MURQ - BACSU - GREMLIN Contacts

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MURQ - N-acetylmuramic acid 6-phosphate etherase

UniProt:	Q45582	Sequences: MSEPLNLHRLTTESRNSQTVEIHKANTLGILKMINNEDMKVAAAVQEVLPDIKTAVDCAYESFQNGGRLIYTGAGTSGRLGVMDAVECPPTYSVSPDQVIGIMAGGPEAFLQAAEGIEDSEEAGAEDLRNIQLTSNDTVIAIAASGRTPYAAGALRYARKVGAHTIALTCNENSAISKDADHSIEVVVGPEAITGSTRMKAATAHKMILNMISTAVMVKIGKVYENLMVDVNVSNKKLKERAISIIQSLTNASYDTARYTLEQADHHVKTAIVMLKTSTDQKQAQTLLDEANGFIDKAIEHYHP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	304 (290)
Sequences:	1859 (1245)
Seq/√Len:	73.1

ECOLI - MURQ
BACSU - MURQ

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
253_S	256_T	4.102	1.00
55_A	166_I	3.602	1.00
159_R	181_D	3.536	1.00
27_T	57_D	3.463	1.00
34_I	199_M	3.208	1.00
186_V	208_I	3.208	1.00
39_M	46_Q	2.982	1.00
70_I	131_I	2.795	1.00
260_T	275_L	2.789	1.00
62_S	164_H	2.744	1.00
280_D	283_Q	2.586	1.00
82_V	110_F	2.547	1.00
42_A	207_M	2.477	1.00
121_E	156_R	2.450	1.00
92_Y	199_M	2.436	1.00
72_T	154_A	2.361	1.00
133_L	139_V	2.328	1.00
62_S	138_T	2.321	1.00
124_G	154_A	2.317	1.00
157_Y	160_K	2.265	1.00
39_M	43_A	2.213	1.00
31_L	56_V	2.181	1.00
58_C	182_H	2.128	1.00
107_P	111_L	2.120	1.00
56_V	215_A	2.110	1.00
156_R	179_D	2.087	1.00
25_A	33_M	2.011	1.00
127_D	150_Y	2.002	1.00
92_Y	193_I	1.989	1.00
28_L	53_K	1.979	1.00
155_L	165_T	1.971	1.00
240_E	254_Y	1.969	1.00
11_T	172_E	1.950	1.00
59_A	212_I	1.924	1.00
22_I	218_V	1.869	1.00
22_I	193_I	1.857	1.00
240_E	244_S	1.841	1.00
63_F	220_I	1.787	1.00
157_Y	161_V	1.776	1.00
48_V	51_D	1.752	1.00
155_L	176_I	1.750	1.00
31_L	49_L	1.735	1.00
58_C	164_H	1.693	1.00
63_F	98_Q	1.689	1.00
48_V	184_I	1.679	1.00
27_T	219_K	1.676	1.00
69_L	99_V	1.667	1.00
30_I	215_A	1.655	1.00
174_S	177_S	1.647	1.00
141_A	151_A	1.632	1.00
222_K	230_D	1.627	0.99
273_V	295_I	1.626	0.99
28_L	32_K	1.598	0.99
125_A	129_R	1.591	0.99
18_Q	40_K	1.588	0.99
140_I	212_I	1.585	0.99
177_S	185_E	1.559	0.99
28_L	49_L	1.544	0.99
64_Q	292_N	1.543	0.99
267_H	270_T	1.540	0.99
128_L	157_Y	1.523	0.99
259_Y	263_Q	1.513	0.99
65_N	136_N	1.511	0.99
243_I	258_R	1.503	0.99
48_V	186_V	1.495	0.99
88_C	94_V	1.494	0.99
188_V	201_A	1.489	0.99
57_D	219_K	1.478	0.99
52_I	208_I	1.471	0.99
281_Q	285_Q	1.465	0.99
133_L	157_Y	1.443	0.99
26_N	29_G	1.436	0.99
48_V	52_I	1.424	0.99
21_E	24_K	1.419	0.99
19_T	33_M	1.419	0.99
216_V	220_I	1.401	0.98
120_S	123_A	1.393	0.98
126_E	130_N	1.385	0.98
31_L	53_K	1.376	0.98
60_Y	219_K	1.372	0.98
265_D	281_Q	1.371	0.98
252_A	257_A	1.369	0.98
240_E	243_I	1.360	0.98
274_M	281_Q	1.359	0.98
63_F	216_V	1.352	0.98
16_N	19_T	1.335	0.98
123_A	127_D	1.333	0.98
142_I	168_L	1.330	0.98
129_R	157_Y	1.321	0.98
19_T	192_A	1.319	0.98
249_L	272_I	1.304	0.98
80_L	209_L	1.293	0.97
20_V	225_E	1.286	0.97
88_C	99_V	1.285	0.97
72_T	124_G	1.277	0.97
167_A	183_S	1.277	0.97
24_K	296_D	1.273	0.97
72_T	102_I	1.267	0.97
37_E	40_K	1.260	0.97
164_H	182_H	1.259	0.97
69_L	140_I	1.258	0.97
167_A	180_A	1.257	0.97
15_R	225_E	1.256	0.97
159_R	179_D	1.253	0.97
72_T	139_V	1.248	0.97
258_R	262_E	1.234	0.97
70_I	100_I	1.219	0.96
97_D	100_I	1.202	0.96
264_A	274_M	1.185	0.96
126_E	129_R	1.184	0.96
114_A	117_I	1.169	0.95
170_C	201_A	1.168	0.95
53_K	57_D	1.166	0.95
36_N	39_M	1.148	0.95
252_A	275_L	1.125	0.94
246_I	272_I	1.125	0.94
59_A	216_V	1.121	0.94
227_L	249_L	1.116	0.94
270_T	281_Q	1.115	0.94
23_H	296_D	1.114	0.94
125_A	160_K	1.112	0.94
147_R	175_A	1.103	0.94
72_T	128_L	1.097	0.93
100_I	131_I	1.096	0.93
96_P	112_Q	1.094	0.93
170_C	204_A	1.090	0.93
86_V	110_F	1.086	0.93
167_A	177_S	1.085	0.93
55_A	212_I	1.070	0.93
287_L	291_A	1.068	0.92
125_A	153_G	1.067	0.92
52_I	184_I	1.062	0.92
231_V	245_I	1.050	0.92
55_A	59_A	1.050	0.92
42_A	45_V	1.048	0.92
277_T	299_I	1.048	0.92
108_E	114_A	1.043	0.92
35_N	42_A	1.039	0.91
246_I	261_L	1.034	0.91
81_G	101_G	1.028	0.91
33_M	192_A	1.026	0.91
60_Y	215_A	1.024	0.91
133_L	161_V	1.023	0.91
267_H	285_Q	1.021	0.91
227_L	248_S	1.020	0.91
262_E	266_H	1.017	0.91
122_E	126_E	1.014	0.90
30_I	218_V	1.012	0.90
86_V	89_P	1.011	0.90
31_L	215_A	1.000	0.90
242_A	268_V	0.996	0.90
55_A	182_H	0.994	0.90
18_Q	36_N	0.993	0.89
16_N	37_E	0.986	0.89
11_T	171_N	0.985	0.89
247_Q	254_Y	0.983	0.89
133_L	163_A	0.979	0.89
27_T	30_I	0.961	0.88
86_V	111_L	0.956	0.88
202_A	205_H	0.955	0.88
167_A	176_I	0.955	0.88
48_V	208_I	0.954	0.88
94_V	98_Q	0.950	0.87
233_V	242_A	0.949	0.87
79_R	115_E	0.947	0.87
124_G	153_G	0.946	0.87
35_N	38_D	0.940	0.87
43_A	46_Q	0.933	0.86
127_D	130_N	0.928	0.86
168_L	208_I	0.923	0.86
28_L	50_P	0.920	0.86
55_A	184_I	0.916	0.85
32_K	49_L	0.916	0.85
58_C	62_S	0.914	0.85
250_T	275_L	0.914	0.85
32_K	36_N	0.913	0.85
11_T	187_V	0.910	0.85
27_T	31_L	0.909	0.85
60_Y	216_V	0.909	0.85
143_A	148_T	0.909	0.85
56_V	212_I	0.907	0.85
175_A	178_K	0.901	0.84
88_C	230_D	0.895	0.84
15_R	194_T	0.892	0.84
283_Q	286_T	0.891	0.84
243_I	254_Y	0.888	0.83
286_T	290_E	0.888	0.83
49_L	211_M	0.882	0.83
36_N	46_Q	0.878	0.83
143_A	234_S	0.873	0.82
164_H	181_D	0.864	0.82
59_A	138_T	0.862	0.82
108_E	112_Q	0.855	0.81
21_E	33_M	0.853	0.81
128_L	133_L	0.853	0.81
169_T	185_E	0.851	0.81
173_N	178_K	0.851	0.81
140_I	168_L	0.850	0.81
15_R	248_S	0.844	0.80
270_T	273_V	0.843	0.80
52_I	211_M	0.840	0.80
80_L	83_M	0.840	0.80
230_D	267_H	0.838	0.80
22_I	92_Y	0.837	0.80
277_T	298_A	0.835	0.80
29_G	32_K	0.835	0.80
54_T	182_H	0.834	0.79
155_L	180_A	0.834	0.79
169_T	177_S	0.826	0.79
277_T	284_A	0.824	0.79
103_M	110_F	0.822	0.78
38_D	207_M	0.820	0.78
294_F	297_K	0.818	0.78
11_T	188_V	0.814	0.78
34_I	192_A	0.814	0.78
15_R	227_L	0.810	0.77
21_E	25_A	0.809	0.77
120_S	126_E	0.807	0.77
252_A	260_T	0.803	0.77
10_L	147_R	0.800	0.77
15_R	19_T	0.799	0.76
138_T	166_I	0.796	0.76
254_Y	257_A	0.789	0.76
25_A	30_I	0.788	0.75
246_I	252_A	0.788	0.75
283_Q	287_L	0.788	0.75
31_L	50_P	0.786	0.75
21_E	296_D	0.786	0.75
15_R	20_V	0.785	0.75
256_T	259_Y	0.784	0.75
260_T	263_Q	0.778	0.75
193_I	199_M	0.777	0.74
59_A	69_L	0.770	0.74
230_D	269_K	0.769	0.74
166_I	184_I	0.769	0.74
31_L	211_M	0.766	0.73
93_S	232_N	0.765	0.73
32_K	46_Q	0.765	0.73
254_Y	258_R	0.764	0.73
277_T	287_L	0.758	0.73
35_N	41_V	0.754	0.72
270_T	279_T	0.752	0.72
285_Q	289_D	0.752	0.72
166_I	212_I	0.750	0.72
64_Q	220_I	0.748	0.72
252_A	256_T	0.748	0.72
227_L	245_I	0.743	0.71
273_V	298_A	0.739	0.71
236_K	240_E	0.739	0.71
72_T	151_A	0.734	0.70
124_G	151_A	0.731	0.70
51_D	54_T	0.730	0.70
264_A	270_T	0.725	0.69
274_M	284_A	0.724	0.69
265_D	285_Q	0.723	0.69
102_I	131_I	0.722	0.69
138_T	164_H	0.721	0.69
188_V	197_T	0.720	0.69
27_T	215_A	0.715	0.68
63_F	213_S	0.715	0.68
88_C	216_V	0.714	0.68
270_T	285_Q	0.714	0.68
98_Q	220_I	0.713	0.68
164_H	216_V	0.710	0.68
246_I	266_H	0.710	0.68
19_T	226_N	0.706	0.67
279_T	287_L	0.703	0.67
282_K	285_Q	0.700	0.67
158_A	163_A	0.698	0.66
27_T	53_K	0.696	0.66
175_A	179_D	0.695	0.66
170_C	205_H	0.693	0.66
22_I	30_I	0.693	0.66
188_V	204_A	0.692	0.66
273_V	287_L	0.691	0.66
82_V	86_V	0.691	0.66
34_I	42_A	0.690	0.65
270_T	284_A	0.688	0.65
273_V	279_T	0.688	0.65
35_N	49_L	0.686	0.65
156_R	160_K	0.685	0.65
151_A	176_I	0.684	0.65
62_S	216_V	0.683	0.65
193_I	214_T	0.681	0.64
180_A	183_S	0.681	0.64
18_Q	37_E	0.680	0.64
282_K	286_T	0.675	0.64
256_T	260_T	0.674	0.64
256_T	275_L	0.673	0.63
279_T	283_Q	0.672	0.63
59_A	166_I	0.667	0.63
86_V	103_M	0.667	0.63
169_T	176_I	0.665	0.63
76_T	115_E	0.665	0.63
225_E	249_L	0.659	0.62
246_I	268_V	0.659	0.62
261_L	266_H	0.657	0.62
171_N	188_V	0.654	0.61
21_E	225_E	0.654	0.61
43_A	47_E	0.653	0.61
172_E	187_V	0.653	0.61
30_I	219_K	0.652	0.61
86_V	101_G	0.651	0.61
203_T	207_M	0.646	0.60
70_I	102_I	0.645	0.60
41_V	207_M	0.643	0.60
194_T	248_S	0.643	0.60
233_V	246_I	0.639	0.59
245_I	268_V	0.638	0.59
81_G	86_V	0.635	0.59
152_A	167_A	0.635	0.59
69_L	88_C	0.634	0.59
86_V	188_V	0.633	0.59
170_C	197_T	0.630	0.58
239_K	242_A	0.630	0.58
58_C	61_E	0.629	0.58
128_L	154_A	0.628	0.58
88_C	140_I	0.627	0.58
48_V	172_E	0.626	0.58
183_S	186_V	0.622	0.57
229_V	272_I	0.622	0.57
49_L	52_I	0.622	0.57
77_S	143_A	0.622	0.57
12_T	295_I	0.619	0.57
140_I	166_I	0.618	0.57
81_G	222_K	0.616	0.57
93_S	234_S	0.615	0.57
76_T	143_A	0.613	0.56
273_V	284_A	0.611	0.56
229_V	269_K	0.605	0.55
34_I	215_A	0.604	0.55
32_K	50_P	0.600	0.55
113_A	234_S	0.598	0.55
63_F	138_T	0.598	0.55
70_I	98_Q	0.593	0.54
65_N	135_S	0.592	0.54
45_V	204_A	0.592	0.54
247_Q	257_A	0.592	0.54
82_V	103_M	0.591	0.54
74_A	104_A	0.590	0.54
61_E	65_N	0.590	0.54
67_G	136_N	0.590	0.54
53_K	215_A	0.588	0.53
63_F	99_V	0.587	0.53
30_I	192_A	0.586	0.53
10_L	171_N	0.584	0.53
81_G	142_I	0.584	0.53
255_D	259_Y	0.584	0.53
233_V	261_L	0.582	0.53
101_G	143_A	0.580	0.52
155_L	167_A	0.577	0.52
55_A	140_I	0.577	0.52
69_L	220_I	0.576	0.52
93_S	205_H	0.575	0.52
192_A	201_A	0.572	0.51
64_Q	294_F	0.570	0.51
233_V	239_K	0.569	0.51
63_F	142_I	0.568	0.51
193_I	218_V	0.568	0.51
125_A	156_R	0.567	0.51
240_E	247_Q	0.565	0.50
84_D	91_T	0.565	0.50
122_E	125_A	0.564	0.50
233_V	266_H	0.563	0.50
12_T	201_A	0.562	0.50
12_T	144_A	0.561	0.50
168_L	186_V	0.560	0.50
17_S	20_V	0.560	0.50
89_P	113_A	0.558	0.50
239_K	266_H	0.557	0.49
86_V	93_S	0.556	0.49
63_F	69_L	0.556	0.49
168_L	205_H	0.556	0.49
22_I	25_A	0.556	0.49
155_L	179_D	0.552	0.49
123_A	126_E	0.550	0.49
64_Q	219_K	0.550	0.49
33_M	36_N	0.548	0.48
177_S	183_S	0.548	0.48
129_R	161_V	0.543	0.48
69_L	138_T	0.543	0.48
115_E	200_K	0.542	0.48
40_K	44_A	0.541	0.47
18_Q	21_E	0.540	0.47
72_T	120_S	0.539	0.47
42_A	46_Q	0.537	0.47
225_E	296_D	0.536	0.47
130_N	160_K	0.536	0.47
242_A	261_L	0.535	0.47
169_T	183_S	0.534	0.47
82_V	201_A	0.533	0.46
273_V	277_T	0.531	0.46
128_L	139_V	0.531	0.46
142_I	213_S	0.529	0.46
88_C	170_C	0.528	0.46
95_S	98_Q	0.526	0.46
52_I	98_Q	0.526	0.46
88_C	98_Q	0.526	0.46
109_A	115_E	0.526	0.46
117_I	234_S	0.524	0.45
84_D	237_K	0.522	0.45
51_D	182_H	0.522	0.45
69_L	98_Q	0.519	0.45
23_H	227_L	0.517	0.45
79_R	113_A	0.517	0.45
135_S	259_Y	0.516	0.44
174_S	185_E	0.515	0.44
118_E	196_S	0.514	0.44
291_A	297_K	0.514	0.44
111_L	114_A	0.514	0.44
192_A	257_A	0.514	0.44
270_T	277_T	0.514	0.44
189_G	200_K	0.513	0.44
182_H	215_A	0.513	0.44
290_E	297_K	0.512	0.44
76_T	82_V	0.512	0.44
43_A	255_D	0.512	0.44
71_Y	84_D	0.511	0.44
135_S	163_A	0.511	0.44
56_V	277_T	0.510	0.44
143_A	194_T	0.510	0.44
47_E	290_E	0.508	0.43
292_N	297_K	0.507	0.43
59_A	142_I	0.507	0.43
60_Y	220_I	0.507	0.43
243_I	247_Q	0.505	0.43
213_S	216_V	0.505	0.43
264_A	271_A	0.504	0.43
34_I	92_Y	0.503	0.43
169_T	174_S	0.503	0.43
23_H	226_N	0.502	0.43
41_V	188_V	0.502	0.43
59_A	63_F	0.500	0.42
44_A	187_V	0.500	0.42
139_V	158_A	0.500	0.42

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
1nriA	2	0.8158	100	0.397	Contact Map
4s12A	2	0.9737	100	0.42	Contact Map
3w0lB	1	0.9539	100	0.429	Contact Map
4bb9A	1	0.9934	100	0.455	Contact Map
1tk9A	4	0.6184	99.9	0.804	Contact Map
3trjA	4	0.6151	99.8	0.817	Contact Map
2xblA	4	0.625	99.8	0.824	Contact Map
2yvaA	4	0.625	99.8	0.826	Contact Map
2i2wA	4	0.6217	99.7	0.833	Contact Map
1x92A	4	0.6349	99.7	0.833	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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