PURK - BACSU - GREMLIN Contacts

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PURK - N5-carboxyaminoimidazole ribonucleotide synthase

UniProt:	P12045	Sequences: MSKQIIYPGAVIGIIGGGQLGKMMAVSAKQMGYKVAVVDPVKDSPCGQVADVEITAHYNDREAIRKLAEISDIITYEFENIDYDALHWLKDHAYLPQGSELLLITQNRETEKKAIQSAGCEVAPYSIVKTKNELKQAVQELRLPAVLKTCRGGYDGKGQFVIKEEAQMEQAAALLEHGTCILESWVSFKMELSVIVVRSVNGEISTFPTAENIHHNNILFQSIVPARVEKGIQQKAADLAVKLADELNLVGPLAVEMFLTEDGELLVNELAPRPHNSGHYTLDLCETSQFEQHIRAVCGLPLGKTDLLKPGMMVNLLGDEVKLVEEDPELLKEAKLYIYGKHEIKKGRKMGHITFMKQPEDEWIQEITNKWMNRDGGQAE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	380 (357)
Sequences:	24068 (13491)
Seq/√Len:	714.0

ECOLI - PURT ACCC PURK PUR2 DDLB DDLA CARB RIMK
BACSU - PURK PURT ACCC2 ACCC1 PUR2 BACD PYC DDL CARB CARY
HALSA - Q9HRM3 Q9HQ67 Q9HPP8 CARB Q9HSS5
SULSO - PURT PURK Q97VY6 Q7LXR2 CARB Q7LXR0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
139_Q	165_E	3.484	1.00
124_P	184_S	3.215	1.00
164_E	167_Q	3.160	1.00
135_K	169_E	2.988	1.00
11_V	34_K	2.970	1.00
238_D	242_K	2.923	1.00
130_T	133_E	2.820	1.00
357_K	362_E	2.718	1.00
87_H	103_L	2.529	1.00
143_L	165_E	2.520	1.00
241_V	245_D	2.421	1.00
126_S	140_E	2.414	1.00
359_P	362_E	2.364	1.00
60_D	63_A	2.363	1.00
295_R	300_L	2.251	1.00
115_I	243_L	2.236	1.00
87_H	91_D	2.233	1.00
239_L	242_K	2.189	1.00
229_E	232_I	2.170	1.00
27_S	30_Q	2.165	1.00
117_S	246_E	2.104	1.00
337_Y	340_G	2.092	1.00
230_K	234_Q	2.057	1.00
260_T	264_E	2.018	1.00
163_K	167_Q	2.002	1.00
88_W	92_H	1.994	1.00
234_Q	238_D	1.929	1.00
165_E	169_E	1.922	1.00
235_K	264_E	1.899	1.00
341_K	344_I	1.884	1.00
161_V	185_W	1.854	1.00
187_S	261_E	1.853	1.00
335_K	338_I	1.851	1.00
82_D	106_Q	1.845	1.00
113_K	117_S	1.824	1.00
110_T	113_K	1.823	1.00
137_A	141_L	1.816	1.00
14_I	25_A	1.801	1.00
235_K	238_D	1.789	1.00
137_A	140_E	1.779	1.00
291_E	295_R	1.771	1.00
358_Q	362_E	1.742	1.00
109_E	127_I	1.723	1.00
224_V	284_L	1.714	1.00
239_L	265_L	1.705	1.00
65_R	92_H	1.703	1.00
109_E	113_K	1.692	1.00
169_E	173_A	1.691	1.00
334_A	337_Y	1.682	1.00
41_V	55_T	1.682	1.00
103_L	110_T	1.668	1.00
198_R	204_I	1.666	1.00
232_I	235_K	1.661	1.00
340_G	343_E	1.657	1.00
326_E	329_E	1.650	1.00
113_K	116_Q	1.640	1.00
292_Q	303_G	1.634	1.00
104_I	114_A	1.627	1.00
135_K	165_E	1.627	1.00
335_K	339_Y	1.622	1.00
131_K	169_E	1.619	1.00
54_I	67_L	1.612	1.00
61_R	88_W	1.595	1.00
234_Q	237_A	1.580	1.00
163_K	187_S	1.576	1.00
29_K	51_D	1.573	1.00
98_G	101_L	1.565	1.00
30_Q	291_E	1.564	1.00
115_I	267_V	1.553	1.00
286_E	306_D	1.548	1.00
314_V	367_I	1.547	1.00
131_K	135_K	1.545	1.00
335_K	340_G	1.540	1.00
339_Y	342_H	1.534	1.00
170_Q	174_L	1.510	1.00
121_E	264_E	1.505	1.00
74_I	94_Y	1.504	1.00
286_E	308_L	1.502	1.00
145_A	182_L	1.500	1.00
114_A	246_E	1.498	1.00
242_K	245_D	1.494	1.00
131_K	173_A	1.491	1.00
197_V	292_Q	1.485	1.00
116_Q	124_P	1.484	1.00
12_I	95_L	1.480	1.00
338_I	341_K	1.474	1.00
28_A	35_V	1.471	1.00
118_A	246_E	1.467	1.00
112_K	183_E	1.463	1.00
63_A	66_K	1.451	1.00
27_S	291_E	1.451	1.00
232_I	259_L	1.443	1.00
90_K	99_S	1.441	1.00
136_Q	140_E	1.424	1.00
237_A	241_V	1.424	1.00
104_I	110_T	1.424	1.00
88_W	91_D	1.419	1.00
126_S	137_A	1.396	1.00
197_V	252_P	1.393	1.00
199_S	203_E	1.386	1.00
61_R	65_R	1.385	1.00
11_V	36_A	1.370	1.00
111_E	115_I	1.370	1.00
283_D	354_T	1.367	1.00
135_K	139_Q	1.363	1.00
150_C	179_T	1.362	1.00
114_A	118_A	1.361	1.00
138_V	143_L	1.359	1.00
192_L	259_L	1.356	1.00
114_A	117_S	1.352	1.00
107_N	150_C	1.352	1.00
90_K	98_G	1.348	1.00
229_E	263_G	1.335	1.00
184_S	266_L	1.325	1.00
326_E	331_L	1.324	1.00
328_P	331_L	1.320	1.00
129_K	133_E	1.318	1.00
47_G	53_E	1.314	1.00
235_K	239_L	1.313	1.00
129_K	179_T	1.296	1.00
89_L	94_Y	1.294	1.00
116_Q	122_V	1.292	1.00
326_E	330_L	1.288	1.00
62_E	88_W	1.288	1.00
136_Q	139_Q	1.282	1.00
100_E	104_I	1.278	1.00
337_Y	341_K	1.277	1.00
283_D	356_M	1.276	1.00
13_G	38_V	1.276	1.00
131_K	172_A	1.270	1.00
361_D	365_Q	1.259	1.00
12_I	28_A	1.250	1.00
132_N	135_K	1.248	1.00
197_V	296_A	1.242	1.00
194_V	236_A	1.235	1.00
26_V	30_Q	1.231	1.00
113_K	125_Y	1.223	1.00
317_L	348_R	1.221	1.00
230_K	233_Q	1.220	1.00
143_L	164_E	1.208	1.00
146_V	161_V	1.206	1.00
37_V	52_V	1.202	1.00
109_E	150_C	1.200	1.00
186_V	268_N	1.198	1.00
340_G	344_I	1.197	1.00
133_E	136_Q	1.191	1.00
132_N	136_Q	1.189	1.00
34_K	52_V	1.184	1.00
196_V	244_A	1.179	1.00
85_A	89_L	1.175	1.00
327_D	330_L	1.155	1.00
196_V	240_A	1.147	1.00
339_Y	343_E	1.141	1.00
121_E	239_L	1.134	1.00
336_L	340_G	1.131	1.00
337_Y	343_E	1.128	1.00
138_V	145_A	1.127	1.00
233_Q	237_A	1.122	1.00
31_M	295_R	1.115	1.00
128_V	137_A	1.112	1.00
228_V	232_I	1.108	1.00
24_M	75_T	1.102	1.00
335_K	343_E	1.102	1.00
105_T	270_L	1.101	1.00
112_K	122_V	1.101	1.00
357_K	366_E	1.100	1.00
355_F	367_I	1.094	1.00
160_F	174_L	1.091	1.00
353_I	370_K	1.090	1.00
33_Y	298_C	1.088	1.00
204_I	241_V	1.086	1.00
74_I	89_L	1.081	1.00
13_G	68_A	1.079	1.00
362_E	366_E	1.071	1.00
231_G	235_K	1.071	1.00
196_V	253_L	1.069	1.00
116_Q	125_Y	1.065	1.00
124_P	140_E	1.064	1.00
336_L	339_Y	1.060	1.00
87_H	100_E	1.059	1.00
259_L	265_L	1.059	1.00
206_T	237_A	1.056	1.00
368_T	372_M	1.053	1.00
190_M	211_E	1.050	1.00
357_K	363_W	1.040	1.00
364_I	368_T	1.039	1.00
127_I	179_T	1.039	1.00
329_E	332_K	1.036	1.00
301_P	304_K	1.034	1.00
146_V	185_W	1.030	1.00
124_P	141_L	1.023	1.00
98_G	250_V	1.022	1.00
334_A	338_I	1.015	1.00
243_L	246_E	1.013	1.00
196_V	255_V	1.011	1.00
52_V	69_E	1.009	1.00
160_F	175_L	1.009	1.00
68_A	94_Y	1.006	1.00
208_P	233_Q	1.004	1.00
188_F	261_E	1.004	1.00
369_N	372_M	1.000	1.00
139_Q	169_E	0.992	1.00
166_A	170_Q	0.988	1.00
87_H	99_S	0.986	1.00
170_Q	173_A	0.982	1.00
143_L	168_M	0.982	1.00
120_C	267_V	0.981	1.00
141_L	145_A	0.980	1.00
134_L	168_M	0.976	1.00
335_K	342_H	0.968	1.00
243_L	247_L	0.966	1.00
160_F	171_A	0.961	1.00
65_R	88_W	0.959	1.00
366_E	369_N	0.959	1.00
240_A	257_M	0.959	1.00
167_Q	170_Q	0.953	1.00
240_A	255_V	0.952	1.00
205_S	304_K	0.951	1.00
327_D	331_L	0.946	1.00
11_V	72_D	0.945	1.00
54_I	69_E	0.938	1.00
12_I	33_Y	0.938	1.00
198_R	245_D	0.938	1.00
39_D	44_S	0.934	1.00
100_E	103_L	0.930	1.00
212_N	218_I	0.924	1.00
194_V	237_A	0.913	1.00
255_V	270_L	0.913	1.00
282_L	354_T	0.913	1.00
328_P	332_K	0.912	1.00
287_T	292_Q	0.911	1.00
25_A	35_V	0.905	1.00
138_V	168_M	0.905	1.00
187_S	260_T	0.905	1.00
244_A	253_L	0.905	1.00
105_T	247_L	0.905	1.00
198_R	244_A	0.904	1.00
208_P	224_V	0.902	1.00
12_I	294_I	0.901	1.00
145_A	162_I	0.900	1.00
162_I	171_A	0.900	1.00
292_Q	295_R	0.899	1.00
244_A	247_L	0.898	1.00
274_P	289_Q	0.895	1.00
365_Q	369_N	0.893	1.00
147_L	162_I	0.890	1.00
334_A	340_G	0.889	1.00
334_A	343_E	0.888	1.00
203_E	245_D	0.880	1.00
28_A	294_I	0.877	1.00
310_P	358_Q	0.875	1.00
326_E	332_K	0.874	1.00
330_L	333_E	0.872	1.00
336_L	341_K	0.870	1.00
109_E	179_T	0.867	1.00
147_L	171_A	0.866	1.00
62_E	66_K	0.861	1.00
107_N	151_R	0.861	1.00
339_Y	344_I	0.860	1.00
87_H	90_K	0.860	1.00
294_I	298_C	0.858	1.00
337_Y	342_H	0.857	1.00
355_F	370_K	0.856	1.00
336_L	344_I	0.854	1.00
331_L	334_A	0.854	1.00
194_V	240_A	0.850	1.00
146_V	159_Q	0.849	1.00
334_A	339_Y	0.846	1.00
231_G	234_Q	0.840	1.00
235_K	265_L	0.838	1.00
133_E	137_A	0.836	1.00
31_M	291_E	0.834	1.00
13_G	71_S	0.831	1.00
211_E	227_R	0.827	1.00
258_F	268_N	0.827	1.00
67_L	71_S	0.826	1.00
312_M	363_W	0.825	1.00
172_A	180_C	0.825	1.00
75_T	293_H	0.819	1.00
314_V	322_K	0.816	1.00
236_A	265_L	0.815	1.00
151_R	177_H	0.814	1.00
308_L	356_M	0.811	1.00
338_I	343_E	0.807	1.00
31_M	288_S	0.805	1.00
128_V	134_L	0.798	1.00
28_A	33_Y	0.797	1.00
28_A	75_T	0.797	1.00
242_K	246_E	0.796	1.00
186_V	266_L	0.791	1.00
79_E	82_D	0.790	1.00
288_S	291_E	0.790	1.00
238_D	241_V	0.785	1.00
33_Y	294_I	0.783	1.00
189_K	261_E	0.783	1.00
147_L	180_C	0.782	1.00
175_L	180_C	0.781	1.00
25_A	50_A	0.780	1.00
89_L	92_H	0.777	1.00
37_V	50_A	0.777	1.00
334_A	341_K	0.776	1.00
134_L	172_A	0.776	1.00
334_A	342_H	0.770	1.00
166_A	169_E	0.770	1.00
313_M	321_V	0.767	1.00
314_V	352_H	0.765	1.00
317_L	321_V	0.763	1.00
202_G	245_D	0.763	1.00
121_E	266_L	0.761	1.00
194_V	209_T	0.761	1.00
116_Q	126_S	0.757	1.00
39_D	53_E	0.756	1.00
107_N	179_T	0.756	1.00
90_K	100_E	0.755	1.00
209_T	233_Q	0.755	1.00
335_K	344_I	0.750	1.00
201_N	301_P	0.748	1.00
223_I	360_E	0.748	1.00
295_R	298_C	0.746	1.00
101_L	248_N	0.745	1.00
11_V	52_V	0.745	1.00
197_V	207_F	0.745	1.00
231_G	263_G	0.744	1.00
362_E	365_Q	0.742	1.00
126_S	133_E	0.741	1.00
90_K	250_V	0.740	1.00
184_S	260_T	0.739	1.00
98_G	248_N	0.738	1.00
204_I	245_D	0.737	1.00
215_H	218_I	0.736	1.00
206_T	241_V	0.735	1.00
328_P	333_E	0.733	1.00
85_A	88_W	0.729	1.00
14_I	28_A	0.727	1.00
232_I	263_G	0.726	1.00
335_K	341_K	0.725	1.00
279_H	282_L	0.725	1.00
355_F	363_W	0.721	1.00
312_M	364_I	0.720	1.00
338_I	342_H	0.714	1.00
317_L	322_K	0.712	1.00
41_V	44_S	0.711	1.00
312_M	322_K	0.706	1.00
314_V	319_D	0.701	1.00
86_L	89_L	0.700	1.00
110_T	114_A	0.697	1.00
329_E	363_W	0.696	1.00
68_A	74_I	0.695	1.00
313_M	316_L	0.691	1.00
228_V	233_Q	0.690	1.00
319_D	322_K	0.690	1.00
312_M	321_V	0.688	1.00
186_V	260_T	0.688	1.00
313_M	322_K	0.684	1.00
315_N	318_G	0.683	1.00
22_K	48_Q	0.682	1.00
12_I	35_V	0.681	1.00
214_H	219_L	0.677	1.00
44_S	47_G	0.675	1.00
138_V	142_R	0.674	1.00
61_R	85_A	0.673	1.00
56_A	63_A	0.672	1.00
34_K	51_D	0.671	1.00
50_A	53_E	0.671	1.00
243_L	270_L	0.670	1.00
367_I	371_W	0.665	1.00
361_D	364_I	0.663	1.00
86_L	90_K	0.662	1.00
162_I	168_M	0.661	1.00
38_V	56_A	0.660	1.00
314_V	321_V	0.659	1.00
147_L	172_A	0.654	1.00
107_N	110_T	0.654	1.00
15_I	85_A	0.654	1.00
310_P	356_M	0.654	1.00
260_T	266_L	0.654	1.00
171_A	175_L	0.653	1.00
11_V	37_V	0.652	1.00
109_E	181_I	0.651	1.00
138_V	165_E	0.651	1.00
236_A	242_K	0.651	1.00
337_Y	344_I	0.651	1.00
333_E	366_E	0.650	1.00
300_L	304_K	0.650	1.00
141_L	184_S	0.648	1.00
150_C	181_I	0.648	1.00
323_L	327_D	0.648	1.00
192_L	236_A	0.648	1.00
190_M	259_L	0.647	1.00
316_L	319_D	0.645	1.00
210_A	222_S	0.645	1.00
209_T	226_A	0.644	1.00
198_R	250_V	0.643	1.00
216_N	219_L	0.641	1.00
329_E	333_E	0.641	1.00
135_K	173_A	0.640	1.00
314_V	317_L	0.639	1.00
250_V	296_A	0.638	1.00
135_K	138_V	0.637	1.00
184_S	264_E	0.637	1.00
195_I	252_P	0.636	1.00
29_K	35_V	0.634	1.00
204_I	244_A	0.632	1.00
249_L	253_L	0.629	1.00
203_E	303_G	0.628	1.00
292_Q	304_K	0.628	1.00
280_Y	283_D	0.627	1.00
239_L	257_M	0.626	1.00
261_E	264_E	0.626	1.00
323_L	331_L	0.624	1.00
259_L	263_G	0.623	1.00
236_A	239_L	0.623	1.00
240_A	244_A	0.620	1.00
192_L	226_A	0.620	1.00
36_A	54_I	0.619	1.00
37_V	48_Q	0.615	1.00
327_D	332_K	0.614	1.00
293_H	297_V	0.612	1.00
213_I	221_Q	0.609	1.00
195_I	254_A	0.609	1.00
134_L	182_L	0.607	1.00
237_A	242_K	0.607	1.00
317_L	371_W	0.605	1.00
131_K	168_M	0.605	1.00
171_A	174_L	0.604	1.00
214_H	218_I	0.601	1.00
212_N	215_H	0.601	1.00
142_R	165_E	0.601	1.00
34_K	294_I	0.601	1.00
221_Q	314_V	0.601	1.00
294_I	297_V	0.597	1.00
336_L	343_E	0.595	1.00
224_V	280_Y	0.594	1.00
196_V	206_T	0.592	1.00
11_V	70_I	0.591	1.00
239_L	243_L	0.589	1.00
101_L	250_V	0.588	1.00
131_K	134_L	0.586	1.00
295_R	303_G	0.585	1.00
147_L	182_L	0.585	1.00
192_L	209_T	0.583	1.00
35_V	290_F	0.583	1.00
260_T	263_G	0.583	1.00
27_S	31_M	0.581	1.00
338_I	344_I	0.581	1.00
125_Y	183_E	0.580	1.00
39_D	67_L	0.580	1.00
113_K	127_I	0.578	1.00
269_E	273_R	0.578	1.00
201_N	299_G	0.578	1.00
68_A	71_S	0.578	1.00
40_P	51_D	0.578	1.00
194_V	206_T	0.577	1.00
255_V	267_V	0.577	1.00
100_E	110_T	0.576	1.00
334_A	344_I	0.575	1.00
279_H	313_M	0.574	1.00
65_R	91_D	0.573	1.00
323_L	326_E	0.573	1.00
252_P	274_P	0.573	1.00
235_K	242_K	0.572	1.00
162_I	167_Q	0.571	1.00
205_S	305_T	0.571	1.00
336_L	342_H	0.571	1.00
208_P	284_L	0.569	1.00
163_K	185_W	0.567	1.00
199_S	302_L	0.567	1.00
318_G	321_V	0.566	1.00
220_F	317_L	0.565	1.00
123_A	186_V	0.565	1.00
211_E	226_A	0.565	1.00
309_K	358_Q	0.565	1.00
363_W	367_I	0.564	1.00
34_K	291_E	0.563	1.00
31_M	294_I	0.562	1.00
100_E	248_N	0.561	1.00
130_T	172_A	0.560	1.00
147_L	168_M	0.557	1.00
207_F	285_C	0.557	1.00
36_A	52_V	0.556	1.00
99_S	103_L	0.556	1.00
360_E	364_I	0.555	1.00
195_I	210_A	0.555	1.00
203_E	301_P	0.555	1.00
316_L	321_V	0.553	1.00
66_K	92_H	0.553	1.00
192_L	257_M	0.551	1.00
210_A	226_A	0.551	1.00
313_M	318_G	0.551	1.00
56_A	67_L	0.550	1.00
215_H	220_F	0.550	1.00
252_P	273_R	0.550	1.00
201_N	250_V	0.549	1.00
64_I	89_L	0.547	1.00
313_M	317_L	0.546	1.00
114_A	247_L	0.546	1.00
211_E	223_I	0.546	1.00
229_E	259_L	0.546	1.00
29_K	50_A	0.546	1.00
102_L	272_P	0.545	1.00
62_E	65_R	0.543	1.00
289_Q	293_H	0.543	1.00
137_A	182_L	0.543	1.00
63_A	67_L	0.543	1.00
121_E	235_K	0.542	1.00
27_S	288_S	0.540	1.00
318_G	322_K	0.539	1.00
104_I	117_S	0.539	1.00
38_V	64_I	0.537	1.00
355_F	366_E	0.534	1.00
143_L	163_K	0.530	1.00
309_K	356_M	0.528	1.00
232_I	265_L	0.528	1.00
115_I	270_L	0.526	1.00
119_G	242_K	0.523	1.00
192_L	228_V	0.523	1.00
186_V	189_K	0.523	1.00
199_S	299_G	0.523	1.00
86_L	99_S	0.523	1.00
329_E	334_A	0.522	1.00
80_N	83_Y	0.521	1.00
138_V	172_A	0.519	1.00
199_S	202_G	0.518	1.00
193_S	210_A	0.517	1.00
312_M	317_L	0.515	1.00
68_A	89_L	0.515	1.00
160_F	170_Q	0.513	1.00
194_V	257_M	0.511	1.00
185_W	258_F	0.511	1.00
243_L	267_V	0.510	1.00
196_V	204_I	0.509	0.99
167_Q	171_A	0.508	0.99
307_L	310_P	0.506	0.99
249_L	272_P	0.505	0.99
134_L	137_A	0.502	0.99
112_K	116_Q	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
3orqA	2	0.9763	100	0.277	Contact Map
3aw8A	2	0.9447	100	0.279	Contact Map
4mamA	2	0.9474	100	0.28	Contact Map
3q2oA	2	0.9842	100	0.285	Contact Map
2dwcA	4	0.9763	100	0.286	Contact Map
4e4tA	2	0.9789	100	0.289	Contact Map
3ax6A	2	0.9211	100	0.292	Contact Map
1kjqA	2	0.9763	100	0.295	Contact Map
3u9tA	3	0.9632	100	0.305	Contact Map
3n6rA	1	0.8158	100	0.308	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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