MURB - BACSU - GREMLIN Contacts

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MURB - UDP-N-acetylenolpyruvoylglucosamine reductase

UniProt:	P18579	Sequences: MEKVIQELKEREVGKVLANEPLANHTTMKIGGPADVLVIPSSVDAVKDIMDVIKKYDVKWTVIGRGSNLLVLDEGIRGVVIKLGAGLDHLELEGEQVTVGGGYSVVRLATSLSKKGLSGLEFAAGIPGSVGGAVYMNAGAHGSDMSEILVKAHILFEDGTIEWLTNEQMDFSYRTSVLQKKRPGVCLEAVLQLEQKDKESIVQQMQSNKDYRKNTQPYSSPCAGSIFRNPLPNHAGNLVEKAGLKGYQIGGAKISEMHGNFIVNAGGASAKDVLDLIDHVKKTIREKYEIDMHTEVEIIGGNR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	303 (283)
Sequences:	4348 (3271)
Seq/√Len:	194.4

ECOLI - MURB
BACSU - MURB

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
285_R	291_D	3.890	1.00
35_D	77_R	3.735	1.00
151_K	190_V	2.876	1.00
153_H	188_E	2.636	1.00
98_T	190_V	2.471	1.00
252_A	268_A	2.447	1.00
237_N	241_K	2.379	1.00
244_L	283_T	2.363	1.00
251_G	267_G	2.286	1.00
165_T	168_Q	2.274	1.00
151_K	163_W	2.250	1.00
247_Y	279_H	2.239	1.00
228_R	293_H	2.213	1.00
43_V	153_H	2.210	1.00
248_Q	253_K	2.208	1.00
248_Q	265_A	2.204	1.00
202_V	206_Q	2.159	1.00
27_T	67_S	2.152	1.00
145_M	191_L	2.151	1.00
98_T	188_E	2.129	1.00
156_F	160_T	2.127	1.00
153_H	163_W	2.078	1.00
175_T	180_K	2.056	1.00
279_H	283_T	1.994	1.00
271_K	275_D	1.967	1.00
172_S	175_T	1.958	1.00
130_V	191_L	1.948	1.00
154_I	164_L	1.945	1.00
29_K	221_P	1.937	1.00
30_I	273_V	1.933	1.00
149_L	152_A	1.927	1.00
111_S	115_K	1.894	1.00
249_I	279_H	1.884	1.00
253_K	265_A	1.877	1.00
253_K	256_E	1.867	1.00
161_I	187_L	1.866	1.00
154_I	184_G	1.864	1.00
63_I	69_L	1.843	1.00
20_E	25_H	1.843	1.00
154_I	162_E	1.837	1.00
278_D	281_K	1.835	1.00
37_L	82_K	1.813	1.00
233_N	237_N	1.788	1.00
17_L	20_E	1.746	1.00
104_S	107_R	1.726	1.00
210_D	214_N	1.713	1.00
197_D	200_S	1.705	1.00
38_V	49_I	1.695	1.00
281_K	294_T	1.688	1.00
220_S	263_V	1.675	1.00
245_K	259_G	1.649	1.00
53_I	79_V	1.646	1.00
283_T	286_E	1.640	1.00
254_I	280_V	1.636	1.00
20_E	37_L	1.634	1.00
145_M	149_L	1.620	1.00
120_L	148_I	1.614	1.00
38_V	79_V	1.610	1.00
240_E	245_K	1.567	1.00
236_G	259_G	1.564	1.00
156_F	162_E	1.562	1.00
251_G	272_D	1.558	1.00
169_M	178_L	1.557	1.00
149_L	189_A	1.541	1.00
108_L	130_V	1.525	1.00
150_V	192_Q	1.516	1.00
244_L	247_Y	1.513	1.00
233_N	290_I	1.512	1.00
178_L	186_C	1.499	1.00
251_G	265_A	1.499	1.00
61_T	299_I	1.490	1.00
30_I	270_A	1.487	1.00
130_V	189_A	1.482	1.00
244_L	279_H	1.467	1.00
242_A	284_I	1.464	1.00
282_K	286_E	1.464	1.00
96_Q	150_V	1.460	1.00
274_L	298_I	1.453	1.00
283_T	287_K	1.444	1.00
149_L	171_F	1.430	1.00
61_T	76_I	1.411	1.00
39_I	84_G	1.399	1.00
58_V	79_V	1.380	1.00
281_K	291_D	1.360	1.00
41_S	45_A	1.359	1.00
25_H	37_L	1.354	1.00
155_L	159_G	1.352	1.00
118_S	196_K	1.346	1.00
28_M	223_A	1.337	1.00
204_Q	207_S	1.332	1.00
18_A	36_V	1.327	1.00
277_I	294_T	1.326	1.00
26_T	71_V	1.325	1.00
103_Y	108_L	1.317	1.00
39_I	82_K	1.316	1.00
164_L	184_G	1.308	1.00
76_I	80_V	1.303	1.00
108_L	191_L	1.302	1.00
144_D	147_E	1.296	1.00
36_V	58_V	1.290	1.00
209_K	213_K	1.286	1.00
60_W	81_I	1.285	1.00
247_Y	283_T	1.265	1.00
251_G	266_G	1.260	1.00
99_V	108_L	1.259	1.00
53_I	60_W	1.250	1.00
42_S	45_A	1.243	1.00
242_A	287_K	1.241	1.00
242_A	288_Y	1.234	1.00
226_I	262_I	1.218	1.00
46_V	185_V	1.214	1.00
36_V	79_V	1.202	1.00
155_L	187_L	1.194	1.00
248_Q	251_G	1.186	1.00
100_G	103_Y	1.183	1.00
170_D	180_K	1.172	1.00
262_I	273_V	1.164	1.00
207_S	211_Y	1.146	1.00
92_L	111_S	1.143	1.00
157_E	183_P	1.137	1.00
162_E	168_Q	1.136	1.00
97_V	112_L	1.128	1.00
47_K	51_D	1.120	1.00
205_M	209_K	1.109	1.00
153_H	161_I	1.109	1.00
100_G	188_E	1.106	1.00
52_V	56_Y	1.104	1.00
43_V	161_I	1.103	1.00
239_V	280_V	1.103	1.00
97_V	108_L	1.091	1.00
133_A	138_A	1.087	1.00
272_D	275_D	1.084	1.00
275_D	279_H	1.080	1.00
85_A	100_G	1.072	1.00
212_R	215_T	1.070	1.00
150_V	190_V	1.052	1.00
284_I	288_Y	1.050	1.00
229_N	260_N	1.049	1.00
23_A	31_G	1.049	1.00
200_S	203_Q	1.031	1.00
92_L	115_K	1.026	1.00
211_Y	215_T	1.023	1.00
21_P	31_G	1.020	1.00
28_M	226_I	1.016	1.00
35_D	76_I	1.000	1.00
20_E	24_N	0.998	1.00
43_V	47_K	0.998	1.00
22_L	34_A	0.997	1.00
285_R	289_E	0.989	1.00
252_A	276_L	0.988	0.99
124_A	205_M	0.985	0.99
226_I	277_I	0.981	0.99
18_A	35_D	0.979	0.99
72_L	298_I	0.978	0.99
206_Q	210_D	0.976	0.99
106_V	124_A	0.974	0.99
199_E	203_Q	0.969	0.99
153_H	190_V	0.963	0.99
70_L	296_V	0.957	0.99
255_S	258_H	0.956	0.99
163_W	190_V	0.954	0.99
203_Q	207_S	0.950	0.99
134_V	189_A	0.948	0.99
252_A	273_V	0.944	0.99
241_K	288_Y	0.941	0.99
83_L	101_G	0.940	0.99
134_V	149_L	0.932	0.99
72_L	300_G	0.928	0.99
139_G	174_R	0.924	0.99
170_D	175_T	0.918	0.99
49_I	53_I	0.917	0.99
59_K	77_R	0.911	0.99
268_A	273_V	0.908	0.99
113_S	202_V	0.907	0.99
72_L	270_A	0.903	0.99
30_I	70_L	0.900	0.99
209_K	215_T	0.899	0.99
134_V	186_C	0.897	0.99
156_F	183_P	0.897	0.99
44_D	48_D	0.895	0.99
205_M	215_T	0.893	0.99
196_K	201_I	0.893	0.99
108_L	120_L	0.890	0.99
154_I	178_L	0.876	0.99
177_V	182_R	0.876	0.99
112_L	120_L	0.869	0.99
196_K	200_S	0.863	0.99
116_G	198_K	0.857	0.99
146_S	166_N	0.855	0.99
91_E	98_T	0.851	0.98
61_T	80_V	0.850	0.98
85_A	88_D	0.849	0.98
87_L	103_Y	0.848	0.98
19_N	33_P	0.844	0.98
193_L	196_K	0.842	0.98
98_T	153_H	0.839	0.98
96_Q	190_V	0.836	0.98
170_D	177_V	0.835	0.98
40_P	81_I	0.831	0.98
62_V	185_V	0.831	0.98
244_L	280_V	0.823	0.98
90_L	103_Y	0.823	0.98
47_K	161_I	0.816	0.98
250_G	272_D	0.815	0.98
110_T	202_V	0.813	0.98
166_N	171_F	0.813	0.98
96_Q	192_Q	0.812	0.98
216_Q	261_F	0.808	0.98
54_K	157_E	0.808	0.98
71_V	76_I	0.808	0.98
201_I	205_M	0.808	0.98
99_V	191_L	0.806	0.98
28_M	273_V	0.806	0.98
235_A	238_L	0.805	0.98
294_T	298_I	0.804	0.98
26_T	31_G	0.797	0.98
99_V	130_V	0.792	0.98
129_S	132_G	0.790	0.98
95_E	192_Q	0.789	0.98
105_V	133_A	0.789	0.98
236_G	245_K	0.787	0.97
149_L	166_N	0.781	0.97
219_S	257_M	0.779	0.97
133_A	191_L	0.778	0.97
40_P	83_L	0.778	0.97
22_L	25_H	0.778	0.97
249_I	275_D	0.774	0.97
72_L	274_L	0.774	0.97
35_D	78_G	0.768	0.97
234_H	237_N	0.768	0.97
65_R	104_S	0.767	0.97
99_V	103_Y	0.767	0.97
50_M	155_L	0.767	0.97
25_H	82_K	0.766	0.97
269_S	272_D	0.765	0.97
21_P	33_P	0.757	0.97
28_M	70_L	0.756	0.97
156_F	184_G	0.752	0.97
206_Q	212_R	0.751	0.97
118_S	201_I	0.748	0.97
52_V	58_V	0.744	0.96
223_A	226_I	0.740	0.96
43_V	188_E	0.739	0.96
83_L	87_L	0.737	0.96
253_K	263_V	0.736	0.96
121_E	204_Q	0.736	0.96
223_A	296_V	0.734	0.96
254_I	276_L	0.733	0.96
135_Y	297_E	0.731	0.96
135_Y	179_Q	0.729	0.96
209_K	214_N	0.727	0.96
95_E	195_Q	0.726	0.96
171_F	176_S	0.726	0.96
169_M	176_S	0.725	0.96
83_L	185_V	0.723	0.96
46_V	81_I	0.722	0.96
36_V	52_V	0.719	0.96
17_L	39_I	0.719	0.96
151_K	165_T	0.716	0.96
51_D	160_T	0.714	0.96
252_A	262_I	0.713	0.96
113_S	205_M	0.711	0.95
126_I	140_A	0.711	0.95
16_V	38_V	0.708	0.95
108_L	112_L	0.706	0.95
208_N	211_Y	0.706	0.95
124_A	202_V	0.702	0.95
218_Y	221_P	0.701	0.95
282_K	285_R	0.698	0.95
123_A	143_S	0.696	0.95
86_G	103_Y	0.696	0.95
64_G	129_S	0.696	0.95
164_L	168_Q	0.696	0.95
134_V	171_F	0.696	0.95
203_Q	206_Q	0.696	0.95
133_A	145_M	0.693	0.95
109_A	124_A	0.693	0.95
49_I	79_V	0.692	0.95
155_L	161_I	0.691	0.95
113_S	198_K	0.687	0.95
256_E	265_A	0.686	0.95
32_G	73_D	0.685	0.94
198_K	201_I	0.685	0.94
105_V	145_M	0.685	0.94
211_Y	214_N	0.684	0.94
22_L	71_V	0.684	0.94
264_N	268_A	0.684	0.94
235_A	284_I	0.682	0.94
143_S	148_I	0.682	0.94
98_T	151_K	0.682	0.94
31_G	73_D	0.673	0.94
85_A	89_H	0.672	0.94
235_A	292_M	0.672	0.94
112_L	117_L	0.671	0.94
46_V	187_L	0.668	0.94
124_A	209_K	0.667	0.94
153_H	187_L	0.665	0.94
120_L	191_L	0.664	0.94
234_H	258_H	0.660	0.93
279_H	282_K	0.658	0.93
22_L	63_I	0.656	0.93
196_K	204_Q	0.654	0.93
254_I	262_I	0.653	0.93
48_D	51_D	0.653	0.93
275_D	278_D	0.652	0.93
23_A	267_G	0.652	0.93
198_K	202_V	0.651	0.93
117_L	193_L	0.650	0.93
209_K	212_R	0.650	0.93
85_A	103_Y	0.648	0.93
43_V	100_G	0.647	0.93
207_S	210_D	0.645	0.93
111_S	114_K	0.640	0.92
262_I	276_L	0.640	0.92
278_D	282_K	0.640	0.92
206_Q	209_K	0.636	0.92
135_Y	186_C	0.635	0.92
242_A	283_T	0.632	0.92
59_K	78_G	0.629	0.92
70_L	252_A	0.628	0.91
48_D	52_V	0.626	0.91
205_M	212_R	0.625	0.91
233_N	241_K	0.620	0.91
47_K	155_L	0.619	0.91
152_A	169_M	0.617	0.91
208_N	212_R	0.617	0.91
54_K	57_D	0.616	0.91
89_H	100_G	0.616	0.91
140_A	225_S	0.616	0.91
113_S	206_Q	0.616	0.91
162_E	184_G	0.613	0.90
233_N	238_L	0.612	0.90
238_L	242_A	0.610	0.90
43_V	187_L	0.609	0.90
134_V	152_A	0.607	0.90
93_E	96_Q	0.605	0.90
113_S	201_I	0.605	0.90
276_L	280_V	0.604	0.90
71_V	300_G	0.601	0.90
111_S	117_L	0.600	0.90
50_M	60_W	0.598	0.89
71_V	299_I	0.598	0.89
143_S	147_E	0.596	0.89
206_Q	214_N	0.595	0.89
255_S	261_F	0.595	0.89
90_L	111_S	0.592	0.89
103_Y	130_V	0.592	0.89
92_L	97_V	0.591	0.89
277_I	281_K	0.591	0.89
88_D	98_T	0.586	0.88
51_D	55_K	0.586	0.88
23_A	26_T	0.584	0.88
202_V	205_M	0.583	0.88
136_M	179_Q	0.582	0.88
229_N	234_H	0.581	0.88
21_P	25_H	0.581	0.88
240_E	259_G	0.578	0.88
26_T	32_G	0.578	0.88
149_L	191_L	0.578	0.88
248_Q	266_G	0.577	0.88
106_V	110_T	0.577	0.88
179_Q	297_E	0.576	0.88
60_W	76_I	0.576	0.88
28_M	254_I	0.574	0.87
121_E	201_I	0.568	0.87
278_D	294_T	0.568	0.87
73_D	270_A	0.568	0.87
28_M	262_I	0.567	0.87
151_K	188_E	0.566	0.87
87_L	102_G	0.560	0.86
86_G	89_H	0.557	0.86
204_Q	215_T	0.557	0.86
61_T	297_E	0.555	0.86
53_I	58_V	0.555	0.86
76_I	299_I	0.552	0.85
122_F	143_S	0.551	0.85
107_R	111_S	0.547	0.85
282_K	291_D	0.546	0.85
61_T	78_G	0.545	0.85
141_H	225_S	0.543	0.84
30_I	252_A	0.541	0.84
241_K	287_K	0.540	0.84
74_E	271_K	0.540	0.84
200_S	204_Q	0.539	0.84
110_T	113_S	0.538	0.84
105_V	109_A	0.534	0.83
112_L	115_K	0.533	0.83
118_S	194_E	0.533	0.83
146_S	171_F	0.533	0.83
177_V	184_G	0.531	0.83
141_H	211_Y	0.529	0.83
206_Q	215_T	0.529	0.83
87_L	100_G	0.528	0.83
154_I	186_C	0.528	0.83
87_L	90_L	0.527	0.83
223_A	262_I	0.525	0.82
35_D	61_T	0.524	0.82
89_H	98_T	0.524	0.82
118_S	121_E	0.524	0.82
146_S	176_S	0.521	0.82
89_H	92_L	0.521	0.82
176_S	186_C	0.519	0.82
220_S	265_A	0.519	0.82
27_T	223_A	0.518	0.82
46_V	83_L	0.516	0.81
247_Y	276_L	0.516	0.81
202_V	212_R	0.515	0.81
192_Q	196_K	0.514	0.81
234_H	240_E	0.513	0.81
215_T	229_N	0.513	0.81
149_L	169_M	0.512	0.81
52_V	55_K	0.510	0.81
40_P	185_V	0.510	0.81
204_Q	211_Y	0.509	0.80
83_L	103_Y	0.509	0.80
70_L	294_T	0.507	0.80
251_G	269_S	0.506	0.80
60_W	157_E	0.504	0.80
97_V	111_S	0.504	0.80
217_P	261_F	0.503	0.80
139_G	230_P	0.503	0.80
175_T	179_Q	0.501	0.79
87_L	91_E	0.500	0.79
19_N	35_D	0.500	0.79

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
4pytA	1	0.9934	100	0.223	Contact Map
1hskA	1	0.9934	100	0.234	Contact Map
2gqtA	1	0.8812	100	0.241	Contact Map
3i99A	1	0.9538	100	0.247	Contact Map
4jb1A	1	0.934	100	0.273	Contact Map
3tx1A	1	0.967	100	0.299	Contact Map
1uxyA	1	0.9274	100	0.323	Contact Map
4mlaA	1	0.9241	100	0.734	Contact Map
1wvfA	2	0.9769	100	0.737	Contact Map
3pm9A	5	0.9373	99.9	0.74	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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