WCAE - ECOLI - GREMLIN Contacts

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WCAE - Putative colanic acid biosynthesis glycosyl transferase WcaE

UniProt:	P71239	Sequences: MLLSIITVAFRNLEGIVKTHASLAHLAQVEDISFEWIVVDGGSNDGTREYLENLNGIFNLRFVSEPDNGIYDAMNKGIAMAQGKFALFLNSGDIFHQNAANFVRKLKMQKDNVMITGDALLDFGDGHKIKRSAKPGWYIYHSLPASHQAIFFPVSGLKKWRYDLEYKVSSDYALAAKMYKAGYAFKKLNGLVSEFSMGGVSTTNNMELCADAKKVQRQILHVPGFWAELSWHLRQRTTSKTKALYNKV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13573
Length:	248 (201)
Sequences:	41465 (34730)
Seq/√Len:	2449.6

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
154_V	158_K	3.238	1.00
12_N	91_S	2.926	1.00
13_L	46_G	2.679	1.00
173_A	177_K	2.413	1.00
102_F	190_G	2.404	1.00
76_K	80_M	2.233	1.00
4_S	83_G	2.224	1.00
9_A	47_T	2.191	1.00
27_A	101_N	2.133	1.00
79_A	161_R	2.044	1.00
35_E	61_R	2.016	1.00
48_R	52_E	1.994	1.00
40_D	64_S	1.983	1.00
96_H	194_E	1.971	1.00
17_V	21_A	1.952	1.00
39_V	77_G	1.934	1.00
18_K	196_S	1.893	1.00
112_N	186_K	1.888	1.00
6_I	77_G	1.868	1.00
7_T	36_W	1.855	1.00
68_N	72_D	1.815	1.00
11_R	44_N	1.776	1.00
95_F	99_A	1.743	1.00
4_S	35_E	1.742	1.00
156_G	183_Y	1.738	1.00
46_G	49_E	1.734	1.00
48_R	64_S	1.723	1.00
74_M	90_N	1.715	1.00
103_V	151_F	1.681	1.00
106_L	188_L	1.673	1.00
63_V	80_M	1.673	1.00
18_K	94_I	1.659	1.00
72_D	164_L	1.651	1.00
17_V	54_L	1.634	1.00
3_L	104_R	1.630	1.00
13_L	50_Y	1.607	1.00
40_D	43_S	1.602	1.00
87_L	151_F	1.597	1.00
61_R	80_M	1.589	1.00
70_I	74_M	1.564	1.00
98_N	102_F	1.540	1.00
99_A	103_V	1.536	1.00
85_F	151_F	1.528	1.00
106_L	186_K	1.523	1.00
120_L	194_E	1.519	1.00
17_V	53_N	1.515	1.00
113_V	153_P	1.514	1.00
7_T	19_T	1.506	1.00
52_E	64_S	1.486	1.00
38_V	51_L	1.480	1.00
31_D	104_R	1.475	1.00
76_K	79_A	1.458	1.00
17_V	50_Y	1.449	1.00
21_A	54_L	1.444	1.00
48_R	62_F	1.434	1.00
85_F	107_K	1.433	1.00
21_A	25_H	1.424	1.00
35_E	83_G	1.413	1.00
159_K	181_A	1.410	1.00
94_I	194_E	1.403	1.00
71_Y	170_S	1.399	1.00
89_L	95_F	1.371	1.00
113_V	183_Y	1.365	1.00
63_V	76_K	1.361	1.00
9_A	38_V	1.357	1.00
101_N	105_K	1.348	1.00
114_M	185_F	1.336	1.00
10_F	67_D	1.336	1.00
87_L	99_A	1.323	1.00
3_L	100_A	1.317	1.00
155_S	159_K	1.317	1.00
22_S	95_F	1.315	1.00
102_F	105_K	1.314	1.00
87_L	100_A	1.314	1.00
163_D	173_A	1.310	1.00
78_I	157_L	1.273	1.00
106_L	109_Q	1.270	1.00
65_E	68_N	1.254	1.00
4_S	81_A	1.245	1.00
9_A	12_N	1.242	1.00
11_R	43_S	1.241	1.00
86_A	154_V	1.220	1.00
52_E	55_N	1.209	1.00
159_K	183_Y	1.186	1.00
31_D	34_F	1.181	1.00
41_G	67_D	1.168	1.00
65_E	76_K	1.165	1.00
74_M	88_F	1.159	1.00
150_I	175_A	1.148	1.00
81_A	154_V	1.146	1.00
9_A	91_S	1.138	1.00
156_G	178_M	1.132	1.00
12_N	15_G	1.128	1.00
84_K	153_P	1.117	1.00
20_H	36_W	1.101	1.00
94_I	196_S	1.098	1.00
155_S	158_K	1.097	1.00
118_D	187_K	1.089	1.00
98_N	101_N	1.080	1.00
70_I	170_S	1.068	1.00
87_L	95_F	1.067	1.00
39_V	73_A	1.065	1.00
103_V	117_G	1.061	1.00
40_D	48_R	1.057	1.00
111_D	184_A	1.053	1.00
78_I	88_F	1.047	1.00
35_E	82_Q	1.045	1.00
50_Y	54_L	1.040	1.00
19_T	89_L	1.026	1.00
3_L	151_F	1.023	1.00
122_D	194_E	1.021	1.00
27_A	31_D	1.015	1.00
123_F	127_H	1.004	1.00
49_E	52_E	0.985	1.00
22_S	94_I	0.977	1.00
94_I	122_D	0.969	1.00
25_H	97_Q	0.967	1.00
78_I	86_A	0.965	1.00
114_M	178_M	0.961	1.00
153_P	156_G	0.957	1.00
8_V	73_A	0.956	1.00
198_G	201_S	0.955	1.00
27_A	98_N	0.954	1.00
4_S	37_I	0.945	1.00
122_D	126_G	0.934	1.00
49_E	53_N	0.931	1.00
50_Y	53_N	0.931	1.00
53_N	57_I	0.929	1.00
51_L	62_F	0.924	1.00
46_G	50_Y	0.923	1.00
74_M	170_S	0.922	1.00
109_Q	112_N	0.919	1.00
103_V	115_I	0.919	1.00
21_A	24_A	0.914	1.00
102_F	188_L	0.899	1.00
119_A	148_Q	0.898	1.00
61_R	82_Q	0.897	1.00
24_A	54_L	0.897	1.00
157_L	174_L	0.896	1.00
106_L	115_I	0.893	1.00
23_L	89_L	0.889	1.00
20_H	54_L	0.889	1.00
36_W	60_L	0.888	1.00
65_E	72_D	0.884	1.00
120_L	191_L	0.880	1.00
55_N	60_L	0.879	1.00
85_F	104_R	0.864	1.00
99_A	117_G	0.861	1.00
113_V	184_A	0.856	1.00
41_G	73_A	0.850	1.00
5_I	23_L	0.848	1.00
107_K	110_K	0.838	1.00
24_A	60_L	0.827	1.00
41_G	69_G	0.816	1.00
70_I	147_H	0.811	1.00
70_I	202_T	0.811	1.00
96_H	120_L	0.809	1.00
71_Y	75_N	0.802	1.00
72_D	76_K	0.798	1.00
27_A	32_I	0.797	1.00
34_F	100_A	0.796	1.00
23_L	36_W	0.795	1.00
105_K	108_M	0.791	1.00
53_N	56_G	0.790	1.00
68_N	73_A	0.786	1.00
70_I	90_N	0.786	1.00
24_A	57_I	0.781	1.00
160_W	178_M	0.776	1.00
102_F	106_L	0.772	1.00
15_G	196_S	0.768	1.00
160_W	181_A	0.760	1.00
5_I	87_L	0.759	1.00
78_I	81_A	0.758	1.00
19_T	22_S	0.754	1.00
156_G	160_W	0.752	1.00
99_A	192_V	0.751	1.00
9_A	51_L	0.748	1.00
39_V	76_K	0.740	1.00
9_A	16_I	0.735	1.00
42_G	65_E	0.734	1.00
147_H	162_Y	0.733	1.00
41_G	68_N	0.731	1.00
18_K	21_A	0.728	1.00
122_D	196_S	0.726	1.00
107_K	151_F	0.719	1.00
37_I	77_G	0.717	1.00
24_A	59_N	0.713	1.00
208_L	211_D	0.711	1.00
113_V	156_G	0.711	1.00
34_F	59_N	0.707	1.00
123_F	126_G	0.707	1.00
27_A	97_Q	0.706	1.00
75_N	161_R	0.704	1.00
117_G	192_V	0.700	1.00
174_L	178_M	0.698	1.00
23_L	95_F	0.697	1.00
7_T	23_L	0.697	1.00
20_H	38_V	0.695	1.00
147_H	150_I	0.693	1.00
88_F	162_Y	0.690	1.00
73_A	76_K	0.689	1.00
55_N	62_F	0.688	1.00
51_L	55_N	0.688	1.00
96_H	99_A	0.685	1.00
70_I	73_A	0.680	1.00
20_H	24_A	0.678	1.00
75_N	164_L	0.677	1.00
152_F	175_A	0.675	1.00
84_K	155_S	0.671	1.00
75_N	162_Y	0.669	1.00
54_L	57_I	0.668	1.00
12_N	198_G	0.664	1.00
52_E	62_F	0.661	1.00
157_L	161_R	0.658	1.00
105_K	109_Q	0.657	1.00
64_S	76_K	0.655	1.00
93_D	195_F	0.654	1.00
107_K	112_N	0.653	1.00
148_Q	193_S	0.652	1.00
96_H	192_V	0.650	1.00
37_I	80_M	0.650	1.00
21_A	57_I	0.650	1.00
117_G	149_A	0.645	1.00
78_I	161_R	0.644	1.00
16_I	50_Y	0.642	1.00
13_L	17_V	0.640	1.00
106_L	112_N	0.638	1.00
31_D	101_N	0.637	1.00
81_A	86_A	0.637	1.00
10_F	41_G	0.635	1.00
8_V	91_S	0.631	1.00
116_T	187_K	0.631	1.00
5_I	100_A	0.629	1.00
121_L	197_M	0.628	1.00
201_S	204_N	0.627	1.00
104_R	151_F	0.626	1.00
161_R	174_L	0.625	1.00
42_G	67_D	0.623	1.00
107_K	115_I	0.622	1.00
156_G	159_K	0.621	1.00
138_Y	141_H	0.619	1.00
152_F	174_L	0.618	1.00
5_I	34_F	0.617	1.00
27_A	34_F	0.615	1.00
68_N	76_K	0.615	1.00
48_R	51_L	0.614	1.00
118_D	189_N	0.613	1.00
141_H	184_A	0.613	1.00
8_V	41_G	0.613	1.00
3_L	87_L	0.610	1.00
19_T	23_L	0.610	1.00
178_M	183_Y	0.610	1.00
37_I	81_A	0.608	1.00
16_I	91_S	0.605	1.00
208_L	212_A	0.598	1.00
4_S	82_Q	0.593	1.00
109_Q	184_A	0.591	1.00
188_L	191_L	0.587	1.00
52_E	56_G	0.586	1.00
163_D	177_K	0.585	1.00
15_G	198_G	0.584	1.00
85_F	153_P	0.584	1.00
37_I	61_R	0.582	1.00
104_R	107_K	0.581	1.00
99_A	149_A	0.579	1.00
16_I	51_L	0.572	1.00
75_N	79_A	0.569	1.00
8_V	74_M	0.566	1.00
13_L	16_I	0.564	1.00
26_L	101_N	0.557	1.00
107_K	153_P	0.556	1.00
152_F	157_L	0.553	1.00
158_K	161_R	0.552	1.00
116_T	145_A	0.551	1.00
17_V	57_I	0.551	1.00
87_L	149_A	0.549	1.00
106_L	110_K	0.548	1.00
129_I	136_G	0.544	1.00
13_L	45_D	0.543	1.00
95_F	100_A	0.540	1.00
31_D	100_A	0.537	1.00
13_L	49_E	0.536	1.00
110_K	186_K	0.534	1.00
139_I	142_S	0.530	1.00
89_L	93_D	0.524	1.00
145_A	175_A	0.523	1.00
113_V	182_G	0.523	1.00
169_S	172_Y	0.522	1.00
156_G	182_G	0.522	1.00
19_T	92_G	0.519	1.00
209_C	212_A	0.513	1.00
113_V	155_S	0.513	1.00
6_I	39_V	0.512	1.00
73_A	90_N	0.511	1.00
34_F	83_G	0.505	1.00
26_L	100_A	0.503	1.00
112_N	153_P	0.503	1.00
191_L	194_E	0.503	1.00
24_A	36_W	0.501	1.00
148_Q	195_F	0.501	1.00
149_A	193_S	0.500	1.00
8_V	70_I	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	0.6895	100	0.255	Contact Map
3l7iA	4	0	100	0.257	Contact Map
1qg8A	1	0.871	100	0.295	Contact Map
2z86A	2	0.9758	100	0.301	Contact Map
2d7iA	1	0.9879	100	0.302	Contact Map
1xhbA	1	0.9556	100	0.302	Contact Map
5ajoA	1	0.9798	100	0.318	Contact Map
4fixA	3	0.9839	100	0.351	Contact Map
4p02A	1	0.9597	100	0.375	Contact Map
3ckjA	2	0.9234	100	0.394	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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