PURK - ECOLI - GREMLIN Contacts

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PURK - N5-carboxyaminoimidazole ribonucleotide synthase

UniProt:	P09029	Sequences: MKQVCVLGNGQLGRMLRQAGEPLGIAVWPVGLDAEPAAVPFQQSVITAEIERWPETALTRELARHPAFVNRDVFPIIADRLTQKQLFDKLHLPTAPWQLLAERSEWPAVFDRLGELAIVKRRTGGYDGRGQWRLRANETEQLPAECYGECIVEQGINFSGEVSLVGARGFDGSTVFYPLTHNLHQDGILRTSVAFPQANAQQQAQAEEMLSAIMQELGYVGVMAMECFVTPQGLLINELAPRVHNSGHWTQNGASISQFELHLRAITDLPLPQPVVNNPSVMINLIGSDVNYDWLKLPLVHLHWYDKEVRPGRKVGHLNLTDSDTSRLTATLEALIPLLPPEYASGVIWAQSKFG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10796
Length:	355 (332)
Sequences:	22193 (11950)
Seq/√Len:	655.8

ECOLI - PURK ACCC PURT PUR2 CARB DDLB RIMK DDLA
BACSU - PURK ACCC1 PURT ACCC2 PUR2 BACD CARB CARY DDL PYC
HALSA - Q9HQ67 Q9HRM3 Q9HPP8 CARB Q9HSS5
SULSO - PURK Q97VY6 PURT Q7LXR2 CARB

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
111_D	137_N	3.648	1.00
96_P	154_Q	3.145	1.00
107_P	140_E	3.132	1.00
3_Q	26_A	3.120	1.00
102_E	105_E	3.008	1.00
136_A	139_T	2.996	1.00
208_E	212_A	2.868	1.00
322_D	327_R	2.776	1.00
59_T	75_P	2.617	1.00
115_E	137_N	2.595	1.00
209_M	212_A	2.544	1.00
98_Q	112_R	2.456	1.00
264_R	269_L	2.383	1.00
324_D	327_R	2.367	1.00
211_S	215_Q	2.352	1.00
89_K	216_E	2.293	1.00
204_A	208_E	2.266	1.00
19_A	22_P	2.231	1.00
230_T	233_G	2.142	1.00
135_R	139_T	2.140	1.00
200_A	204_A	2.077	1.00
87_F	213_I	2.056	1.00
199_N	202_Q	1.962	1.00
133_R	155_G	1.933	1.00
255_S	277_N	1.928	1.00
301_H	304_W	1.921	1.00
59_T	63_A	1.915	1.00
109_V	112_R	1.888	1.00
168_R	174_T	1.882	1.00
60_R	64_R	1.856	1.00
109_V	113_L	1.855	1.00
82_T	85_Q	1.849	1.00
170_F	220_V	1.845	1.00
6_V	17_R	1.828	1.00
85_Q	89_K	1.821	1.00
260_E	264_R	1.815	1.00
209_M	234_L	1.802	1.00
323_S	327_R	1.802	1.00
137_N	140_E	1.791	1.00
303_H	306_D	1.778	1.00
194_A	253_G	1.770	1.00
157_N	231_P	1.758	1.00
135_R	157_N	1.741	1.00
103_R	140_E	1.737	1.00
61_E	64_R	1.735	1.00
75_P	82_T	1.716	1.00
301_H	305_Y	1.705	1.00
22_P	260_E	1.702	1.00
140_E	144_A	1.693	1.00
20_G	27_V	1.674	1.00
103_R	107_P	1.668	1.00
301_H	306_D	1.653	1.00
202_Q	205_Q	1.640	1.00
103_R	144_A	1.638	1.00
107_P	137_N	1.629	1.00
70_N	73_V	1.619	1.00
167_A	261_L	1.607	1.00
304_W	307_K	1.604	1.00
19_A	260_E	1.591	1.00
46_I	65_H	1.590	1.00
283_I	332_L	1.590	1.00
85_Q	88_D	1.585	1.00
81_L	85_Q	1.572	1.00
205_Q	209_M	1.571	1.00
212_A	215_Q	1.555	1.00
54_P	78_A	1.553	1.00
98_Q	109_V	1.542	1.00
90_L	216_E	1.529	1.00
76_I	86_L	1.527	1.00
108_A	112_R	1.514	1.00
86_L	216_E	1.510	1.00
81_L	99_L	1.505	1.00
117_A	152_V	1.499	1.00
205_Q	208_E	1.476	1.00
110_F	115_E	1.465	1.00
141_Q	145_E	1.460	1.00
4_V	67_A	1.454	1.00
122_R	149_E	1.454	1.00
86_L	90_L	1.445	1.00
167_A	222_V	1.442	1.00
202_Q	229_V	1.437	1.00
76_I	82_T	1.434	1.00
169_G	173_S	1.431	1.00
162_V	229_V	1.431	1.00
101_A	105_E	1.418	1.00
84_K	153_E	1.413	1.00
88_D	96_P	1.408	1.00
60_R	63_A	1.401	1.00
204_A	207_E	1.400	1.00
252_N	319_N	1.392	1.00
292_Y	295_L	1.384	1.00
87_F	236_I	1.374	1.00
54_P	57_A	1.369	1.00
86_L	89_K	1.357	1.00
302_L	305_Y	1.350	1.00
107_P	111_D	1.342	1.00
79_D	122_R	1.338	1.00
14_R	43_Q	1.322	1.00
255_S	275_V	1.322	1.00
110_F	117_A	1.316	1.00
154_Q	235_L	1.314	1.00
85_Q	97_W	1.308	1.00
108_A	111_D	1.306	1.00
252_N	321_T	1.303	1.00
156_I	237_N	1.302	1.00
72_D	76_I	1.293	1.00
300_V	303_H	1.282	1.00
53_W	57_A	1.277	1.00
164_L	206_A	1.273	1.00
37_A	43_Q	1.273	1.00
62_L	70_N	1.272	1.00
166_G	214_M	1.264	1.00
18_Q	22_P	1.259	1.00
105_E	108_A	1.256	1.00
83_Q	87_F	1.256	1.00
115_E	136_A	1.246	1.00
326_S	330_A	1.244	1.00
104_S	107_P	1.243	1.00
101_A	149_E	1.239	1.00
46_I	61_E	1.237	1.00
4_V	25_I	1.235	1.00
103_R	143_P	1.230	1.00
4_V	20_G	1.230	1.00
301_H	308_E	1.217	1.00
118_I	133_R	1.215	1.00
302_L	306_D	1.209	1.00
59_T	72_D	1.209	1.00
167_A	265_A	1.205	1.00
88_D	94_T	1.198	1.00
62_L	71_R	1.197	1.00
104_S	108_A	1.193	1.00
52_R	56_T	1.189	1.00
5_C	30_V	1.187	1.00
306_D	309_V	1.186	1.00
176_F	207_E	1.186	1.00
203_Q	207_E	1.182	1.00
303_H	307_K	1.179	1.00
286_I	313_R	1.174	1.00
171_D	270_P	1.173	1.00
77_I	239_L	1.171	1.00
23_L	264_R	1.168	1.00
53_W	56_T	1.165	1.00
144_A	148_G	1.161	1.00
100_L	109_V	1.158	1.00
207_E	211_S	1.158	1.00
322_D	331_T	1.157	1.00
84_K	94_T	1.153	1.00
333_E	337_P	1.147	1.00
3_Q	28_W	1.138	1.00
198_A	202_Q	1.138	1.00
327_R	331_T	1.137	1.00
214_M	217_L	1.136	1.00
200_A	203_Q	1.133	1.00
166_G	210_L	1.128	1.00
81_L	122_R	1.125	1.00
99_L	149_E	1.124	1.00
31_G	36_P	1.123	1.00
24_G	260_E	1.120	1.00
322_D	328_L	1.116	1.00
25_I	267_T	1.116	1.00
320_L	332_L	1.100	1.00
96_P	113_L	1.093	1.00
132_W	145_E	1.090	1.00
318_L	335_L	1.089	1.00
166_G	225_M	1.081	1.00
52_R	57_A	1.076	1.00
174_T	211_S	1.073	1.00
201_Q	205_Q	1.068	1.00
93_P	209_M	1.066	1.00
52_R	55_E	1.059	1.00
16_L	47_T	1.054	1.00
272_P	276_V	1.043	1.00
143_P	147_Y	1.038	1.00
132_W	146_C	1.038	1.00
70_N	220_V	1.030	1.00
251_Q	319_N	1.030	1.00
213_I	217_L	1.021	1.00
118_I	155_G	1.021	1.00
27_V	42_Q	1.018	1.00
100_L	106_W	1.016	1.00
208_E	211_S	1.012	1.00
229_V	234_L	1.011	1.00
111_D	140_E	1.007	1.00
23_L	257_S	1.007	1.00
329_T	333_E	1.002	1.00
72_D	75_P	0.994	1.00
88_D	97_W	0.991	1.00
205_Q	233_G	0.990	1.00
294_W	297_L	0.989	1.00
331_T	334_A	0.987	1.00
334_A	337_P	0.984	1.00
166_G	223_M	0.981	1.00
288_S	291_N	0.976	1.00
243_V	258_Q	0.976	1.00
261_L	264_R	0.973	1.00
303_H	308_E	0.973	1.00
160_G	181_H	0.972	1.00
256_I	261_L	0.965	1.00
141_Q	144_A	0.962	1.00
21_E	43_Q	0.961	1.00
92_L	236_I	0.958	1.00
158_F	231_P	0.957	1.00
96_P	112_R	0.957	1.00
113_L	117_A	0.951	1.00
330_A	334_A	0.951	1.00
132_W	142_L	0.950	1.00
225_M	239_L	0.950	1.00
210_L	227_C	0.950	1.00
66_P	267_T	0.948	1.00
157_N	230_T	0.945	1.00
168_R	215_Q	0.940	1.00
191_T	194_A	0.939	1.00
213_I	216_E	0.939	1.00
4_V	263_L	0.938	1.00
59_T	62_L	0.937	1.00
23_L	260_E	0.936	1.00
178_P	203_Q	0.933	1.00
138_E	141_Q	0.930	1.00
20_G	263_L	0.926	1.00
320_L	335_L	0.923	1.00
174_T	215_Q	0.915	1.00
167_A	177_Y	0.913	1.00
59_T	71_R	0.909	1.00
164_L	207_E	0.899	1.00
103_R	147_Y	0.898	1.00
33_D	36_P	0.897	1.00
210_L	225_M	0.885	1.00
47_T	262_H	0.883	1.00
164_L	210_L	0.882	1.00
81_L	149_E	0.879	1.00
3_Q	44_S	0.871	1.00
118_I	131_Q	0.869	1.00
160_G	229_V	0.869	1.00
302_L	307_K	0.868	1.00
212_A	216_E	0.866	1.00
3_Q	27_V	0.865	1.00
293_D	297_L	0.860	1.00
119_V	150_C	0.859	1.00
178_P	194_A	0.858	1.00
168_R	214_M	0.855	1.00
77_I	217_L	0.853	1.00
264_R	267_T	0.851	1.00
185_Q	190_R	0.851	1.00
66_P	170_F	0.845	1.00
293_D	296_K	0.842	1.00
6_V	20_G	0.841	1.00
17_R	27_V	0.840	1.00
134_L	142_L	0.840	1.00
143_P	150_C	0.835	1.00
214_M	223_M	0.835	1.00
117_A	134_L	0.831	1.00
62_L	220_V	0.829	1.00
305_Y	308_E	0.824	1.00
201_Q	204_A	0.824	1.00
73_V	218_G	0.823	1.00
106_W	143_P	0.822	1.00
156_I	235_L	0.819	1.00
181_H	197_Q	0.816	1.00
162_V	206_A	0.811	1.00
228_F	237_N	0.810	1.00
119_V	142_L	0.809	1.00
263_L	267_T	0.809	1.00
286_I	291_N	0.807	1.00
21_E	27_V	0.806	1.00
173_S	215_Q	0.804	1.00
29_P	40_P	0.803	1.00
70_N	218_G	0.800	1.00
205_Q	234_L	0.799	1.00
206_A	234_L	0.797	1.00
51_E	54_P	0.797	1.00
88_D	98_Q	0.794	1.00
282_M	290_V	0.793	1.00
37_A	42_Q	0.784	1.00
283_I	291_N	0.783	1.00
273_Q	276_V	0.782	1.00
320_L	328_L	0.782	1.00
281_V	328_L	0.781	1.00
294_W	298_P	0.781	1.00
300_V	306_D	0.773	1.00
20_G	47_T	0.771	1.00
305_Y	309_V	0.768	1.00
300_V	305_Y	0.767	1.00
164_L	179_L	0.765	1.00
193_V	325_T	0.762	1.00
14_R	40_P	0.760	1.00
301_H	309_V	0.760	1.00
119_V	134_L	0.758	1.00
279_P	323_S	0.758	1.00
277_N	321_T	0.752	1.00
37_A	41_F	0.751	1.00
61_E	66_P	0.746	1.00
165_V	222_V	0.744	1.00
327_R	330_A	0.744	1.00
17_R	43_Q	0.741	1.00
301_H	307_K	0.740	1.00
145_E	148_G	0.740	1.00
282_M	285_L	0.732	1.00
220_V	265_A	0.729	1.00
171_D	268_D	0.728	1.00
213_I	239_L	0.728	1.00
169_G	271_L	0.728	1.00
146_C	150_C	0.724	1.00
105_E	109_V	0.724	1.00
36_P	39_V	0.723	1.00
300_V	304_W	0.718	1.00
58_L	62_L	0.715	1.00
20_G	25_I	0.714	1.00
198_A	203_Q	0.713	1.00
283_I	290_V	0.713	1.00
30_V	41_F	0.712	1.00
295_L	328_L	0.710	1.00
281_V	290_V	0.709	1.00
82_T	86_L	0.706	1.00
113_L	154_Q	0.706	1.00
122_R	151_I	0.705	1.00
284_N	287_G	0.703	1.00
286_I	290_V	0.702	1.00
175_V	274_P	0.701	1.00
110_F	114_G	0.699	1.00
281_V	329_T	0.697	1.00
176_F	211_S	0.696	1.00
81_L	151_I	0.696	1.00
62_L	72_D	0.696	1.00
98_Q	105_E	0.693	1.00
276_V	279_P	0.692	1.00
183_L	191_T	0.691	1.00
262_H	266_I	0.691	1.00
45_V	48_A	0.689	1.00
119_V	143_P	0.686	1.00
168_R	220_V	0.685	1.00
173_S	270_P	0.682	1.00
165_V	224_A	0.679	1.00
326_S	329_T	0.676	1.00
85_Q	99_L	0.674	1.00
164_L	227_C	0.674	1.00
296_K	299_L	0.673	1.00
106_W	152_V	0.672	1.00
19_A	23_L	0.671	1.00
292_Y	297_L	0.670	1.00
156_I	230_T	0.669	1.00
238_E	242_R	0.664	1.00
114_G	137_N	0.662	1.00
142_L	146_C	0.661	1.00
61_E	65_H	0.660	1.00
31_G	41_F	0.660	1.00
79_D	149_E	0.659	1.00
185_Q	189_L	0.657	1.00
219_Y	223_M	0.655	1.00
193_V	196_P	0.654	1.00
164_L	176_F	0.653	1.00
229_V	233_G	0.652	1.00
174_T	214_M	0.652	1.00
17_R	40_P	0.650	1.00
39_V	43_Q	0.649	1.00
177_Y	258_Q	0.648	1.00
27_V	31_G	0.647	1.00
304_W	308_E	0.646	1.00
103_R	106_W	0.644	1.00
230_T	235_L	0.644	1.00
332_L	336_I	0.643	1.00
180_T	192_S	0.643	1.00
109_V	152_V	0.635	1.00
119_V	152_V	0.634	1.00
281_V	291_N	0.632	1.00
209_M	227_C	0.632	1.00
285_L	288_S	0.630	1.00
107_P	144_A	0.629	1.00
71_R	75_P	0.628	1.00
294_W	299_L	0.626	1.00
142_L	145_E	0.625	1.00
179_L	196_P	0.622	1.00
79_D	82_T	0.621	1.00
73_V	220_V	0.620	1.00
31_G	34_A	0.619	1.00
86_L	217_L	0.616	1.00
147_Y	150_C	0.616	1.00
178_P	253_G	0.615	1.00
181_H	196_P	0.615	1.00
283_I	317_H	0.614	1.00
175_V	273_Q	0.614	1.00
282_M	286_I	0.613	1.00
232_Q	235_L	0.613	1.00
328_L	332_L	0.610	1.00
190_R	286_I	0.610	1.00
209_M	213_I	0.610	1.00
225_M	236_I	0.608	1.00
80_R	120_K	0.607	1.00
300_V	307_K	0.606	1.00
192_S	196_P	0.606	1.00
179_L	203_Q	0.605	1.00
166_G	176_F	0.605	1.00
76_I	89_K	0.604	1.00
279_P	321_T	0.604	1.00
87_F	239_L	0.603	1.00
34_A	37_A	0.602	1.00
93_P	235_L	0.602	1.00
134_L	139_T	0.602	1.00
24_G	263_L	0.599	1.00
292_Y	296_K	0.598	1.00
154_Q	230_T	0.597	1.00
29_P	42_Q	0.595	1.00
282_M	291_N	0.594	1.00
287_G	291_N	0.593	1.00
110_F	143_P	0.593	1.00
287_G	290_V	0.591	1.00
102_E	143_P	0.591	1.00
23_L	263_L	0.590	1.00
165_V	180_T	0.590	1.00
116_L	155_G	0.589	1.00
229_V	232_Q	0.589	1.00
289_D	292_Y	0.589	1.00
162_V	196_P	0.588	1.00
210_L	214_M	0.588	1.00
107_P	110_F	0.586	1.00
180_T	196_P	0.586	1.00
202_Q	234_L	0.585	1.00
283_I	288_S	0.584	1.00
300_V	308_E	0.584	1.00
44_S	48_A	0.583	1.00
249_W	252_N	0.582	1.00
40_P	43_Q	0.580	1.00
251_Q	257_S	0.580	1.00
179_L	198_A	0.579	1.00
325_T	329_T	0.577	1.00
285_L	290_V	0.576	1.00
83_Q	236_I	0.576	1.00
166_G	174_T	0.575	1.00
185_Q	188_I	0.573	1.00
177_Y	254_A	0.571	1.00
258_Q	262_H	0.569	1.00
222_V	243_V	0.566	1.00
303_H	309_V	0.564	1.00
115_E	135_R	0.562	1.00
72_D	218_G	0.561	1.00
19_A	257_S	0.561	1.00
162_V	227_C	0.559	1.00
74_F	241_P	0.555	1.00
199_N	229_V	0.554	1.00
194_A	197_Q	0.554	1.00
55_E	78_A	0.553	1.00
281_V	288_S	0.552	1.00
162_V	198_A	0.551	1.00
72_D	82_T	0.550	1.00
110_F	113_L	0.550	1.00
281_V	286_I	0.548	1.00
92_L	209_M	0.548	1.00
139_T	142_L	0.547	1.00
261_L	274_P	0.546	1.00
320_L	331_T	0.545	1.00
30_V	40_P	0.545	1.00
282_M	287_G	0.543	1.00
194_A	249_W	0.542	1.00
58_L	61_E	0.539	1.00
263_L	266_I	0.539	1.00
199_N	233_G	0.537	1.00
256_I	272_P	0.536	1.00
181_H	193_V	0.535	1.00
115_E	134_L	0.534	1.00
254_A	276_V	0.534	1.00
169_G	268_D	0.534	1.00
135_R	155_G	0.533	1.00
12_L	243_V	0.532	1.00
304_W	309_V	0.531	0.99
95_A	237_N	0.531	0.99
267_T	270_P	0.529	0.99
84_K	97_W	0.529	0.99
206_A	227_C	0.527	0.99
106_W	109_V	0.526	0.99
84_K	88_D	0.525	0.99
132_W	141_Q	0.521	0.99
35_E	40_P	0.520	0.99
248_H	282_M	0.519	0.99
14_R	39_V	0.516	0.99
30_V	37_A	0.514	0.99
186_D	312_G	0.513	0.99
73_V	76_I	0.513	0.99
191_T	283_I	0.512	0.99
272_P	275_V	0.512	0.99
278_N	321_T	0.512	0.99
73_V	77_I	0.511	0.99
95_A	156_I	0.511	0.99
160_G	196_P	0.510	0.99
130_G	238_E	0.509	0.99
99_L	122_R	0.509	0.99
183_L	190_R	0.508	0.99
264_R	272_P	0.507	0.99
219_Y	241_P	0.506	0.99
302_L	309_V	0.505	0.99
25_I	28_W	0.505	0.99
192_S	249_W	0.504	0.99
286_I	336_I	0.503	0.99
33_D	37_A	0.503	0.99
87_F	92_L	0.502	0.99
67_A	266_I	0.502	0.99
103_R	148_G	0.502	0.99
38_A	41_F	0.501	0.99
42_Q	307_K	0.500	0.99
248_H	319_N	0.500	0.99

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
3ethA	2	0.9803	100	0.276	Contact Map
2dwcA	4	0.9606	100	0.299	Contact Map
3ax6A	2	0.9183	100	0.303	Contact Map
4mamA	2	0.9746	100	0.307	Contact Map
3aw8A	2	0.9493	100	0.317	Contact Map
1kjqA	2	0.9493	100	0.323	Contact Map
4e4tA	2	0.9634	100	0.325	Contact Map
3orqA	2	0.9493	100	0.327	Contact Map
3q2oA	2	0.9577	100	0.33	Contact Map
4rcnA	6	0.9183	100	0.335	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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