WCAA - ECOLI - GREMLIN Contacts

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WCAA - Putative colanic acid biosynthesis glycosyl transferase WcaA

UniProt:	P77414	Sequences: MKNNPLISIYMPTWNRQQLAIRAIKSVLRQDYSNWEMIIVDDCSTSWEQLQQYVTALNDPRITYIHNDINSGACAVRNQAIMLAQGEYITGIDDDDEWTPNRLSVFLAHKQQLVTHAFLYANDYVCQGEVYSQPASLPLYPKSPYSRRLFYKRNIIGNQVFTWAWRFKECLFDTELKAAQDYDIFLRMVVEYGEPWKVEEATQILHINHGEMQITSSPKKFSGYFHFYRKHKDKFDRASKKYQLFTLYQIRNKRMTWRTLLTLLSVRNGKRLADGIRGR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13569
Length:	279 (228)
Sequences:	31938 (27672)
Seq/√Len:	1832.6

ECOLI - WCAA YIBD WCAE WBBL GTRB ARNC PGAC YAIP
BACSU - GGAA CGED EPSE GGAB EPSH EPSJ TUAG YFNE YWDF SPSA YKCC YDAM CSBB YKOT TAGF
HALSA - Q9HQP8 Q9HQP4 Q9HSC8 Q9HQP3 Q9HQQ6 Q9HNK3 Q9HR08 Q9HSB1
SULSO - Q7LXF7 Q97TZ0 Q97TY0 Q97X05 Q7LXG6 Q97YG5 Q97W52 Q7LXY2 Q97YM4 Q97WK7 Q97YN4 Q97UK7

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
16_R	94_D	3.261	1.00
164_A	168_K	3.199	1.00
17_Q	47_W	2.597	1.00
67_N	79_Q	2.539	1.00
105_V	200_E	2.479	1.00
183_D	187_R	2.457	1.00
79_Q	83_L	2.398	1.00
41_D	66_H	2.263	1.00
8_S	86_G	2.262	1.00
99_T	204_I	2.259	1.00
82_M	171_L	2.217	1.00
13_T	48_E	2.179	1.00
88_Y	110_K	2.175	1.00
36_E	63_T	2.126	1.00
71_S	75_A	2.122	1.00
31_D	104_S	2.090	1.00
67_N	71_S	2.087	1.00
40_V	80_A	2.079	1.00
116_H	196_W	2.054	1.00
11_M	37_M	2.034	1.00
22_R	206_H	1.994	1.00
10_Y	80_A	1.978	1.00
21_I	25_K	1.904	1.00
22_R	97_E	1.857	1.00
15_N	45_T	1.835	1.00
109_H	196_W	1.816	1.00
7_I	107_L	1.802	1.00
75_A	174_T	1.796	1.00
65_I	83_L	1.792	1.00
98_W	102_R	1.787	1.00
8_S	36_E	1.779	1.00
124_Y	204_I	1.754	1.00
90_T	161_F	1.744	1.00
77_R	93_D	1.741	1.00
109_H	198_V	1.737	1.00
106_F	161_F	1.729	1.00
166_R	193_G	1.706	1.00
117_A	163_W	1.672	1.00
49_Q	66_H	1.666	1.00
52_Q	55_T	1.662	1.00
97_E	204_I	1.661	1.00
11_M	23_A	1.660	1.00
101_N	105_V	1.650	1.00
67_N	75_A	1.630	1.00
102_R	106_F	1.599	1.00
90_T	103_L	1.572	1.00
6_L	87_E	1.567	1.00
41_D	44_S	1.534	1.00
79_Q	82_M	1.528	1.00
90_T	102_R	1.525	1.00
32_Y	107_L	1.522	1.00
92_I	98_W	1.520	1.00
73_A	77_R	1.516	1.00
25_K	29_R	1.510	1.00
65_I	79_Q	1.476	1.00
63_T	83_L	1.467	1.00
74_C	180_Q	1.460	1.00
13_T	39_I	1.457	1.00
14_W	70_N	1.456	1.00
47_W	50_L	1.454	1.00
88_Y	161_F	1.448	1.00
49_Q	64_Y	1.405	1.00
51_Q	55_T	1.404	1.00
7_I	103_L	1.399	1.00
6_L	34_N	1.394	1.00
118_F	195_P	1.389	1.00
173_D	183_D	1.365	1.00
36_E	86_G	1.359	1.00
110_K	161_F	1.358	1.00
104_S	108_A	1.352	1.00
13_T	16_R	1.351	1.00
77_R	91_G	1.350	1.00
89_I	164_A	1.330	1.00
169_E	191_E	1.325	1.00
105_V	108_A	1.325	1.00
117_A	193_G	1.318	1.00
39_I	52_Q	1.310	1.00
32_Y	35_W	1.307	1.00
53_Y	57_L	1.299	1.00
165_W	169_E	1.289	1.00
21_I	54_V	1.289	1.00
49_Q	53_Y	1.272	1.00
50_L	54_V	1.269	1.00
160_V	185_F	1.263	1.00
24_I	37_M	1.259	1.00
87_E	163_W	1.256	1.00
166_R	188_M	1.255	1.00
50_L	53_Y	1.246	1.00
26_S	98_W	1.239	1.00
97_E	206_H	1.236	1.00
67_N	76_V	1.235	1.00
106_F	121_A	1.230	1.00
16_R	19_L	1.227	1.00
81_I	167_F	1.226	1.00
73_A	180_Q	1.216	1.00
8_S	84_A	1.207	1.00
40_V	76_V	1.201	1.00
84_A	164_A	1.200	1.00
81_I	91_G	1.182	1.00
110_K	119_L	1.181	1.00
90_T	98_W	1.173	1.00
53_Y	56_A	1.166	1.00
23_A	92_I	1.164	1.00
42_D	70_N	1.158	1.00
169_E	193_G	1.153	1.00
107_L	111_Q	1.152	1.00
36_E	85_Q	1.139	1.00
53_Y	66_H	1.136	1.00
15_N	44_S	1.135	1.00
13_T	94_D	1.131	1.00
122_N	197_K	1.129	1.00
165_W	168_K	1.122	1.00
126_C	204_I	1.110	1.00
73_A	212_M	1.103	1.00
7_I	161_F	1.084	1.00
124_Y	201_A	1.082	1.00
101_N	104_S	1.080	1.00
29_R	100_P	1.061	1.00
37_M	62_I	1.052	1.00
109_H	112_Q	1.052	1.00
123_D	158_N	1.050	1.00
105_V	198_V	1.044	1.00
108_A	112_Q	1.037	1.00
27_V	92_I	1.008	1.00
102_R	121_A	1.006	1.00
8_S	38_I	1.005	1.00
54_V	57_L	1.003	1.00
167_F	184_I	0.993	1.00
163_W	166_R	0.987	1.00
28_L	59_D	0.987	1.00
12_P	76_V	0.982	1.00
75_A	79_Q	0.977	1.00
25_K	28_L	0.975	1.00
6_L	85_Q	0.975	1.00
115_T	194_E	0.959	1.00
208_N	211_E	0.955	1.00
21_I	55_T	0.954	1.00
31_D	101_N	0.952	1.00
81_I	89_I	0.949	1.00
6_L	86_G	0.939	1.00
106_F	119_L	0.934	1.00
97_E	126_C	0.923	1.00
88_Y	107_L	0.916	1.00
42_D	76_V	0.915	1.00
26_S	97_E	0.913	1.00
63_T	85_Q	0.905	1.00
41_D	49_Q	0.902	1.00
99_T	124_Y	0.900	1.00
118_F	188_M	0.899	1.00
42_D	67_N	0.899	1.00
170_C	191_E	0.899	1.00
102_R	202_T	0.896	1.00
109_H	119_L	0.892	1.00
105_V	109_H	0.879	1.00
77_R	180_Q	0.875	1.00
42_D	72_G	0.874	1.00
117_A	194_E	0.870	1.00
13_T	20_A	0.864	1.00
9_I	27_V	0.862	1.00
225_F	229_R	0.859	1.00
25_K	55_T	0.847	1.00
28_L	61_R	0.847	1.00
28_L	62_I	0.844	1.00
9_I	90_T	0.842	1.00
166_R	170_C	0.834	1.00
71_S	76_V	0.824	1.00
52_Q	56_A	0.821	1.00
35_W	103_L	0.819	1.00
74_C	78_N	0.815	1.00
19_L	206_H	0.807	1.00
117_A	166_R	0.805	1.00
106_F	110_K	0.800	1.00
126_C	130_V	0.798	1.00
24_I	39_I	0.798	1.00
226_H	230_K	0.795	1.00
27_V	37_M	0.795	1.00
43_C	67_N	0.793	1.00
73_A	157_G	0.791	1.00
127_Q	131_Y	0.776	1.00
78_N	171_L	0.775	1.00
157_G	172_F	0.770	1.00
7_I	90_T	0.765	1.00
158_N	203_Q	0.764	1.00
162_T	185_F	0.762	1.00
121_A	202_T	0.760	1.00
6_L	111_Q	0.759	1.00
73_A	93_D	0.757	1.00
40_V	79_Q	0.757	1.00
67_N	70_N	0.756	1.00
51_Q	54_V	0.756	1.00
5_P	87_E	0.755	1.00
27_V	98_W	0.755	1.00
23_A	26_S	0.754	1.00
52_Q	64_Y	0.753	1.00
222_S	226_H	0.753	1.00
99_T	102_R	0.751	1.00
16_R	208_N	0.748	1.00
11_M	27_V	0.748	1.00
31_D	100_P	0.746	1.00
73_A	76_V	0.744	1.00
91_G	172_F	0.743	1.00
17_Q	53_Y	0.739	1.00
50_L	55_T	0.738	1.00
9_I	103_L	0.732	1.00
32_Y	104_S	0.731	1.00
42_D	71_S	0.730	1.00
25_K	57_L	0.729	1.00
166_R	169_E	0.728	1.00
58_N	61_R	0.726	1.00
71_S	79_Q	0.720	1.00
5_P	111_Q	0.717	1.00
146_S	149_L	0.715	1.00
24_I	55_T	0.714	1.00
122_N	199_E	0.714	1.00
125_V	207_I	0.714	1.00
120_Y	197_K	0.714	1.00
81_I	84_A	0.710	1.00
184_I	188_M	0.709	1.00
32_Y	103_L	0.702	1.00
110_K	116_H	0.700	1.00
76_V	79_Q	0.694	1.00
157_G	160_V	0.690	1.00
59_D	62_I	0.690	1.00
21_I	51_Q	0.687	1.00
223_G	226_H	0.687	1.00
20_A	94_D	0.686	1.00
43_C	70_N	0.682	1.00
38_I	80_A	0.682	1.00
12_P	94_D	0.680	1.00
90_T	159_Q	0.679	1.00
17_Q	46_S	0.677	1.00
9_I	35_W	0.677	1.00
54_V	58_N	0.675	1.00
170_C	188_M	0.670	1.00
99_T	202_T	0.668	1.00
51_Q	66_H	0.668	1.00
22_R	25_K	0.667	1.00
17_Q	21_I	0.666	1.00
40_V	67_N	0.663	1.00
17_Q	51_Q	0.657	1.00
47_W	52_Q	0.656	1.00
12_P	77_R	0.655	1.00
38_I	63_T	0.651	1.00
126_C	206_H	0.647	1.00
28_L	55_T	0.642	1.00
23_A	95_D	0.637	1.00
167_F	171_L	0.636	1.00
109_H	116_H	0.631	1.00
98_W	103_L	0.630	1.00
81_I	171_L	0.630	1.00
108_A	111_Q	0.628	1.00
105_V	202_T	0.628	1.00
5_P	32_Y	0.628	1.00
19_L	208_N	0.626	1.00
24_I	28_L	0.625	1.00
87_E	165_W	0.624	1.00
162_T	184_I	0.623	1.00
12_P	42_D	0.620	1.00
121_A	159_Q	0.612	1.00
78_N	172_F	0.611	1.00
96_D	205_L	0.610	1.00
23_A	27_V	0.610	1.00
110_K	163_W	0.606	1.00
222_S	225_F	0.606	1.00
84_A	89_I	0.602	1.00
38_I	83_L	0.602	1.00
173_D	187_R	0.602	1.00
168_K	171_L	0.601	1.00
137_L	140_Y	0.594	1.00
173_D	230_K	0.592	1.00
21_I	56_A	0.586	1.00
13_T	50_L	0.583	1.00
107_L	161_F	0.583	1.00
171_L	184_I	0.583	1.00
63_T	66_H	0.580	1.00
189_V	195_P	0.580	1.00
162_T	167_F	0.579	1.00
226_H	229_R	0.578	1.00
17_Q	20_A	0.576	1.00
179_A	182_Y	0.575	1.00
158_N	205_L	0.573	1.00
14_W	42_D	0.573	1.00
13_T	41_D	0.569	1.00
6_L	35_W	0.568	1.00
30_Q	104_S	0.567	1.00
78_N	82_M	0.566	1.00
88_Y	163_W	0.565	1.00
190_V	234_K	0.565	1.00
120_Y	155_I	0.559	1.00
6_L	107_L	0.558	1.00
39_I	62_I	0.556	1.00
38_I	84_A	0.555	1.00
28_L	37_M	0.554	1.00
10_Y	84_A	0.554	1.00
120_Y	160_V	0.554	1.00
87_E	111_Q	0.553	1.00
207_I	214_I	0.553	1.00
78_N	174_T	0.549	1.00
201_A	204_I	0.549	1.00
188_M	193_G	0.549	1.00
117_A	192_Y	0.547	1.00
198_V	201_A	0.546	1.00
182_Y	186_L	0.545	1.00
131_Y	134_P	0.543	1.00
211_E	214_I	0.543	1.00
27_V	30_Q	0.539	1.00
159_Q	203_Q	0.538	1.00
93_D	180_Q	0.535	1.00
122_N	201_A	0.535	1.00
25_K	58_N	0.533	1.00
21_I	58_N	0.532	1.00
130_V	133_Q	0.531	1.00
55_T	58_N	0.529	1.00
136_S	140_Y	0.529	1.00
166_R	192_Y	0.528	1.00
114_V	196_W	0.527	1.00
136_S	139_L	0.526	1.00
52_Q	57_L	0.525	1.00
14_W	43_C	0.525	1.00
98_W	203_Q	0.524	1.00
173_D	176_L	0.523	1.00
11_M	39_I	0.520	1.00
17_Q	50_L	0.519	1.00
92_I	203_Q	0.519	1.00
225_F	228_Y	0.517	1.00
183_D	230_K	0.516	1.00
127_Q	130_V	0.515	1.00
144_P	149_L	0.513	1.00
107_L	110_K	0.511	1.00
231_H	234_K	0.509	1.00
140_Y	145_Y	0.509	1.00
30_Q	103_L	0.507	1.00
224_Y	228_Y	0.506	1.00
224_Y	227_F	0.506	1.00
10_Y	40_V	0.503	1.00
96_D	203_Q	0.503	1.00
144_P	147_R	0.502	1.00
116_H	194_E	0.502	1.00
6_L	32_Y	0.501	1.00
228_Y	231_H	0.501	1.00
23_A	94_D	0.501	1.00
23_A	96_D	0.500	1.00

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
3bcvA	2	0.6416	100	0.267	Contact Map
2d7iA	1	0.9964	100	0.27	Contact Map
1xhbA	1	0.9642	100	0.281	Contact Map
2z86A	2	0.9104	100	0.282	Contact Map
1qg8A	1	0.7885	100	0.284	Contact Map
5ajoA	1	0.9857	100	0.289	Contact Map
3l7iA	4	0	100	0.292	Contact Map
4fixA	3	0.9857	100	0.36	Contact Map
3ckjA	2	0.9462	100	0.389	Contact Map
4p02A	1	0.9534	100	0.42	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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