MURG - BACSU - GREMLIN Contacts

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MURG - UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase

UniProt:	P37585	Sequences: MRIAISGGGTGGHIYPALAFIKEVQRRHPNVEFLYIGTENGLEKKIVERENIPFRSIEITGFKRKLSFENVKTVMRFLKGVKKSKSYLAEFKPDAVIGTGGYVCGPVVYAAAKMGIPTIVHEQNSLPGITNKFLSKYVNKVAICFEEAKSHFPSEKVVFTGNPRASEVVSIKTGRSLAEFGLSEDKKTVLIFGGSRGAAPINRAVIDMQDVLKTRDYQVLYITGEVHYEKVMNELKSKGAADNMVTKPFLHQMPEYLKAIDVIVARAGATTIAEITALGIPSVLIPSPYVTANHQEVNARSLGQHDAAIVLKETELSGEKLIEALDRIVLNEQTLKEMSERTKSLGVPDAAARLYSVLEELKK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	363 (316)
Sequences:	18151 (14127)
Seq/√Len:	794.7

ECOLI - MURG
BACSU - MURG YJIC UGTP YDHE YOJK YKON SPSG
SULSO - Q97VW9

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
302_L	308_A	3.450	1.00
267_A	284_L	3.310	1.00
337_E	340_E	3.184	1.00
23_E	26_R	2.920	1.00
5_I	21_I	2.831	1.00
284_L	299_A	2.825	1.00
283_V	328_I	2.780	1.00
303_G	310_V	2.761	1.00
214_T	322_I	2.752	1.00
335_L	339_S	2.699	1.00
85_K	113_K	2.695	1.00
327_R	334_T	2.625	1.00
23_E	27_R	2.624	1.00
322_I	326_D	2.588	1.00
300_R	304_Q	2.554	1.00
44_K	48_E	2.544	1.00
309_I	327_R	2.539	1.00
34_L	55_R	2.461	1.00
263_I	275_I	2.444	1.00
275_I	282_S	2.332	1.00
337_E	341_R	2.308	1.00
145_F	149_K	2.291	1.00
210_D	318_G	2.283	1.00
341_R	344_S	2.246	1.00
342_T	346_G	2.197	1.00
336_K	340_E	2.194	1.00
86_S	90_E	2.130	1.00
98_G	118_T	2.120	1.00
207_D	318_G	2.087	1.00
327_R	331_N	2.080	1.00
34_L	91_F	2.073	1.00
149_K	152_F	2.018	1.00
89_A	114_M	2.000	1.00
312_K	315_E	1.997	1.00
326_D	330_L	1.973	1.00
265_A	282_S	1.965	1.00
272_I	302_L	1.961	1.00
309_I	324_A	1.943	1.00
188_T	218_Q	1.901	1.00
320_K	324_A	1.877	1.00
247_K	250_L	1.862	1.00
252_Q	255_E	1.844	1.00
263_I	271_T	1.815	1.00
262_V	325_L	1.808	1.00
262_V	328_I	1.802	1.00
183_S	218_Q	1.794	1.00
186_K	218_Q	1.775	1.00
338_M	341_R	1.773	1.00
334_T	337_E	1.770	1.00
339_S	342_T	1.764	1.00
300_R	303_G	1.729	1.00
340_E	344_S	1.715	1.00
3_I	95_A	1.708	1.00
331_N	334_T	1.706	1.00
309_I	334_T	1.699	1.00
190_L	260_I	1.674	1.00
334_T	338_M	1.641	1.00
85_K	114_M	1.639	1.00
4_A	36_I	1.628	1.00
3_I	24_V	1.623	1.00
189_V	264_V	1.620	1.00
263_I	280_I	1.599	1.00
146_E	149_K	1.598	1.00
333_Q	336_K	1.583	1.00
215_R	326_D	1.526	1.00
189_V	262_V	1.522	1.00
67_S	70_N	1.521	1.00
96_V	111_A	1.493	1.00
5_I	17_A	1.466	1.00
83_K	86_S	1.460	1.00
283_V	324_A	1.446	1.00
303_G	309_I	1.445	1.00
184_E	218_Q	1.432	1.00
301_S	304_Q	1.432	1.00
4_A	93_P	1.412	1.00
128_G	144_C	1.408	1.00
318_G	322_I	1.398	1.00
333_Q	337_E	1.391	1.00
206_I	210_D	1.382	1.00
212_L	219_V	1.379	1.00
302_L	307_A	1.372	1.00
177_L	181_G	1.366	1.00
72_K	76_R	1.362	1.00
323_E	327_R	1.341	1.00
145_F	148_A	1.340	1.00
220_L	256_Y	1.339	1.00
147_E	150_S	1.317	1.00
213_K	243_N	1.314	1.00
45_K	49_R	1.314	1.00
108_V	118_T	1.311	1.00
186_K	216_D	1.309	1.00
5_I	97_I	1.304	1.00
12_G	16_P	1.286	1.00
21_I	52_I	1.277	1.00
309_I	328_I	1.270	1.00
222_I	250_L	1.264	1.00
317_S	320_K	1.256	1.00
190_L	222_I	1.256	1.00
279_G	343_K	1.255	1.00
210_D	213_K	1.254	1.00
45_K	48_E	1.246	1.00
320_K	323_E	1.244	1.00
214_T	318_G	1.244	1.00
343_K	346_G	1.242	1.00
332_E	336_K	1.242	1.00
111_A	118_T	1.241	1.00
11_G	15_Y	1.239	1.00
4_A	88_L	1.237	1.00
211_V	322_I	1.232	1.00
296_E	312_K	1.231	1.00
341_R	345_L	1.229	1.00
340_E	343_K	1.225	1.00
86_S	89_A	1.224	1.00
311_L	324_A	1.217	1.00
110_A	114_M	1.211	1.00
332_E	335_L	1.197	1.00
95_A	119_I	1.192	1.00
22_K	52_I	1.192	1.00
82_K	85_K	1.191	1.00
307_A	341_R	1.190	1.00
119_I	142_A	1.185	1.00
148_A	152_F	1.171	1.00
85_K	89_A	1.166	1.00
296_E	300_R	1.165	1.00
202_N	206_I	1.162	1.00
339_S	343_K	1.161	1.00
187_K	261_D	1.160	1.00
284_L	302_L	1.150	1.00
218_Q	245_V	1.144	1.00
211_V	318_G	1.139	1.00
82_K	86_S	1.135	1.00
283_V	309_I	1.134	1.00
225_E	248_P	1.134	1.00
300_R	310_V	1.129	1.00
15_Y	249_F	1.128	1.00
190_L	252_Q	1.125	1.00
73_T	76_R	1.122	1.00
336_K	339_S	1.119	1.00
142_A	160_T	1.117	1.00
328_I	334_T	1.117	1.00
334_T	341_R	1.114	1.00
55_R	90_E	1.114	1.00
188_T	260_I	1.113	1.00
276_T	307_A	1.110	1.00
324_A	327_R	1.108	1.00
217_Y	326_D	1.108	1.00
75_M	79_K	1.098	1.00
319_E	323_E	1.097	1.00
25_Q	52_I	1.090	1.00
70_N	73_T	1.089	1.00
176_S	179_E	1.087	1.00
158_V	162_N	1.086	1.00
306_D	337_E	1.082	1.00
160_T	163_P	1.082	1.00
76_R	79_K	1.081	1.00
58_E	83_K	1.079	1.00
39_E	56_S	1.078	1.00
207_D	210_D	1.075	1.00
22_K	25_Q	1.068	1.00
74_V	77_F	1.068	1.00
190_L	256_Y	1.064	1.00
146_E	150_S	1.061	1.00
10_T	196_R	1.048	1.00
200_P	313_E	1.038	1.00
343_K	347_V	1.035	1.00
282_S	308_A	1.028	1.00
279_G	342_T	1.026	1.00
272_I	282_S	1.018	1.00
69_E	73_T	1.016	1.00
301_S	305_H	1.014	1.00
187_K	329_V	1.014	1.00
199_A	203_R	1.009	1.00
264_V	321_L	1.003	1.00
240_A	243_N	0.998	1.00
22_K	50_E	0.997	1.00
335_L	341_R	0.995	1.00
228_Y	232_M	0.990	1.00
272_I	298_N	0.984	1.00
22_K	26_R	0.978	1.00
229_E	232_M	0.971	1.00
264_V	285_I	0.964	1.00
65_K	68_F	0.962	1.00
315_E	320_K	0.961	1.00
34_L	37_G	0.957	1.00
22_K	167_E	0.953	1.00
188_T	220_L	0.950	1.00
148_A	151_H	0.949	1.00
306_D	341_R	0.947	1.00
96_V	116_I	0.947	1.00
17_A	35_Y	0.943	1.00
211_V	321_L	0.935	1.00
240_A	246_T	0.932	1.00
338_M	342_T	0.930	1.00
18_L	22_K	0.926	1.00
98_G	107_V	0.921	1.00
200_P	203_R	0.919	1.00
299_A	310_V	0.909	1.00
158_V	161_G	0.909	1.00
178_A	181_G	0.908	1.00
284_L	308_A	0.899	1.00
145_F	152_F	0.896	1.00
30_N	53_P	0.895	1.00
334_T	342_T	0.889	1.00
220_L	245_V	0.888	1.00
197_G	287_S	0.887	1.00
316_L	321_L	0.883	1.00
279_G	338_M	0.881	1.00
16_P	270_T	0.881	1.00
87_Y	90_E	0.880	1.00
165_A	168_V	0.879	1.00
241_A	244_M	0.878	1.00
177_L	259_A	0.876	1.00
209_Q	244_M	0.870	1.00
335_L	342_T	0.869	1.00
13_H	99_T	0.869	1.00
191_I	212_L	0.867	1.00
213_K	242_D	0.859	1.00
335_L	338_M	0.857	1.00
267_A	299_A	0.850	1.00
174_G	178_A	0.849	1.00
73_T	77_F	0.849	1.00
240_A	244_M	0.847	1.00
44_K	54_F	0.846	1.00
189_V	217_Y	0.843	1.00
83_K	87_Y	0.841	1.00
260_I	280_I	0.841	1.00
282_S	302_L	0.838	1.00
216_D	326_D	0.837	1.00
66_L	69_E	0.833	1.00
7_G	17_A	0.833	1.00
84_S	88_L	0.829	1.00
69_E	72_K	0.825	1.00
297_V	300_R	0.819	1.00
87_Y	91_F	0.816	1.00
74_V	78_L	0.815	1.00
209_Q	221_Y	0.815	1.00
289_Y	294_H	0.813	1.00
5_I	24_V	0.811	1.00
189_V	219_V	0.802	1.00
277_A	346_G	0.802	1.00
244_M	247_K	0.801	1.00
179_E	218_Q	0.795	1.00
77_F	80_G	0.794	1.00
191_I	219_V	0.792	1.00
178_A	182_L	0.789	1.00
190_L	257_L	0.787	1.00
68_F	72_K	0.786	1.00
211_V	319_E	0.786	1.00
295_Q	298_N	0.785	1.00
24_V	29_P	0.784	1.00
3_I	29_P	0.781	1.00
59_I	62_F	0.771	1.00
187_K	332_E	0.770	1.00
19_A	22_K	0.770	1.00
217_Y	329_V	0.763	1.00
309_I	312_K	0.762	1.00
25_Q	33_F	0.761	1.00
88_L	114_M	0.761	1.00
159_F	162_N	0.760	1.00
49_R	52_I	0.756	1.00
72_K	75_M	0.754	1.00
66_L	70_N	0.749	1.00
76_R	80_G	0.746	1.00
266_R	295_Q	0.746	1.00
6_S	107_V	0.744	1.00
252_Q	274_E	0.741	1.00
156_K	162_N	0.741	1.00
285_I	316_L	0.741	1.00
123_Q	126_L	0.739	1.00
323_E	326_D	0.736	1.00
192_F	271_T	0.734	1.00
192_F	263_I	0.733	1.00
177_L	183_S	0.732	1.00
43_E	47_V	0.729	1.00
146_E	159_F	0.728	1.00
75_M	78_L	0.726	1.00
70_N	78_L	0.726	1.00
253_M	278_L	0.726	1.00
250_L	256_Y	0.726	1.00
173_T	178_A	0.720	1.00
203_R	206_I	0.716	1.00
20_F	99_T	0.713	1.00
185_D	258_K	0.713	1.00
173_T	177_L	0.706	1.00
122_E	126_L	0.705	1.00
55_R	91_F	0.703	1.00
205_V	223_T	0.703	1.00
89_A	113_K	0.703	1.00
165_A	169_V	0.702	1.00
104_C	107_V	0.701	1.00
48_E	54_F	0.699	1.00
191_I	264_V	0.698	1.00
166_S	169_V	0.698	1.00
265_A	271_T	0.696	1.00
276_T	302_L	0.690	1.00
192_F	253_M	0.685	1.00
43_E	48_E	0.685	1.00
20_F	163_P	0.685	1.00
286_P	299_A	0.684	1.00
185_D	188_T	0.683	1.00
85_K	88_L	0.680	1.00
257_L	263_I	0.677	1.00
68_F	75_M	0.676	1.00
275_I	284_L	0.676	1.00
203_R	207_D	0.676	1.00
71_V	75_M	0.675	1.00
17_A	99_T	0.675	1.00
208_M	212_L	0.675	1.00
34_L	53_P	0.674	1.00
37_G	43_E	0.672	1.00
156_K	160_T	0.671	1.00
66_L	71_V	0.671	1.00
66_L	73_T	0.670	1.00
40_N	44_K	0.668	1.00
279_G	339_S	0.666	1.00
228_Y	231_V	0.665	1.00
24_V	28_H	0.661	1.00
49_R	251_H	0.659	1.00
67_S	73_T	0.659	1.00
4_A	34_L	0.657	1.00
283_V	311_L	0.657	1.00
188_T	259_A	0.653	1.00
99_T	103_V	0.645	1.00
311_L	320_K	0.644	1.00
164_R	277_A	0.642	1.00
46_I	49_R	0.641	1.00
143_I	159_F	0.641	1.00
208_M	321_L	0.641	1.00
44_K	56_S	0.638	1.00
176_S	180_F	0.638	1.00
211_V	214_T	0.636	1.00
213_K	239_G	0.636	1.00
207_D	211_V	0.636	1.00
331_N	336_K	0.635	1.00
162_N	165_A	0.634	1.00
211_V	325_L	0.634	1.00
19_A	165_A	0.633	1.00
276_T	342_T	0.631	1.00
265_A	284_L	0.630	1.00
176_S	259_A	0.627	1.00
71_V	74_V	0.625	1.00
239_G	242_D	0.623	1.00
4_A	91_F	0.622	1.00
252_Q	257_L	0.621	1.00
7_G	99_T	0.621	1.00
92_K	116_I	0.619	1.00
20_F	97_I	0.618	1.00
67_S	74_V	0.617	1.00
84_S	87_Y	0.615	1.00
159_F	163_P	0.615	1.00
184_E	187_K	0.614	1.00
26_R	166_S	0.614	1.00
265_A	272_I	0.614	1.00
257_L	280_I	0.611	1.00
66_L	72_K	0.608	1.00
68_F	71_V	0.607	1.00
177_L	182_L	0.607	1.00
97_I	119_I	0.607	1.00
171_I	255_E	0.606	1.00
190_L	250_L	0.603	1.00
270_T	274_E	0.602	1.00
48_E	51_N	0.600	1.00
78_L	81_V	0.600	1.00
316_L	320_K	0.600	1.00
19_A	23_E	0.599	1.00
342_T	345_L	0.598	1.00
182_L	218_Q	0.596	1.00
280_I	335_L	0.595	1.00
347_V	350_A	0.591	1.00
4_A	7_G	0.591	1.00
325_L	329_V	0.590	1.00
78_L	82_K	0.586	1.00
170_S	173_T	0.585	1.00
108_V	111_A	0.585	1.00
261_D	329_V	0.583	1.00
221_Y	224_G	0.583	1.00
223_T	246_T	0.582	1.00
98_G	120_V	0.581	1.00
190_L	263_I	0.581	1.00
39_E	44_K	0.581	1.00
68_F	77_F	0.581	1.00
214_T	319_E	0.579	1.00
55_R	87_Y	0.579	1.00
345_L	348_P	0.578	1.00
47_V	50_E	0.577	1.00
192_F	222_I	0.576	1.00
47_V	51_N	0.574	1.00
187_K	217_Y	0.570	1.00
44_K	49_R	0.569	1.00
319_E	322_I	0.568	1.00
265_A	275_I	0.568	1.00
65_K	69_E	0.565	1.00
251_H	255_E	0.562	1.00
60_T	64_R	0.562	1.00
220_L	260_I	0.562	1.00
179_E	245_V	0.561	1.00
57_I	61_G	0.561	1.00
180_F	188_T	0.558	1.00
210_D	214_T	0.558	1.00
269_A	273_A	0.557	1.00
123_Q	127_P	0.557	1.00
39_E	58_E	0.556	1.00
219_V	222_I	0.556	1.00
222_I	249_F	0.554	1.00
266_R	294_H	0.553	1.00
53_P	91_F	0.550	1.00
99_T	123_Q	0.548	1.00
312_K	320_K	0.548	1.00
262_V	283_V	0.547	1.00
276_T	338_M	0.547	1.00
47_V	54_F	0.547	1.00
108_V	112_A	0.546	1.00
186_K	243_N	0.544	1.00
190_L	193_G	0.544	1.00
10_T	13_H	0.543	1.00
195_S	294_H	0.543	1.00
36_I	84_S	0.541	1.00
213_K	241_A	0.540	1.00
283_V	325_L	0.540	1.00
266_R	270_T	0.539	1.00
30_N	34_L	0.537	1.00
344_S	347_V	0.536	1.00
112_A	115_G	0.536	1.00
18_L	21_I	0.533	1.00
297_V	301_S	0.531	1.00
59_I	63_K	0.531	1.00
121_H	163_P	0.530	1.00
208_M	211_V	0.529	1.00
216_D	243_N	0.529	1.00
262_V	329_V	0.528	1.00
70_N	77_F	0.528	1.00
179_E	252_Q	0.527	1.00
307_A	342_T	0.527	1.00
37_G	54_F	0.526	1.00
98_G	108_V	0.525	1.00
286_P	295_Q	0.525	1.00
256_Y	260_I	0.525	1.00
215_R	322_I	0.524	1.00
60_T	63_K	0.524	1.00
299_A	303_G	0.524	1.00
200_P	204_A	0.524	1.00
228_Y	248_P	0.524	1.00
22_K	166_S	0.524	1.00
288_P	294_H	0.522	1.00
3_I	33_F	0.521	1.00
107_V	118_T	0.520	1.00
221_Y	244_M	0.519	1.00
199_A	227_H	0.519	1.00
128_G	143_I	0.519	1.00
195_S	295_Q	0.517	1.00
48_E	53_P	0.517	1.00
306_D	333_Q	0.517	1.00
109_Y	113_K	0.517	1.00
88_L	91_F	0.516	1.00
162_N	270_T	0.516	1.00
193_G	198_A	0.515	1.00
202_N	205_V	0.514	1.00
112_A	118_T	0.513	1.00
218_Q	243_N	0.512	1.00
89_A	92_K	0.512	1.00
164_R	167_E	0.511	1.00
107_V	111_A	0.510	1.00
311_L	316_L	0.509	1.00
83_K	88_L	0.508	1.00
287_S	313_E	0.507	1.00
33_F	52_I	0.507	1.00
262_V	335_L	0.506	1.00
146_E	151_H	0.505	1.00
39_E	43_E	0.504	1.00
271_T	275_I	0.503	1.00
204_A	207_D	0.502	1.00
208_M	322_I	0.502	1.00
272_I	284_L	0.501	1.00
21_I	33_F	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
2iyaA	1	0.9311	100	0.329	Contact Map
2vchA	1	0.9559	100	0.33	Contact Map
3hbfA	1	0.9669	100	0.333	Contact Map
2c1xA	1	0.9421	100	0.336	Contact Map
3rscA	1	0.9394	100	0.34	Contact Map
2pq6A	1	0.9201	100	0.341	Contact Map
1rrvA	1	0.9339	100	0.343	Contact Map
2iyfA	1	0.9339	100	0.355	Contact Map
3ia7A	2	0.9284	100	0.355	Contact Map
2acvA	1	0.9669	100	0.357	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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