PURK - SULSO - GREMLIN Contacts

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PURK - N5-carboxyaminoimidazole ribonucleotide synthase

UniProt:	O06457	Sequences: MFSVLDWKPKIGILGGGQLGWMIVLEGRKYPFTFYVLENDKNAPACRIADRCFSPQDYKEFVDSSDVITFEFEHVYEKALEYAEYSGKLLPRLNSVELKRERYKEKLFYRQHNLPTPRFYVAEDGEEALKILREEFNNVGVIKESKGGYDGKGQYFIFNDVEKYQFLREKKEKMVVEEYVKFDFEASIIIARDKRGVFISYPPTYNYNEKGILVYNYGPYNNQNIVEIARRLSEELDYVGIMGVEVFVVNGKVLINEFAPRVHNTGHYTLDGALISQFEQHLRAIIGMELGPSTILSPSGMVNILGTDKIPVEVLKYGKVYWYSKSEVRKRRKMGHVNVVGNNLEEVKQKIDKIMQLIYTNGLDL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	365 (345)
Sequences:	23643 (13043)
Seq/√Len:	702.2

ECOLI - PURT ACCC PURK PUR2 CARB DDLB RIMK DDLA
BACSU - PURK PURT ACCC2 ACCC1 BACD PUR2 CARY CARB PYC DDL
HALSA - Q9HRM3 Q9HQ67 Q9HPP8 CARB Q9HSS5
SULSO - PURK PURT 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
134_E	160_D	3.468	1.00
118_R	178_E	3.262	1.00
10_K	33_T	3.209	1.00
159_N	162_E	3.144	1.00
130_K	164_Y	3.012	1.00
227_E	231_R	2.985	1.00
249_V	252_K	2.875	1.00
341_G	346_E	2.758	1.00
81_E	97_E	2.630	1.00
138_N	160_D	2.585	1.00
230_R	234_E	2.568	1.00
124_D	127_E	2.544	1.00
120_Y	135_E	2.453	1.00
54_S	57_D	2.452	1.00
343_N	346_E	2.417	1.00
81_E	85_Y	2.327	1.00
109_Y	232_L	2.228	1.00
283_R	288_M	2.223	1.00
26_E	29_K	2.218	1.00
223_Q	227_E	2.124	1.00
158_F	162_E	2.082	1.00
82_Y	86_S	2.071	1.00
111_Q	235_E	2.035	1.00
156_F	179_Y	1.946	1.00
160_D	164_Y	1.942	1.00
76_Y	100_R	1.922	1.00
279_E	283_R	1.916	1.00
59_K	86_S	1.903	1.00
104_K	107_L	1.860	1.00
218_G	272_G	1.856	1.00
325_K	328_V	1.852	1.00
13_I	24_V	1.850	1.00
132_L	136_F	1.847	1.00
224_N	252_K	1.846	1.00
132_L	135_E	1.807	1.00
342_N	346_E	1.791	1.00
192_R	198_F	1.788	1.00
107_L	111_Q	1.778	1.00
164_Y	168_R	1.770	1.00
228_I	253_V	1.763	1.00
103_Y	107_L	1.745	1.00
194_K	239_V	1.742	1.00
97_E	104_K	1.731	1.00
55_P	82_Y	1.723	1.00
323_Y	326_S	1.719	1.00
107_L	110_R	1.699	1.00
280_Q	291_G	1.697	1.00
103_Y	121_V	1.689	1.00
130_K	160_D	1.662	1.00
274_L	296_L	1.627	1.00
98_L	108_F	1.625	1.00
321_Y	324_S	1.621	1.00
92_R	95_S	1.606	1.00
125_G	130_K	1.602	1.00
224_N	227_E	1.595	1.00
57_D	60_E	1.576	1.00
158_F	181_K	1.568	1.00
27_G	34_F	1.568	1.00
29_K	279_E	1.558	1.00
140_G	176_V	1.555	1.00
106_K	177_E	1.534	1.00
191_A	280_Q	1.524	1.00
302_V	351_I	1.519	1.00
133_R	138_N	1.511	1.00
110_R	118_R	1.508	1.00
109_Y	255_I	1.506	1.00
125_G	164_Y	1.501	1.00
231_R	234_E	1.496	1.00
186_A	248_V	1.492	1.00
98_L	104_K	1.484	1.00
131_I	135_E	1.482	1.00
145_S	173_K	1.480	1.00
26_E	279_E	1.480	1.00
193_D	197_V	1.475	1.00
226_V	230_R	1.473	1.00
82_Y	85_Y	1.462	1.00
55_P	59_K	1.459	1.00
11_I	89_L	1.443	1.00
125_G	168_R	1.443	1.00
322_W	325_K	1.432	1.00
120_Y	132_L	1.431	1.00
84_E	93_L	1.424	1.00
101_E	145_S	1.424	1.00
165_Q	169_E	1.420	1.00
222_N	226_V	1.419	1.00
115_P	252_K	1.419	1.00
130_K	134_E	1.414	1.00
108_F	111_Q	1.412	1.00
271_D	338_N	1.411	1.00
191_A	241_I	1.408	1.00
228_I	231_R	1.407	1.00
319_K	322_W	1.402	1.00
108_F	112_H	1.398	1.00
319_K	324_S	1.398	1.00
232_L	235_E	1.391	1.00
105_E	109_Y	1.377	1.00
108_F	235_E	1.348	1.00
178_E	254_L	1.341	1.00
271_D	340_V	1.337	1.00
28_R	50_D	1.334	1.00
112_H	235_E	1.322	1.00
110_R	116_T	1.321	1.00
56_Q	82_Y	1.313	1.00
123_E	127_E	1.311	1.00
191_A	284_A	1.308	1.00
11_I	27_G	1.307	1.00
25_L	29_K	1.306	1.00
312_V	316_K	1.304	1.00
125_G	167_L	1.304	1.00
141_V	156_F	1.303	1.00
94_N	98_L	1.300	1.00
11_I	32_F	1.288	1.00
123_E	173_K	1.286	1.00
345_E	349_Q	1.282	1.00
292_P	295_I	1.282	1.00
107_L	119_F	1.271	1.00
84_E	92_R	1.265	1.00
53_F	61_F	1.263	1.00
231_R	235_E	1.259	1.00
30_Y	283_R	1.254	1.00
198_F	230_R	1.237	1.00
103_Y	145_S	1.234	1.00
133_R	140_G	1.231	1.00
190_I	233_S	1.230	1.00
319_K	323_Y	1.228	1.00
138_N	159_N	1.222	1.00
131_I	134_E	1.219	1.00
79_A	83_A	1.209	1.00
10_K	35_Y	1.208	1.00
180_V	256_N	1.204	1.00
224_N	228_I	1.202	1.00
12_G	37_L	1.187	1.00
155_Y	169_E	1.166	1.00
337_V	354_I	1.165	1.00
320_V	325_K	1.163	1.00
99_K	258_F	1.160	1.00
68_I	83_A	1.158	1.00
352_D	356_Q	1.157	1.00
50_D	53_F	1.155	1.00
121_V	173_K	1.154	1.00
188_I	225_I	1.154	1.00
126_E	130_K	1.153	1.00
274_L	294_T	1.152	1.00
323_Y	327_E	1.152	1.00
346_E	350_K	1.148	1.00
33_T	51_R	1.147	1.00
324_S	327_E	1.145	1.00
341_G	350_K	1.141	1.00
339_V	351_I	1.137	1.00
12_G	62_V	1.134	1.00
305_L	332_R	1.129	1.00
223_Q	226_V	1.126	1.00
118_R	135_E	1.124	1.00
83_A	88_K	1.119	1.00
106_K	116_T	1.118	1.00
190_I	242_M	1.109	1.00
190_I	229_A	1.108	1.00
92_R	239_V	1.105	1.00
302_V	336_H	1.102	1.00
23_I	69_T	1.101	1.00
248_V	253_V	1.098	1.00
138_N	163_K	1.092	1.00
341_G	347_V	1.092	1.00
184_F	205_Y	1.091	1.00
110_R	119_F	1.091	1.00
319_K	326_S	1.089	1.00
141_V	179_Y	1.088	1.00
313_E	316_K	1.088	1.00
118_R	136_F	1.086	1.00
83_A	86_S	1.084	1.00
318_G	321_Y	1.084	1.00
38_E	43_A	1.081	1.00
155_Y	166_F	1.075	1.00
31_P	279_E	1.069	1.00
126_E	131_I	1.068	1.00
228_I	232_L	1.065	1.00
81_E	94_N	1.063	1.00
321_Y	325_K	1.061	1.00
10_K	66_D	1.058	1.00
181_K	250_N	1.056	1.00
348_K	352_D	1.053	1.00
190_I	244_V	1.052	1.00
308_D	311_P	1.052	1.00
323_Y	328_V	1.046	1.00
60_E	63_D	1.044	1.00
129_L	163_K	1.041	1.00
224_N	231_R	1.039	1.00
195_R	289_E	1.032	1.00
320_V	324_S	1.031	1.00
161_V	165_Q	1.028	1.00
136_F	140_G	1.026	1.00
115_P	228_I	1.025	1.00
32_F	286_I	1.025	1.00
114_L	255_I	1.021	1.00
127_E	131_I	1.016	1.00
320_V	323_Y	1.010	1.00
94_N	97_E	1.006	1.00
192_R	234_E	1.002	1.00
122_A	132_L	0.992	1.00
350_K	353_K	0.990	1.00
232_L	236_L	0.990	1.00
81_E	93_L	0.987	1.00
134_E	164_Y	0.986	1.00
122_A	129_L	0.983	1.00
199_I	292_P	0.981	1.00
233_S	236_L	0.979	1.00
209_E	212_I	0.974	1.00
59_K	82_Y	0.972	1.00
324_S	328_V	0.968	1.00
270_L	338_N	0.967	1.00
206_N	212_I	0.965	1.00
188_I	226_V	0.964	1.00
103_Y	173_K	0.963	1.00
353_K	356_Q	0.957	1.00
318_G	326_S	0.955	1.00
31_P	282_L	0.949	1.00
229_A	244_V	0.946	1.00
312_V	315_L	0.945	1.00
27_G	282_L	0.944	1.00
275_I	280_Q	0.939	1.00
202_P	218_G	0.936	1.00
165_Q	168_R	0.934	1.00
296_L	340_V	0.932	1.00
282_L	286_I	0.931	1.00
157_I	166_F	0.930	1.00
30_Y	279_E	0.929	1.00
262_V	277_Q	0.928	1.00
81_E	84_E	0.927	1.00
61_F	65_S	0.924	1.00
322_W	327_E	0.924	1.00
319_K	327_E	0.922	1.00
99_K	236_L	0.920	1.00
56_Q	60_E	0.909	1.00
280_Q	283_R	0.908	1.00
141_V	154_Q	0.908	1.00
101_E	146_K	0.902	1.00
140_G	157_I	0.900	1.00
225_I	228_I	0.894	1.00
320_V	328_V	0.894	1.00
244_V	258_F	0.889	1.00
80_L	88_K	0.888	1.00
298_P	342_N	0.887	1.00
11_I	282_L	0.885	1.00
231_R	236_L	0.882	1.00
181_K	249_V	0.882	1.00
247_F	256_N	0.881	1.00
229_A	246_V	0.878	1.00
349_Q	353_K	0.876	1.00
339_V	354_I	0.876	1.00
36_V	49_A	0.872	1.00
162_E	165_Q	0.865	1.00
198_F	234_E	0.864	1.00
228_I	246_V	0.864	1.00
188_I	229_A	0.861	1.00
129_L	167_L	0.860	1.00
233_S	242_M	0.860	1.00
142_I	166_F	0.859	1.00
167_L	174_M	0.857	1.00
44_P	48_I	0.857	1.00
288_M	291_G	0.856	1.00
69_T	281_H	0.856	1.00
205_Y	221_N	0.854	1.00
12_G	65_S	0.852	1.00
142_I	174_M	0.851	1.00
208_N	213_L	0.850	1.00
322_W	326_S	0.845	1.00
30_Y	276_S	0.843	1.00
142_I	157_I	0.843	1.00
10_K	51_R	0.842	1.00
40_D	43_A	0.838	1.00
133_R	163_K	0.835	1.00
318_G	322_W	0.834	1.00
27_G	69_T	0.828	1.00
197_V	234_E	0.827	1.00
318_G	323_Y	0.822	1.00
208_N	212_I	0.820	1.00
339_V	347_V	0.818	1.00
49_A	52_C	0.816	1.00
321_Y	326_S	0.814	1.00
200_S	226_V	0.813	1.00
92_R	237_D	0.807	1.00
55_P	79_A	0.805	1.00
227_E	230_R	0.805	1.00
321_Y	327_E	0.805	1.00
321_Y	328_V	0.804	1.00
206_N	209_E	0.803	1.00
180_V	254_L	0.802	1.00
110_R	120_Y	0.801	1.00
24_V	34_F	0.799	1.00
95_S	237_D	0.795	1.00
226_V	229_A	0.794	1.00
180_V	249_V	0.794	1.00
73_E	76_Y	0.789	1.00
318_G	325_K	0.789	1.00
315_L	318_G	0.787	1.00
305_L	355_M	0.786	1.00
229_A	233_S	0.786	1.00
267_H	270_L	0.785	1.00
104_K	108_F	0.779	1.00
161_V	164_Y	0.774	1.00
133_R	137_N	0.773	1.00
191_A	201_Y	0.771	1.00
43_A	46_C	0.770	1.00
303_N	306_G	0.769	1.00
192_R	233_S	0.761	1.00
14_L	79_A	0.760	1.00
178_E	249_V	0.760	1.00
62_V	68_I	0.760	1.00
146_K	171_K	0.759	1.00
225_I	253_V	0.759	1.00
184_F	248_V	0.758	1.00
80_L	84_E	0.755	1.00
115_P	254_L	0.755	1.00
101_E	173_K	0.753	1.00
13_I	27_G	0.752	1.00
28_R	34_F	0.752	1.00
239_V	284_A	0.750	1.00
195_R	287_G	0.745	1.00
312_V	317_Y	0.745	1.00
10_K	34_F	0.738	1.00
57_D	61_F	0.738	1.00
346_E	349_Q	0.737	1.00
202_P	222_N	0.735	1.00
249_V	254_L	0.734	1.00
145_S	175_V	0.734	1.00
217_Y	344_L	0.730	1.00
229_A	232_L	0.727	1.00
196_G	234_E	0.725	1.00
283_R	291_G	0.721	1.00
215_Y	218_G	0.712	1.00
313_E	347_V	0.710	1.00
318_G	324_S	0.709	1.00
84_E	94_N	0.706	1.00
188_I	203_P	0.706	1.00
298_P	340_V	0.705	1.00
21_W	47_R	0.699	1.00
300_G	347_V	0.698	1.00
101_E	104_K	0.697	1.00
53_F	63_D	0.696	1.00
83_A	87_G	0.695	1.00
301_M	306_G	0.691	1.00
36_V	47_R	0.691	1.00
136_F	178_E	0.688	1.00
313_E	317_Y	0.686	1.00
142_I	167_L	0.685	1.00
26_E	30_Y	0.685	1.00
345_E	348_K	0.685	1.00
320_V	327_E	0.683	1.00
59_K	62_V	0.683	1.00
322_W	328_V	0.681	1.00
32_F	282_L	0.681	1.00
307_T	310_I	0.679	1.00
320_V	326_S	0.677	1.00
133_R	160_D	0.675	1.00
189_I	241_I	0.675	1.00
84_E	239_V	0.675	1.00
75_V	78_K	0.672	1.00
103_Y	175_V	0.671	1.00
157_I	163_K	0.669	1.00
38_E	52_C	0.667	1.00
62_V	83_A	0.665	1.00
192_R	239_V	0.662	1.00
129_L	176_V	0.661	1.00
226_V	232_L	0.660	1.00
289_E	292_P	0.659	1.00
27_G	32_F	0.659	1.00
79_A	82_Y	0.658	1.00
251_G	254_L	0.653	1.00
34_F	50_D	0.653	1.00
238_Y	242_M	0.652	1.00
306_G	310_I	0.651	1.00
35_Y	65_S	0.651	1.00
84_E	88_K	0.649	1.00
124_D	167_L	0.649	1.00
49_A	53_F	0.648	1.00
351_I	355_M	0.645	1.00
178_E	252_K	0.643	1.00
142_I	176_V	0.642	1.00
205_Y	217_Y	0.642	1.00
307_T	311_P	0.642	1.00
319_K	328_V	0.641	1.00
276_S	279_E	0.641	1.00
129_L	132_L	0.640	1.00
55_P	62_V	0.640	1.00
314_V	317_Y	0.639	1.00
241_I	262_V	0.636	1.00
214_V	217_Y	0.630	1.00
36_V	61_F	0.628	1.00
257_E	261_R	0.628	1.00
281_H	285_I	0.627	1.00
125_G	163_K	0.626	1.00
130_K	168_R	0.625	1.00
189_I	243_G	0.624	1.00
120_Y	127_E	0.624	1.00
204_T	216_N	0.623	1.00
306_G	311_P	0.622	1.00
74_H	77_E	0.620	1.00
122_A	125_G	0.619	1.00
347_V	351_I	0.618	1.00
157_I	162_E	0.617	1.00
207_Y	215_Y	0.616	1.00
10_K	64_S	0.611	1.00
203_P	220_Y	0.611	1.00
268_Y	271_D	0.610	1.00
51_R	63_D	0.609	1.00
283_R	286_I	0.607	1.00
207_Y	212_I	0.606	1.00
82_Y	87_G	0.605	1.00
24_V	49_A	0.604	1.00
107_L	121_V	0.604	1.00
115_P	224_N	0.601	1.00
58_Y	83_A	0.601	1.00
158_F	179_Y	0.601	1.00
319_K	325_K	0.599	1.00
80_L	83_A	0.596	1.00
196_G	200_S	0.595	1.00
190_I	200_S	0.595	1.00
282_L	285_I	0.595	1.00
38_E	41_K	0.595	1.00
117_P	180_V	0.593	1.00
35_Y	39_N	0.593	1.00
119_F	177_E	0.593	1.00
197_V	289_E	0.590	1.00
109_Y	258_F	0.588	1.00
186_A	225_I	0.587	1.00
39_N	43_A	0.586	1.00
98_L	111_Q	0.586	1.00
93_L	97_E	0.586	1.00
339_V	350_K	0.584	1.00
318_G	327_E	0.582	1.00
306_G	309_K	0.581	1.00
130_K	133_R	0.580	1.00
300_G	348_K	0.580	1.00
303_N	311_P	0.580	1.00
58_Y	61_F	0.579	1.00
26_E	276_S	0.577	1.00
105_E	255_I	0.576	1.00
142_I	163_K	0.575	1.00
224_N	253_V	0.574	1.00
180_V	183_D	0.574	1.00
344_L	348_K	0.573	1.00
214_V	305_L	0.571	1.00
132_L	176_V	0.571	1.00
218_G	268_Y	0.569	1.00
34_F	38_E	0.568	1.00
138_N	158_F	0.568	1.00
96_V	260_P	0.568	1.00
67_V	285_I	0.567	1.00
317_Y	350_K	0.565	1.00
244_V	255_I	0.564	1.00
125_G	129_L	0.564	1.00
38_E	48_I	0.564	1.00
183_D	250_N	0.563	1.00
274_L	297_S	0.563	1.00
188_I	200_S	0.562	1.00
318_G	335_G	0.561	1.00
318_G	328_V	0.560	1.00
198_F	233_S	0.560	1.00
189_I	204_T	0.560	1.00
186_A	246_V	0.559	1.00
56_Q	59_K	0.559	1.00
186_A	220_Y	0.559	1.00
94_N	237_D	0.554	1.00
162_E	166_F	0.552	1.00
137_N	160_D	0.552	1.00
95_S	239_V	0.551	1.00
81_E	86_S	0.546	1.00
301_M	348_K	0.546	1.00
45_A	48_I	0.545	1.00
108_F	232_L	0.545	1.00
30_Y	282_L	0.544	1.00
304_I	307_T	0.543	1.00
200_S	230_R	0.541	1.00
33_T	50_D	0.541	1.00
62_V	65_S	0.541	1.00
226_V	231_R	0.540	1.00
166_F	169_E	0.540	1.00
304_I	311_P	0.539	1.00
19_L	262_V	0.539	1.00
248_V	251_G	0.538	1.00
113_N	231_R	0.537	1.00
228_I	236_L	0.533	1.00
108_F	236_L	0.532	1.00
102_R	143_K	0.532	1.00
11_I	67_V	0.532	1.00
67_V	70_F	0.529	1.00
302_V	305_L	0.527	1.00
68_I	88_K	0.526	1.00
80_L	93_L	0.526	1.00
114_L	228_I	0.525	1.00
95_S	98_L	0.525	1.00
58_Y	68_I	0.525	1.00
184_F	220_Y	0.524	1.00
197_V	200_S	0.524	1.00
94_N	104_K	0.524	1.00
139_V	179_Y	0.523	1.00
277_Q	281_H	0.522	1.00
204_T	218_G	0.517	1.00
121_V	145_S	0.516	1.00
106_K	117_P	0.515	1.00
188_I	246_V	0.515	1.00
133_R	136_F	0.515	1.00
11_I	278_F	0.514	1.00
290_L	293_S	0.512	0.99
196_G	201_Y	0.511	0.99
272_G	299_S	0.509	0.99
179_Y	247_F	0.509	0.99
232_L	258_F	0.509	0.99
186_A	203_P	0.509	0.99
209_E	214_V	0.508	0.99
37_L	44_P	0.508	0.99
301_M	304_I	0.508	0.99
55_P	58_Y	0.508	0.99
206_N	211_G	0.503	0.99
267_H	301_M	0.502	0.99
206_N	213_L	0.502	0.99
193_D	287_G	0.501	0.99
204_T	220_Y	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
4mamA	2	0.9589	100	0.275	Contact Map
3aw8A	2	0.9425	100	0.281	Contact Map
2dwcA	4	0.9781	100	0.287	Contact Map
3ax6A	2	0.9205	100	0.291	Contact Map
3orqA	2	0.9753	100	0.291	Contact Map
1kjqA	2	0.9753	100	0.292	Contact Map
3q2oA	2	0.9808	100	0.293	Contact Map
4e4tA	2	0.9836	100	0.297	Contact Map
1a9xA	3	0.989	100	0.298	Contact Map
3u9tA	3	0.9644	100	0.302	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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