Ntox50 - PFAM28P - GREMLIN Contacts

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Ntox50 - Bacterial toxin 50

PFAM:	PF15542	Sequences: NPGKQGKHIPGTNNYEQYRKKELIKGRSGPSYLTISTEDAQELVDKYAGTGEIIGTKKGKWGNKERVDFGKIIGVYVDPKTGKYTPTTRGTIHYSKTGAHIVPAI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	105 (95)
Sequences:	884 (777)
Seq/√Len:	79.7
META:	0.83

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
41_Q	45_D	3.782	1.00
6_G	12_T	3.565	1.00
66_R	91_T	3.246	1.00
93_H	102_V	3.038	1.00
44_V	99_A	2.535	1.00
69_F	90_G	2.350	1.00
6_G	14_N	2.337	1.00
3_G	7_K	2.175	1.00
33_L	40_A	1.966	1.00
3_G	13_N	1.952	1.00
65_E	94_Y	1.846	1.00
49_G	65_E	1.832	1.00
75_V	86_P	1.823	1.00
4_K	95_S	1.725	1.00
75_V	84_Y	1.650	1.00
36_S	39_D	1.616	1.00
78_D	81_T	1.613	1.00
3_G	14_N	1.607	1.00
56_T	60_K	1.565	1.00
91_T	104_A	1.549	0.99
68_D	89_R	1.520	0.99
72_I	88_T	1.472	0.99
2_P	6_G	1.456	0.99
42_E	46_K	1.450	0.99
54_I	66_R	1.427	0.99
76_Y	85_T	1.418	0.99
73_I	90_G	1.398	0.99
10_P	32_Y	1.258	0.98
68_D	88_T	1.171	0.96
35_I	40_A	1.156	0.96
54_I	91_T	1.149	0.96
51_G	65_E	1.142	0.96
66_R	104_A	1.131	0.96
49_G	94_Y	1.125	0.95
64_K	91_T	1.122	0.95
50_T	65_E	1.110	0.95
76_Y	104_A	1.089	0.95
66_R	89_R	1.073	0.94
77_V	84_Y	1.070	0.94
39_D	71_K	1.063	0.94
35_I	39_D	1.049	0.93
58_K	63_N	1.049	0.93
15_Y	77_V	1.048	0.93
53_I	63_N	1.036	0.93
44_V	101_I	1.030	0.93
7_K	14_N	1.023	0.93
4_K	7_K	1.021	0.92
52_E	66_R	1.011	0.92
5_Q	9_I	0.982	0.91
100_H	103_P	0.974	0.91
43_L	90_G	0.972	0.91
24_I	27_R	0.961	0.90
15_Y	32_Y	0.947	0.89
89_R	104_A	0.933	0.89
44_V	47_Y	0.924	0.88
27_R	30_P	0.915	0.88
72_I	86_P	0.914	0.88
46_K	71_K	0.883	0.86
57_K	60_K	0.877	0.85
78_D	83_K	0.871	0.85
43_L	101_I	0.866	0.85
47_Y	50_T	0.856	0.84
67_V	90_G	0.854	0.84
48_A	99_A	0.850	0.84
9_I	12_T	0.838	0.83
41_Q	99_A	0.837	0.83
50_T	94_Y	0.835	0.82
7_K	97_T	0.797	0.79
35_I	38_E	0.795	0.79
39_D	42_E	0.790	0.79
69_F	73_I	0.789	0.79
48_A	65_E	0.788	0.79
15_Y	84_Y	0.783	0.78
50_T	67_V	0.781	0.78
54_I	62_G	0.778	0.78
47_Y	90_G	0.776	0.78
33_L	36_S	0.769	0.77
56_T	62_G	0.760	0.76
23_L	26_G	0.760	0.76
29_G	32_Y	0.759	0.76
78_D	82_G	0.758	0.76
69_F	88_T	0.745	0.75
42_E	45_D	0.738	0.74
6_G	13_N	0.730	0.73
30_P	33_L	0.728	0.73
33_L	37_T	0.725	0.73
47_Y	70_G	0.722	0.72
79_P	82_G	0.707	0.71
32_Y	75_V	0.704	0.70
90_G	101_I	0.701	0.70
51_G	94_Y	0.700	0.70
4_K	10_P	0.688	0.69
7_K	13_N	0.675	0.67
77_V	102_V	0.673	0.67
37_T	71_K	0.673	0.67
91_T	102_V	0.672	0.67
37_T	40_A	0.672	0.67
64_K	93_H	0.666	0.66
47_Y	92_I	0.662	0.66
5_Q	8_H	0.659	0.65
34_T	39_D	0.659	0.65
76_Y	91_T	0.655	0.65
43_L	73_I	0.649	0.64
8_H	100_H	0.639	0.63
68_D	90_G	0.638	0.63
76_Y	81_T	0.636	0.63
43_L	69_F	0.626	0.61
72_I	75_V	0.624	0.61
2_P	37_T	0.623	0.61
46_K	67_V	0.619	0.61
4_K	97_T	0.616	0.60
41_Q	44_V	0.606	0.59
34_T	86_P	0.595	0.58
55_G	63_N	0.589	0.57
26_G	29_G	0.587	0.57
32_Y	84_Y	0.587	0.57
39_D	43_L	0.581	0.56
76_Y	79_P	0.579	0.55
77_V	81_T	0.575	0.55
4_K	14_N	0.570	0.54
48_A	94_Y	0.566	0.54
31_S	34_T	0.562	0.53
48_A	53_I	0.560	0.53
58_K	61_W	0.550	0.52
96_K	100_H	0.548	0.51
80_K	83_K	0.547	0.51
77_V	80_K	0.545	0.51
40_A	101_I	0.539	0.50
40_A	43_L	0.538	0.50
45_D	99_A	0.538	0.50
34_T	75_V	0.536	0.50
2_P	10_P	0.532	0.49
29_G	33_L	0.532	0.49
51_G	92_I	0.525	0.49
3_G	6_G	0.519	0.48
42_E	75_V	0.517	0.47
38_E	42_E	0.517	0.47
6_G	37_T	0.510	0.47
52_E	55_G	0.505	0.46
2_P	12_T	0.503	0.46
53_I	62_G	0.500	0.45
34_T	40_A	0.500	0.45

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
3gnzP	1	0.381	6.3	0.923	Contact Map
3st1A	1	0.3714	5.4	0.925	Contact Map
1fmjA	1	0.6952	4.9	0.927	Contact Map
2w2aA	2	0.6857	4.8	0.927	Contact Map
3j7aU	1	0.7429	4.5	0.928	Contact Map
3zeyG	1	0.7048	4.4	0.928	Contact Map
4ujpO	1	0.7048	4	0.93	Contact Map
1vblA	1	0.5143	3.8	0.931	Contact Map
1pclA	1	0.5048	3.7	0.931	Contact Map
4bpeO	1	0.6857	3.6	0.931	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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