AROB - BACSU - GREMLIN Contacts

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AROB - 3-dehydroquinate synthase

UniProt:	P31102	Sequences: MKTLHVQTASSSYPVFIGQGIRKKACELLTSLNRPLTRIMFVTDEEVDRLYGDEMLHLLQEKWPVKKVTVPSGEQAKSMDMYTKLQSEAIRFHMDRSSCIIAFGGGVVGDLAGFVAATFMRGIDFIQMPTTLLAHDSAVGGKVAVNHPLGKNLIGAFYQPKAVLYDTDFLRSLPEKELRSGMAEVIKHAFIYDRAFLEELLNIHSLRDITNDQLNDMIFKGISIKASVVQQDEKEEGIRAYLNFGHTLGHAVEAEYGYGQITHGDAVALGMQFALYISEKTVGCEMDRKRLVSWLKSLGYPSQIRKETETSVLLNRMMNDKKTRGGKIQFIVLNELGKVADHTFSRNELESWLNKWRLEETS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	362 (341)
Sequences:	4477 (3149)
Seq/√Len:	170.5

ECOLI - AROB
BACSU - AROB
SULSO - AROB

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
201_L	290_R	4.467	1.00
334_N	338_K	3.141	1.00
124_D	161_K	3.126	1.00
86_Q	118_T	2.981	1.00
80_D	83_T	2.925	1.00
231_Q	238_I	2.840	1.00
176_K	265_D	2.830	1.00
100_I	112_A	2.807	1.00
117_A	156_A	2.797	1.00
244_F	271_M	2.687	1.00
281_T	348_E	2.422	1.00
255_E	316_R	2.411	1.00
82_Y	115_V	2.365	1.00
174_P	177_E	2.255	1.00
345_S	348_E	2.252	1.00
334_N	340_A	2.250	1.00
89_A	100_I	2.203	1.00
279_E	288_R	2.203	1.00
188_H	221_G	2.194	1.00
44_D	72_S	2.160	1.00
278_S	333_L	2.158	1.00
311_S	350_E	2.154	1.00
193_D	220_K	2.147	1.00
280_K	351_S	2.144	1.00
114_F	118_T	2.094	1.00
89_A	94_M	2.091	1.00
238_I	241_Y	2.080	1.00
48_D	52_G	2.059	1.00
109_G	137_S	2.047	1.00
220_K	223_S	2.040	1.00
223_S	227_S	2.021	1.00
219_F	223_S	2.018	1.00
66_K	92_F	1.961	1.00
46_E	72_S	1.955	1.00
186_I	298_L	1.943	1.00
79_M	145_V	1.929	1.00
52_G	67_K	1.913	1.00
175_E	179_R	1.892	1.00
94_M	98_S	1.885	1.00
68_V	88_E	1.871	1.00
40_M	89_A	1.858	1.00
227_S	231_Q	1.855	1.00
192_Y	224_I	1.844	1.00
150_G	153_L	1.834	1.00
190_F	291_L	1.819	1.00
87_S	149_L	1.806	1.00
190_F	333_L	1.794	1.00
42_V	112_A	1.793	1.00
147_H	154_I	1.780	1.00
284_C	287_D	1.773	1.00
275_L	291_L	1.769	1.00
88_E	92_F	1.767	1.00
23_K	54_E	1.751	1.00
48_D	69_T	1.748	1.00
241_Y	339_V	1.738	1.00
82_Y	86_Q	1.715	1.00
15_V	222_I	1.704	1.00
261_I	269_L	1.693	1.00
276_Y	292_V	1.657	1.00
194_R	198_E	1.652	1.00
192_Y	227_S	1.648	1.00
82_Y	118_T	1.647	1.00
335_E	338_K	1.628	1.00
175_E	209_I	1.628	1.00
202_N	205_S	1.626	1.00
40_M	94_M	1.621	1.00
97_S	324_R	1.616	1.00
228_V	241_Y	1.608	1.00
309_E	312_V	1.573	1.00
102_A	112_A	1.569	1.00
70_V	108_V	1.560	1.00
279_E	285_E	1.556	1.00
159_Q	233_E	1.551	1.00
38_R	64_P	1.548	1.00
271_M	295_L	1.523	1.00
333_L	339_V	1.522	1.00
197_L	336_L	1.521	1.00
248_L	273_F	1.500	1.00
318_M	346_R	1.492	1.00
204_H	297_S	1.480	1.00
82_Y	144_A	1.470	1.00
79_M	83_T	1.465	1.00
53_D	57_H	1.464	1.00
195_A	198_E	1.449	1.00
285_E	289_K	1.445	1.00
139_V	222_I	1.444	1.00
272_Q	292_V	1.413	1.00
45_E	71_P	1.412	1.00
199_E	217_M	1.411	1.00
43_T	48_D	1.411	1.00
268_A	295_L	1.407	1.00
24_K	27_E	1.402	1.00
87_S	91_R	1.401	1.00
88_E	91_R	1.375	1.00
81_M	84_K	1.369	1.00
85_L	111_L	1.368	1.00
56_L	67_K	1.364	1.00
277_I	330_F	1.352	1.00
180_S	262_T	1.347	1.00
70_V	76_A	1.344	1.00
312_V	315_N	1.319	1.00
20_G	168_D	1.319	1.00
40_M	88_E	1.314	1.00
188_H	224_I	1.308	1.00
85_L	115_V	1.307	1.00
109_G	127_Q	1.299	1.00
82_Y	145_V	1.295	1.00
327_K	343_T	1.285	1.00
19_Q	168_D	1.284	1.00
254_A	316_R	1.283	1.00
191_I	244_F	1.283	1.00
287_D	335_E	1.280	1.00
167_T	218_I	1.278	1.00
216_D	220_K	1.275	1.00
346_R	350_E	1.272	1.00
40_M	68_V	1.263	1.00
53_D	56_L	1.263	1.00
314_L	350_E	1.245	1.00
190_F	197_L	1.234	1.00
39_I	99_C	1.234	1.00
199_E	202_N	1.227	1.00
98_S	123_I	1.222	1.00
45_E	72_S	1.212	1.00
82_Y	111_L	1.210	1.00
87_S	147_H	1.204	1.00
314_L	318_M	1.200	1.00
135_H	170_L	1.196	1.00
182_M	185_V	1.188	1.00
68_V	85_L	1.180	1.00
42_V	115_V	1.177	1.00
131_T	134_A	1.173	1.00
117_A	158_Y	1.170	1.00
39_I	101_I	1.170	1.00
18_G	167_T	1.169	1.00
255_E	312_V	1.167	1.00
213_Q	216_D	1.162	1.00
287_D	336_L	1.152	1.00
42_V	100_I	1.149	1.00
199_E	216_D	1.147	1.00
93_H	319_N	1.146	1.00
203_I	298_L	1.140	1.00
226_A	230_Q	1.135	1.00
95_D	98_S	1.122	1.00
177_E	262_T	1.121	1.00
171_R	211_N	1.119	1.00
76_A	81_M	1.117	1.00
26_C	58_L	1.115	1.00
56_L	60_Q	1.112	1.00
196_F	199_E	1.101	1.00
289_K	293_S	1.098	1.00
118_T	156_A	1.095	1.00
43_T	108_V	1.093	1.00
310_T	350_E	1.090	1.00
277_I	352_W	1.087	1.00
244_F	291_L	1.083	1.00
165_Y	222_I	1.082	1.00
292_V	296_K	1.073	1.00
167_T	215_N	1.071	1.00
196_F	217_M	1.069	1.00
206_L	217_M	1.063	1.00
48_D	67_K	1.062	1.00
16_F	162_A	1.057	0.99
262_T	265_D	1.056	0.99
178_L	209_I	1.055	0.99
197_L	290_R	1.054	0.99
276_Y	279_E	1.052	0.99
45_E	49_R	1.051	0.99
248_L	274_A	1.046	0.99
177_E	180_S	1.041	0.99
244_F	275_L	1.036	0.99
274_A	331_I	1.035	0.99
272_Q	295_L	1.031	0.99
249_G	266_A	1.024	0.99
14_P	162_A	1.020	0.99
125_F	158_Y	1.018	0.99
70_V	111_L	1.017	0.99
41_F	56_L	1.012	0.99
240_A	329_Q	1.001	0.99
55_M	103_F	0.998	0.99
18_G	24_K	0.997	0.99
100_I	123_I	0.996	0.99
350_E	354_N	0.991	0.99
185_V	200_L	0.990	0.99
269_L	272_Q	0.988	0.99
304_I	313_L	0.985	0.99
279_E	286_M	0.984	0.99
43_T	47_V	0.971	0.99
205_S	213_Q	0.968	0.99
91_R	149_L	0.962	0.99
76_A	107_V	0.961	0.99
84_K	88_E	0.961	0.99
99_C	124_D	0.960	0.99
314_L	346_R	0.959	0.99
268_A	300_Y	0.956	0.99
79_M	82_Y	0.956	0.99
44_D	76_A	0.956	0.99
76_A	108_V	0.954	0.99
227_S	230_Q	0.953	0.99
101_I	128_M	0.953	0.99
310_T	354_N	0.953	0.99
87_S	148_P	0.949	0.99
70_V	81_M	0.947	0.99
25_A	55_M	0.945	0.99
66_K	94_M	0.939	0.99
38_R	98_S	0.939	0.99
36_L	124_D	0.938	0.99
168_D	171_R	0.937	0.99
275_L	284_C	0.933	0.99
276_Y	352_W	0.928	0.99
79_M	86_Q	0.928	0.99
278_S	284_C	0.928	0.99
179_R	299_G	0.927	0.99
25_A	164_L	0.924	0.99
18_G	21_I	0.924	0.99
276_Y	280_K	0.920	0.99
43_T	69_T	0.912	0.99
332_V	341_D	0.912	0.99
27_E	31_S	0.910	0.98
188_H	196_F	0.908	0.98
90_I	147_H	0.901	0.98
20_G	23_K	0.901	0.98
71_P	81_M	0.898	0.98
158_Y	234_K	0.897	0.98
296_K	302_S	0.895	0.98
55_M	59_L	0.894	0.98
330_F	344_F	0.890	0.98
249_G	267_V	0.887	0.98
40_M	66_K	0.885	0.98
283_G	340_A	0.883	0.98
235_E	240_A	0.883	0.98
210_T	213_Q	0.882	0.98
348_E	351_S	0.882	0.98
28_L	164_L	0.882	0.98
281_T	345_S	0.879	0.98
103_F	169_F	0.876	0.98
194_R	335_E	0.875	0.98
41_F	52_G	0.874	0.98
347_N	351_S	0.871	0.98
194_R	336_L	0.869	0.98
102_A	127_Q	0.862	0.98
256_Y	261_I	0.861	0.98
223_S	226_A	0.860	0.98
47_V	51_Y	0.860	0.98
165_Y	218_I	0.858	0.98
278_S	332_V	0.855	0.98
201_L	293_S	0.850	0.98
19_Q	171_R	0.850	0.98
327_K	342_H	0.847	0.98
192_Y	238_I	0.845	0.98
51_Y	103_F	0.845	0.98
143_V	156_A	0.843	0.98
57_H	60_Q	0.842	0.97
42_V	85_L	0.841	0.97
186_I	295_L	0.836	0.97
278_S	283_G	0.834	0.97
189_A	196_F	0.833	0.97
16_F	28_L	0.824	0.97
132_L	178_L	0.824	0.97
95_D	323_T	0.821	0.97
52_G	56_L	0.816	0.97
22_R	169_F	0.811	0.97
216_D	223_S	0.805	0.97
205_S	210_T	0.804	0.97
146_N	177_E	0.803	0.97
100_I	116_A	0.801	0.97
191_I	241_Y	0.799	0.97
192_Y	228_V	0.791	0.96
135_H	165_Y	0.787	0.96
44_D	47_V	0.787	0.96
46_E	76_A	0.785	0.96
200_L	294_W	0.779	0.96
51_Y	172_S	0.779	0.96
284_C	291_L	0.779	0.96
17_I	219_F	0.779	0.96
280_K	348_E	0.775	0.96
46_E	131_T	0.774	0.96
37_T	95_D	0.774	0.96
103_F	128_M	0.774	0.96
83_T	87_S	0.773	0.96
95_D	326_G	0.772	0.96
203_I	297_S	0.769	0.96
190_F	244_F	0.764	0.96
176_K	262_T	0.763	0.96
341_D	344_F	0.760	0.95
286_M	289_K	0.760	0.95
139_V	226_A	0.757	0.95
72_S	76_A	0.756	0.95
272_Q	302_S	0.752	0.95
41_F	55_M	0.750	0.95
78_S	81_M	0.749	0.95
186_I	294_W	0.747	0.95
216_D	219_F	0.746	0.95
24_K	28_L	0.745	0.95
215_N	219_F	0.744	0.95
56_L	65_V	0.741	0.95
68_V	84_K	0.740	0.95
120_M	153_L	0.739	0.95
288_R	292_V	0.739	0.95
120_M	144_A	0.738	0.95
292_V	303_Q	0.737	0.95
332_V	340_A	0.737	0.95
182_M	298_L	0.735	0.95
277_I	348_E	0.733	0.94
183_A	268_A	0.731	0.94
276_Y	288_R	0.729	0.94
129_P	134_A	0.727	0.94
158_Y	161_K	0.724	0.94
198_E	201_L	0.721	0.94
107_V	146_N	0.721	0.94
198_E	290_R	0.719	0.94
28_L	162_A	0.718	0.94
90_I	153_L	0.717	0.94
274_A	332_V	0.717	0.94
178_L	214_L	0.712	0.94
274_A	278_S	0.712	0.94
179_R	207_R	0.712	0.94
94_M	119_F	0.712	0.94
43_T	52_G	0.712	0.94
41_F	65_V	0.709	0.93
185_V	188_H	0.707	0.93
28_L	31_S	0.706	0.93
150_G	258_Y	0.704	0.93
275_L	333_L	0.703	0.93
43_T	67_K	0.701	0.93
289_K	292_V	0.701	0.93
239_R	243_N	0.699	0.93
284_C	333_L	0.699	0.93
243_N	321_K	0.698	0.93
90_I	119_F	0.697	0.93
280_K	352_W	0.696	0.93
274_A	330_F	0.695	0.93
11_S	161_K	0.692	0.93
127_Q	137_S	0.689	0.92
197_L	294_W	0.687	0.92
269_L	273_F	0.686	0.92
109_G	134_A	0.686	0.92
43_T	73_G	0.684	0.92
180_S	265_D	0.683	0.92
78_S	146_N	0.682	0.92
19_Q	167_T	0.681	0.92
199_E	213_Q	0.680	0.92
217_M	221_G	0.678	0.92
19_Q	215_N	0.677	0.92
279_E	284_C	0.674	0.92
329_Q	342_H	0.672	0.91
45_E	69_T	0.671	0.91
255_E	313_L	0.668	0.91
275_L	288_R	0.668	0.91
221_G	224_I	0.667	0.91
29_L	99_C	0.665	0.91
273_F	352_W	0.665	0.91
283_G	334_N	0.663	0.91
197_L	291_L	0.662	0.91
54_E	57_H	0.661	0.91
101_I	126_I	0.660	0.91
203_I	206_L	0.659	0.91
272_Q	276_Y	0.657	0.91
344_F	349_L	0.654	0.90
55_M	128_M	0.650	0.90
256_Y	260_Q	0.647	0.90
281_T	343_T	0.646	0.90
80_D	84_K	0.644	0.90
46_E	49_R	0.644	0.90
25_A	128_M	0.643	0.90
54_E	58_L	0.640	0.89
147_H	150_G	0.636	0.89
305_R	308_T	0.635	0.89
76_A	111_L	0.633	0.89
93_H	315_N	0.633	0.89
191_I	224_I	0.632	0.89
191_I	271_M	0.630	0.89
102_A	109_G	0.630	0.89
38_R	94_M	0.627	0.88
86_Q	154_I	0.627	0.88
124_D	158_Y	0.627	0.88
78_S	82_Y	0.626	0.88
60_Q	64_P	0.625	0.88
283_G	332_V	0.625	0.88
55_M	101_I	0.624	0.88
37_T	99_C	0.624	0.88
60_Q	65_V	0.624	0.88
40_M	98_S	0.623	0.88
351_S	354_N	0.623	0.88
240_A	324_R	0.623	0.88
18_G	166_D	0.621	0.88
46_E	50_L	0.619	0.88
227_S	238_I	0.619	0.88
201_L	294_W	0.619	0.88
331_I	341_D	0.619	0.88
38_R	95_D	0.617	0.88
43_T	103_F	0.617	0.88
293_S	297_S	0.616	0.88
269_L	301_P	0.615	0.87
120_M	323_T	0.615	0.87
244_F	333_L	0.613	0.87
38_R	66_K	0.611	0.87
120_M	319_N	0.610	0.87
199_E	220_K	0.609	0.87
111_L	115_V	0.609	0.87
296_K	303_Q	0.608	0.87
252_V	261_I	0.607	0.87
90_I	149_L	0.607	0.87
239_R	321_K	0.606	0.87
252_V	269_L	0.606	0.87
293_S	296_K	0.606	0.87
17_I	222_I	0.606	0.87
271_M	291_L	0.605	0.87
66_K	88_E	0.603	0.86
97_S	325_G	0.603	0.86
78_S	111_L	0.601	0.86
45_E	76_A	0.598	0.86
120_M	123_I	0.596	0.86
140_G	243_N	0.596	0.86
17_I	215_N	0.596	0.86
193_D	224_I	0.596	0.86
261_I	265_D	0.594	0.86
329_Q	343_T	0.593	0.86
109_G	138_A	0.593	0.86
312_V	316_R	0.592	0.85
96_R	157_F	0.591	0.85
197_L	201_L	0.587	0.85
204_H	208_D	0.585	0.85
125_F	159_Q	0.585	0.85
37_T	325_G	0.585	0.85
233_E	236_E	0.584	0.85
313_L	317_M	0.584	0.85
194_R	290_R	0.584	0.85
272_Q	288_R	0.581	0.84
28_L	32_L	0.579	0.84
29_L	101_I	0.578	0.84
132_L	218_I	0.578	0.84
231_Q	237_G	0.577	0.84
141_G	239_R	0.577	0.84
132_L	185_V	0.576	0.84
294_W	297_S	0.576	0.84
126_I	162_A	0.574	0.84
141_G	243_N	0.573	0.84
234_K	238_I	0.571	0.83
347_N	350_E	0.570	0.83
311_S	346_R	0.570	0.83
99_C	126_I	0.570	0.83
26_C	63_W	0.569	0.83
29_L	36_L	0.567	0.83
254_A	258_Y	0.565	0.83
249_G	271_M	0.564	0.83
316_R	319_N	0.564	0.83
333_L	340_A	0.561	0.82
18_G	165_Y	0.559	0.82
179_R	265_D	0.558	0.82
20_G	166_D	0.557	0.82
194_R	287_D	0.554	0.81
130_T	169_F	0.550	0.81
49_R	72_S	0.549	0.81
171_R	209_I	0.548	0.81
185_V	217_M	0.546	0.81
51_Y	169_F	0.545	0.80
119_F	150_G	0.541	0.80
137_S	249_G	0.541	0.80
201_L	297_S	0.541	0.80
147_H	153_L	0.541	0.80
97_S	236_E	0.541	0.80
41_F	67_K	0.540	0.80
11_S	234_K	0.540	0.80
89_A	115_V	0.540	0.80
183_A	271_M	0.539	0.80
254_A	319_N	0.538	0.80
37_T	98_S	0.537	0.79
98_S	124_D	0.535	0.79
277_I	344_F	0.534	0.79
37_T	64_P	0.534	0.79
118_T	144_A	0.533	0.79
119_F	153_L	0.532	0.79
94_M	120_M	0.532	0.79
207_R	299_G	0.530	0.79
36_L	99_C	0.528	0.78
52_G	103_F	0.527	0.78
331_I	339_V	0.527	0.78
99_C	161_K	0.527	0.78
81_M	111_L	0.526	0.78
179_R	182_M	0.525	0.78
291_L	295_L	0.524	0.78
70_V	85_L	0.523	0.78
200_L	298_L	0.523	0.78
192_Y	241_Y	0.523	0.78
68_V	92_F	0.523	0.78
175_E	299_G	0.522	0.78
243_N	322_K	0.522	0.78
22_R	54_E	0.521	0.77
54_E	168_D	0.521	0.77
290_R	293_S	0.520	0.77
182_M	186_I	0.520	0.77
219_F	227_S	0.519	0.77
129_P	133_L	0.518	0.77
323_T	328_I	0.518	0.77
165_Y	188_H	0.517	0.77
57_H	61_E	0.515	0.77
79_M	118_T	0.515	0.77
27_E	30_T	0.514	0.76
349_L	352_W	0.514	0.76
95_D	120_M	0.514	0.76
135_H	218_I	0.513	0.76
15_V	165_Y	0.513	0.76
78_S	145_V	0.512	0.76
11_S	233_E	0.510	0.76
311_S	315_N	0.509	0.76
252_V	256_Y	0.508	0.76
229_V	243_N	0.507	0.76
134_A	137_S	0.505	0.75
39_I	63_W	0.505	0.75
255_E	309_E	0.504	0.75
47_V	103_F	0.501	0.75
175_E	178_L	0.500	0.75

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
2gruA	2	0.9751	100	0.292	Contact Map
3zokA	4	0.9862	100	0.297	Contact Map
3okfA	3	0.9834	100	0.31	Contact Map
1ujnA	2	0.9199	100	0.327	Contact Map
1xahA	1	0.9061	100	0.33	Contact Map
3qbeA	1	0.9558	100	0.333	Contact Map
4p53A	2	0.9641	100	0.343	Contact Map
1sg6A	1	0.9365	100	0.344	Contact Map
3clhA	2	0.8425	100	0.372	Contact Map
3ce9A	3	0.895	100	0.543	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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