TUAG - BACSU - GREMLIN Contacts

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TUAG - Putative teichuronic acid biosynthesis glycosyltransferase TuaG

UniProt:	O32268	Sequences: MTNWKPLVSVITPSYNARDYIEDTVHSVLDQSHPHWEMIIVDDCSTDGTRDILQQYEKIDERIHVVYLEENSGAAVARNKALERAQGRYVAFLDSDDKWKKDKLEKQLEFMMERSCAFSFTGYSLMAQDGTPLDKFIHAPESLTYDDALKNTIIGCLTVMIDREQTGQIQMPNIRTRQDLATWLSLLKKGFTAYGMNECLAEYRLVNNSISSNKWKAAKKTWFVYREIERLHFMKATWCFVQYAKNAVKKRL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	252 (213)
Sequences:	45177 (38073)
Seq/√Len:	2608.7

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
163_R	167_G	3.165	1.00
17_A	95_S	2.974	1.00
18_R	48_G	2.721	1.00
106_K	198_E	2.417	1.00
42_D	67_Y	2.403	1.00
181_A	185_S	2.393	1.00
9_S	87_G	2.374	1.00
80_K	84_R	2.210	1.00
50_R	67_Y	2.184	1.00
14_S	49_T	2.150	1.00
68_L	80_K	2.127	1.00
89_Y	111_M	2.102	1.00
50_R	54_Q	2.097	1.00
37_E	64_H	2.087	1.00
32_S	105_E	2.082	1.00
100_K	202_E	2.018	1.00
22_E	26_H	1.996	1.00
116_C	194_Y	1.951	1.00
41_V	81_A	1.922	1.00
11_I	81_A	1.887	1.00
12_T	38_M	1.815	1.00
7_L	88_R	1.815	1.00
16_N	46_T	1.803	1.00
165_Q	191_F	1.800	1.00
9_S	37_E	1.795	1.00
48_G	51_D	1.792	1.00
23_D	204_R	1.785	1.00
78_R	94_D	1.761	1.00
72_S	76_V	1.758	1.00
22_E	56_Y	1.729	1.00
66_V	84_R	1.727	1.00
99_W	103_K	1.718	1.00
23_D	98_K	1.709	1.00
110_F	196_M	1.706	1.00
107_Q	160_M	1.702	1.00
91_A	160_M	1.679	1.00
54_Q	67_Y	1.678	1.00
74_A	78_R	1.673	1.00
42_D	45_S	1.653	1.00
18_R	52_I	1.636	1.00
8_V	108_L	1.608	1.00
117_A	162_D	1.597	1.00
64_H	84_R	1.592	1.00
110_F	194_Y	1.573	1.00
26_H	56_Y	1.572	1.00
102_D	106_K	1.559	1.00
33_H	108_L	1.553	1.00
40_I	53_L	1.521	1.00
22_E	52_I	1.514	1.00
103_K	107_Q	1.499	1.00
89_Y	160_M	1.492	1.00
50_R	65_V	1.485	1.00
12_T	24_T	1.476	1.00
124_S	202_E	1.476	1.00
7_L	35_H	1.470	1.00
22_E	55_Q	1.469	1.00
80_K	83_E	1.466	1.00
111_M	160_M	1.449	1.00
98_K	202_E	1.435	1.00
15_Y	71_N	1.430	1.00
168_Q	189_K	1.411	1.00
37_E	87_G	1.411	1.00
26_H	30_D	1.410	1.00
117_A	191_F	1.407	1.00
75_A	178_Q	1.392	1.00
14_S	40_I	1.378	1.00
118_F	193_A	1.377	1.00
93_L	99_W	1.371	1.00
66_V	80_K	1.371	1.00
110_F	114_R	1.342	1.00
105_E	109_E	1.341	1.00
91_A	103_K	1.340	1.00
106_K	109_E	1.331	1.00
91_A	104_L	1.330	1.00
164_E	168_Q	1.315	1.00
9_S	85_A	1.306	1.00
33_H	36_W	1.294	1.00
14_S	17_A	1.288	1.00
8_V	104_L	1.270	1.00
168_Q	191_F	1.270	1.00
78_R	92_F	1.263	1.00
90_V	163_R	1.258	1.00
69_E	72_S	1.224	1.00
82_L	166_T	1.219	1.00
27_S	99_W	1.217	1.00
16_N	45_S	1.213	1.00
68_L	72_S	1.210	1.00
17_A	20_Y	1.172	1.00
43_D	71_N	1.162	1.00
54_Q	57_E	1.156	1.00
165_Q	186_L	1.138	1.00
159_V	183_W	1.136	1.00
14_S	95_S	1.131	1.00
111_M	119_S	1.125	1.00
25_V	38_M	1.119	1.00
88_R	162_D	1.116	1.00
109_E	113_E	1.114	1.00
9_S	39_I	1.109	1.00
69_E	80_K	1.107	1.00
107_Q	121_T	1.104	1.00
85_A	163_R	1.104	1.00
68_L	77_A	1.102	1.00
110_F	113_E	1.101	1.00
52_I	56_Y	1.101	1.00
42_D	50_R	1.091	1.00
74_A	178_Q	1.090	1.00
164_E	167_G	1.073	1.00
41_V	77_A	1.073	1.00
122_G	195_G	1.068	1.00
98_K	204_R	1.059	1.00
82_L	92_F	1.057	1.00
91_A	99_W	1.056	1.00
37_E	86_Q	1.053	1.00
102_D	105_E	1.045	1.00
7_L	87_G	1.036	1.00
162_D	165_Q	1.034	1.00
51_D	54_Q	1.025	1.00
29_L	60_D	1.022	1.00
55_Q	59_I	1.020	1.00
7_L	86_Q	1.015	1.00
108_L	112_M	1.014	1.00
115_S	192_T	1.012	1.00
30_D	101_K	0.994	1.00
24_T	93_L	0.993	1.00
82_L	90_V	0.992	1.00
53_L	65_V	0.989	1.00
13_P	77_A	0.986	1.00
8_V	160_M	0.976	1.00
52_I	55_Q	0.975	1.00
117_A	192_T	0.970	1.00
27_S	98_K	0.969	1.00
106_K	196_M	0.967	1.00
114_R	194_Y	0.966	1.00
32_S	102_D	0.939	1.00
83_E	170_Q	0.938	1.00
118_F	186_L	0.934	1.00
26_H	29_L	0.926	1.00
51_D	55_Q	0.922	1.00
48_G	52_I	0.921	1.00
38_M	63_I	0.915	1.00
29_L	62_R	0.910	1.00
25_V	56_Y	0.909	1.00
64_H	86_Q	0.905	1.00
78_R	178_Q	0.901	1.00
123_Y	157_L	0.901	1.00
110_F	119_S	0.894	1.00
89_Y	108_L	0.892	1.00
74_A	94_D	0.892	1.00
29_L	56_Y	0.890	1.00
107_Q	119_S	0.886	1.00
74_A	210_I	0.886	1.00
124_S	199_C	0.885	1.00
126_M	130_G	0.872	1.00
216_K	220_K	0.868	1.00
206_V	209_S	0.861	1.00
107_Q	111_M	0.857	1.00
28_V	93_L	0.857	1.00
103_K	121_T	0.849	1.00
76_V	80_K	0.846	1.00
166_T	182_T	0.845	1.00
74_A	156_C	0.845	1.00
57_E	63_I	0.834	1.00
69_E	76_V	0.826	1.00
43_D	77_A	0.826	1.00
106_K	110_F	0.826	1.00
10_V	28_V	0.822	1.00
10_V	91_A	0.807	1.00
98_K	126_M	0.805	1.00
103_K	200_L	0.804	1.00
29_L	63_I	0.800	1.00
217_A	220_K	0.798	1.00
28_V	38_M	0.796	1.00
126_M	202_E	0.789	1.00
7_L	112_M	0.781	1.00
75_A	79_N	0.772	1.00
127_A	131_T	0.767	1.00
26_H	59_I	0.767	1.00
43_D	73_G	0.749	1.00
43_D	72_S	0.745	1.00
144_T	147_D	0.745	1.00
82_L	85_A	0.745	1.00
14_S	21_I	0.744	1.00
100_K	124_S	0.742	1.00
41_V	80_K	0.741	1.00
23_D	26_H	0.735	1.00
166_T	171_M	0.733	1.00
28_V	99_W	0.729	1.00
117_A	165_Q	0.729	1.00
25_V	40_I	0.727	1.00
36_W	104_L	0.727	1.00
114_R	192_T	0.726	1.00
32_S	101_K	0.725	1.00
24_T	27_S	0.722	1.00
76_V	172_P	0.722	1.00
20_Y	204_R	0.721	1.00
100_K	103_K	0.706	1.00
122_G	197_N	0.705	1.00
174_I	177_R	0.698	1.00
165_Q	169_I	0.698	1.00
169_I	186_L	0.696	1.00
57_E	65_V	0.694	1.00
54_Q	65_V	0.692	1.00
72_S	77_A	0.688	1.00
88_R	164_E	0.685	1.00
169_I	189_K	0.681	1.00
13_P	95_S	0.679	1.00
33_H	104_L	0.678	1.00
209_S	212_S	0.677	1.00
10_V	104_L	0.676	1.00
14_S	53_L	0.675	1.00
25_V	29_L	0.673	1.00
77_A	80_K	0.670	1.00
39_I	81_A	0.669	1.00
74_A	77_A	0.667	1.00
121_T	200_L	0.667	1.00
121_T	158_T	0.667	1.00
33_H	105_E	0.664	1.00
127_A	130_G	0.663	1.00
32_S	36_W	0.657	1.00
100_K	200_L	0.655	1.00
167_G	171_M	0.655	1.00
39_I	84_R	0.651	1.00
110_F	116_C	0.651	1.00
111_M	116_C	0.650	1.00
12_T	28_V	0.649	1.00
142_S	145_Y	0.649	1.00
17_A	206_V	0.647	1.00
171_M	182_T	0.642	1.00
182_T	186_L	0.642	1.00
43_D	68_L	0.641	1.00
133_L	137_I	0.638	1.00
21_I	52_I	0.638	1.00
186_L	191_F	0.637	1.00
108_L	160_M	0.636	1.00
157_L	201_A	0.634	1.00
79_N	83_E	0.633	1.00
165_Q	168_Q	0.632	1.00
109_E	112_M	0.632	1.00
60_D	63_I	0.631	1.00
68_L	76_V	0.628	1.00
18_R	22_E	0.626	1.00
8_V	91_A	0.622	1.00
22_E	59_I	0.622	1.00
156_C	159_V	0.620	1.00
64_H	67_Y	0.615	1.00
161_I	183_W	0.615	1.00
111_M	162_D	0.613	1.00
216_K	219_K	0.612	1.00
167_G	170_Q	0.609	1.00
44_C	71_N	0.606	1.00
13_P	43_D	0.605	1.00
85_A	90_V	0.604	1.00
134_D	137_I	0.603	1.00
196_M	199_C	0.596	1.00
79_N	171_M	0.596	1.00
89_Y	162_D	0.596	1.00
103_K	158_T	0.593	1.00
120_F	195_G	0.592	1.00
7_L	36_W	0.591	1.00
120_F	154_I	0.590	1.00
39_I	64_H	0.588	1.00
20_Y	206_V	0.586	1.00
150_K	192_T	0.583	1.00
9_S	86_Q	0.583	1.00
50_R	53_L	0.583	1.00
116_C	162_D	0.583	1.00
7_L	33_H	0.582	1.00
161_I	182_T	0.578	1.00
53_L	57_E	0.578	1.00
117_A	120_F	0.577	1.00
21_I	95_S	0.577	1.00
57_E	60_D	0.575	1.00
15_Y	43_D	0.572	1.00
72_S	80_K	0.570	1.00
13_P	78_R	0.570	1.00
83_E	171_M	0.568	1.00
10_V	36_W	0.565	1.00
24_T	28_V	0.564	1.00
56_Y	60_D	0.563	1.00
97_D	203_Y	0.561	1.00
18_R	51_D	0.560	1.00
56_Y	59_I	0.558	1.00
21_I	53_L	0.555	1.00
77_A	94_D	0.554	1.00
76_V	173_N	0.554	1.00
39_I	85_A	0.552	1.00
7_L	37_E	0.552	1.00
161_I	166_T	0.552	1.00
91_A	158_T	0.547	1.00
11_I	41_V	0.543	1.00
99_W	104_L	0.542	1.00
92_F	161_I	0.537	1.00
154_I	183_W	0.536	1.00
18_R	21_I	0.536	1.00
15_Y	44_C	0.535	1.00
128_Q	131_T	0.534	1.00
145_Y	148_A	0.534	1.00
88_R	112_M	0.532	1.00
141_E	144_T	0.532	1.00
68_L	71_N	0.529	1.00
172_P	175_R	0.522	1.00
94_D	178_Q	0.520	1.00
31_Q	105_E	0.520	1.00
180_L	184_L	0.519	1.00
165_Q	190_G	0.519	1.00
115_S	162_D	0.517	1.00
18_R	47_D	0.516	1.00
44_C	68_L	0.515	1.00
29_L	59_I	0.514	1.00
117_A	164_E	0.514	1.00
7_L	108_L	0.512	1.00
177_R	180_L	0.509	1.00
141_E	145_Y	0.508	1.00
199_C	202_E	0.504	1.00
126_M	204_R	0.504	1.00
24_T	96_D	0.504	1.00
161_I	186_L	0.503	1.00
83_E	167_G	0.502	1.00
154_I	159_V	0.500	1.00
35_H	62_R	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	0.6905	100	0.227	Contact Map
3l7iA	4	0	100	0.253	Contact Map
1qg8A	1	0.8651	100	0.254	Contact Map
2d7iA	1	1	100	0.277	Contact Map
2z86A	2	0.9683	100	0.281	Contact Map
1xhbA	1	0.9643	100	0.283	Contact Map
5ajoA	1	0.9841	100	0.294	Contact Map
4fixA	3	0.996	100	0.335	Contact Map
3ckjA	2	0.9603	100	0.364	Contact Map
4p02A	1	0.9881	100	0.37	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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