36_H	46_P	0.663	0.55
13_K	19_G	0.661	0.55
13_K	18_S	0.654	0.54
13_K	56_G	0.641	0.53
12_G	16_P	0.631	0.52
9_E	20_K	0.621	0.51
16_P	23_W	0.620	0.50
58_W	61_Y	0.616	0.50
23_W	32_L	0.609	0.49
4_P	23_W	0.604	0.49
35_N	38_D	0.600	0.48
3_P	26_P	0.598	0.48
22_G	33_H	0.593	0.47
59_R	64_G	0.584	0.46
48_W	60_V	0.571	0.45
3_P	45_G	0.560	0.44
3_P	48_W	0.560	0.44
20_K	61_Y	0.558	0.43
23_W	37_P	0.558	0.43
8_W	26_P	0.555	0.43
35_N	56_G	0.551	0.43
23_W	48_W	0.545	0.42
59_R	63_D	0.544	0.42
22_G	49_D	0.519	0.39
45_G	64_G	0.514	0.39
44_I	61_Y	0.514	0.39
58_W	63_D	0.507	0.38
10_W	50_Y	0.506	0.38
3_P	15_P	0.505	0.38
10_W	21_G	0.500	0.37
30_E	53_P	0.500	0.37

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
1e0nA	1	0.4219	5	0.9	Contact Map
3iaiA	3	0.3438	2.2	0.916	Contact Map
1xu0A	1	0.3906	2	0.917	Contact Map
3uajB	2	0	1.8	0.92	Contact Map
2xqyA	1	0	1.8	0.92	Contact Map
4besA	2	0.375	1.8	0.92	Contact Map
2p23A	1	0.2188	1.7	0.921	Contact Map
2vxrA	1	0	1.7	0.922	Contact Map
4xhjA	1	0	1.5	0.923	Contact Map
2dk7A	1	0.7812	1.5	0.924	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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