Ntox15 - PFAM28P - GREMLIN Contacts

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Ntox15 - Novel toxin 15

PFAM:	PF15604	Sequences: KHDLKEFDRQLKGQEDGLNNLTVDEYLENREAYKKRGRAPEGAAAQKAARKKYQRKLEEALQKKLRELGKSGLSEAKKEAEKKAKEWMKTLAALHNPDMIAGGKDWLKDDVIGLGDRRVNSSIGSQWKSRVDELDEAAEKAPKEGRGKTKMNVKLT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_10
Length:	156 (148)
Sequences:	501 (431)
Seq/√Len:	35.4
META:	0.623

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
92_A	121_S	7.919	1.00
94_L	97_P	3.528	1.00
92_A	117_R	3.180	1.00
30_R	135_D	2.910	1.00
61_L	65_L	2.596	1.00
46_Q	50_R	2.498	1.00
17_G	97_P	2.429	1.00
109_D	112_I	2.269	0.99
152_N	155_L	2.137	0.99
87_W	91_L	2.063	0.99
18_L	134_L	2.058	0.99
12_K	16_D	2.024	0.98
26_Y	135_D	2.003	0.98
117_R	121_S	1.947	0.98
101_A	127_W	1.923	0.98
122_S	125_S	1.918	0.98
145_G	149_T	1.910	0.98
10_Q	14_Q	1.815	0.97
17_G	94_L	1.765	0.96
122_S	126_Q	1.734	0.96
24_D	28_E	1.706	0.95
64_K	68_L	1.701	0.95
44_A	48_A	1.701	0.95
141_A	145_G	1.669	0.95
17_G	96_N	1.668	0.95
13_G	96_N	1.594	0.93
13_G	94_L	1.550	0.92
22_T	25_E	1.533	0.92
72_G	75_E	1.523	0.92
80_A	84_A	1.520	0.92
79_E	82_K	1.505	0.91
6_E	9_R	1.492	0.91
20_N	150_K	1.474	0.90
65_L	69_G	1.429	0.89
136_E	140_K	1.419	0.89
145_G	148_K	1.409	0.88
31_E	35_K	1.406	0.88
33_Y	99_M	1.406	0.88
142_P	146_R	1.388	0.88
13_G	97_P	1.382	0.87
116_D	119_V	1.378	0.87
18_L	21_L	1.374	0.87
13_G	17_G	1.348	0.86
118_R	122_S	1.345	0.86
131_V	135_D	1.316	0.85
141_A	146_R	1.291	0.83
92_A	119_V	1.265	0.82
142_P	145_G	1.246	0.81
84_A	87_W	1.242	0.81
24_D	147_G	1.241	0.81
12_K	15_E	1.220	0.80
146_R	149_T	1.198	0.78
138_A	141_A	1.190	0.78
23_V	145_G	1.157	0.76
110_D	113_G	1.152	0.76
15_E	19_N	1.151	0.76
18_L	129_S	1.138	0.75
29_N	102_G	1.130	0.74
83_K	86_E	1.130	0.74
129_S	132_D	1.128	0.74
93_A	100_I	1.121	0.74
130_R	135_D	1.105	0.73
60_A	64_K	1.102	0.72
76_A	88_M	1.102	0.72
14_Q	115_G	1.093	0.72
94_L	115_G	1.072	0.70
26_Y	30_R	1.072	0.70
33_Y	38_R	1.042	0.68
141_A	149_T	1.037	0.68
12_K	24_D	1.037	0.68
96_N	116_D	1.033	0.67
45_A	50_R	1.010	0.66
95_H	124_G	0.999	0.65
95_H	98_D	0.997	0.65
46_Q	49_A	0.995	0.64
50_R	53_Y	0.985	0.64
27_L	31_E	0.984	0.63
38_R	46_Q	0.980	0.63
9_R	96_N	0.976	0.63
29_N	87_W	0.970	0.62
11_L	123_I	0.956	0.61
29_N	53_Y	0.954	0.61
50_R	57_L	0.949	0.61
98_D	124_G	0.948	0.61
37_G	122_S	0.943	0.60
93_A	101_A	0.943	0.60
38_R	50_R	0.938	0.60
15_E	93_A	0.886	0.55
7_F	126_Q	0.875	0.54
135_D	139_E	0.873	0.54
142_P	149_T	0.870	0.54
54_Q	58_E	0.862	0.53
82_K	86_E	0.862	0.53
108_K	112_I	0.860	0.53
14_Q	94_L	0.851	0.52
9_R	14_Q	0.848	0.52
72_G	76_A	0.847	0.52
138_A	145_G	0.846	0.52
42_G	45_A	0.844	0.52
102_G	127_W	0.834	0.51
16_D	20_N	0.833	0.51
9_R	13_G	0.830	0.51
133_E	136_E	0.815	0.49
33_Y	125_S	0.810	0.49
42_G	99_M	0.805	0.48
21_L	116_D	0.804	0.48
61_L	73_L	0.804	0.48
8_D	12_K	0.802	0.48
95_H	120_N	0.795	0.47
139_E	143_K	0.794	0.47
29_N	126_Q	0.793	0.47
55_R	59_E	0.790	0.47
57_L	67_E	0.787	0.47
22_T	94_L	0.780	0.46
109_D	113_G	0.775	0.46
41_E	46_Q	0.769	0.45
38_R	44_A	0.768	0.45
24_D	146_R	0.753	0.44
64_K	87_W	0.752	0.44
119_V	138_A	0.747	0.43
68_L	72_G	0.740	0.43
74_S	140_K	0.735	0.42
114_L	122_S	0.733	0.42
7_F	123_I	0.733	0.42
118_R	121_S	0.731	0.42
53_Y	57_L	0.721	0.41
52_K	56_K	0.715	0.41
57_L	65_L	0.715	0.41
93_A	151_M	0.714	0.41
22_T	26_Y	0.710	0.40
57_L	79_E	0.709	0.40
100_I	129_S	0.703	0.40
120_N	124_G	0.701	0.40
76_A	81_E	0.701	0.40
98_D	120_N	0.698	0.39
26_Y	99_M	0.697	0.39
66_R	70_K	0.692	0.39
59_E	78_K	0.684	0.38
33_Y	36_R	0.681	0.38
143_K	146_R	0.681	0.38
59_E	85_K	0.677	0.38
19_N	101_A	0.676	0.37
38_R	41_E	0.675	0.37
27_L	96_N	0.670	0.37
133_E	143_K	0.664	0.37
26_Y	84_A	0.663	0.36
96_N	114_L	0.663	0.36
91_L	114_L	0.660	0.36
33_Y	37_G	0.660	0.36
28_E	100_I	0.659	0.36
134_L	138_A	0.650	0.35
64_K	71_S	0.647	0.35
134_L	147_G	0.647	0.35
9_R	12_K	0.644	0.35
69_G	73_L	0.643	0.35
24_D	116_D	0.641	0.35
23_V	149_T	0.639	0.35
46_Q	54_Q	0.634	0.34
10_Q	115_G	0.630	0.34
84_A	114_L	0.630	0.34
42_G	50_R	0.617	0.33
79_E	83_K	0.616	0.33
41_E	45_A	0.616	0.33
85_K	89_K	0.614	0.33
63_K	67_E	0.613	0.33
34_K	135_D	0.610	0.32
29_N	153_V	0.610	0.32
141_A	148_K	0.607	0.32
150_K	153_V	0.606	0.32
21_L	102_G	0.606	0.32
11_L	14_Q	0.604	0.32
42_G	49_A	0.602	0.32
21_L	29_N	0.599	0.31
93_A	114_L	0.592	0.31
19_N	127_W	0.592	0.31
10_Q	95_H	0.590	0.31
23_V	26_Y	0.588	0.31
151_M	155_L	0.585	0.30
63_K	66_R	0.585	0.30
95_H	102_G	0.584	0.30
27_L	139_E	0.583	0.30
54_Q	85_K	0.582	0.30
51_K	55_R	0.582	0.30
5_K	8_D	0.582	0.30
83_K	87_W	0.579	0.30
26_Y	138_A	0.579	0.30
9_R	116_D	0.579	0.30
51_K	54_Q	0.577	0.30
115_G	153_V	0.571	0.29
45_A	48_A	0.570	0.29
17_G	126_Q	0.564	0.29
60_A	87_W	0.563	0.29
117_R	123_I	0.555	0.28
55_R	60_A	0.553	0.28
88_M	91_L	0.548	0.28
33_Y	113_G	0.547	0.28
55_R	66_R	0.545	0.28
49_A	112_I	0.543	0.27
62_Q	71_S	0.542	0.27
62_Q	65_L	0.540	0.27
82_K	129_S	0.536	0.27
46_Q	134_L	0.536	0.27
140_K	143_K	0.535	0.27
23_V	44_A	0.530	0.27
59_E	68_L	0.529	0.27
134_L	142_P	0.527	0.26
67_E	77_K	0.524	0.26
137_A	141_A	0.521	0.26
65_L	70_K	0.519	0.26
11_L	15_E	0.517	0.26
57_L	64_K	0.516	0.26
72_G	77_K	0.513	0.25
77_K	80_A	0.512	0.25
18_L	26_Y	0.512	0.25
64_K	78_K	0.511	0.25
11_L	17_G	0.509	0.25
23_V	142_P	0.507	0.25
51_K	77_K	0.506	0.25
108_K	111_V	0.501	0.25
59_E	66_R	0.501	0.25
24_D	148_K	0.501	0.25
33_Y	147_G	0.500	0.25

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
1vw1A	5	0.8397	10.1	0.945	Contact Map
4dbbA	1	0.3269	6.6	0.949	Contact Map
2da7A	1	0.2885	3.5	0.955	Contact Map
2da3A	1	0.2692	3.1	0.956	Contact Map
2dmtA	1	0.2692	3.1	0.957	Contact Map
2craA	1	0.2692	3	0.957	Contact Map
2yszA	1	0.3141	3	0.957	Contact Map
2e19A	1	0.2564	2.9	0.957	Contact Map
2da2A	1	0.2692	2.9	0.957	Contact Map
1fjlA	2	0.2692	2.8	0.957	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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