YJIB - BACSU - GREMLIN Contacts

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YJIB - Putative cytochrome P450 YjiB

UniProt:	O34374	Sequences: MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEENQVWSVFLYDDVKKVVGDKELFSSCMPQQTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMECVSITPIENSVIYGLKSFRVKM	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	396 (356)
Sequences:	44296 (32832)
Seq/√Len:	1740.1

BACSU - YJIB CYPX CPXY PKSS BIOI CYPC CYPE CYPD
HALSA - Q9HS37

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
326_R	329_M	3.736	1.00
326_R	331_D	3.345	1.00
274_Q	336_P	3.326	1.00
264_E	333_R	3.192	1.00
117_D	365_S	3.065	1.00
298_E	303_L	3.048	1.00
251_A	279_A	3.034	1.00
251_A	363_L	2.916	1.00
305_K	308_D	2.913	1.00
247_L	359_A	2.807	1.00
273_P	360_N	2.740	1.00
203_R	226_G	2.663	1.00
296_D	306_E	2.632	1.00
254_S	283_R	2.614	1.00
52_L	55_D	2.561	1.00
296_D	303_L	2.544	1.00
262_Y	266_R	2.509	1.00
263_E	267_S	2.499	1.00
319_R	328_H	2.344	1.00
261_V	271_L	2.344	1.00
265_L	275_A	2.332	1.00
65_L	295_R	2.323	1.00
202_K	209_D	2.175	1.00
293_A	304_I	2.174	1.00
196_A	230_I	2.144	1.00
48_W	308_D	2.139	1.00
200_E	226_G	2.124	1.00
113_Q	365_S	2.109	1.00
111_R	146_E	2.108	1.00
66_F	297_T	2.105	1.00
55_D	300_G	2.087	1.00
264_E	271_L	2.067	1.00
258_T	261_V	2.054	1.00
201_E	205_K	2.018	1.00
196_A	226_G	2.004	1.00
348_F	352_A	1.987	1.00
139_L	362_A	1.987	1.00
254_S	282_F	1.983	1.00
31_E	34_R	1.941	1.00
298_E	301_G	1.908	1.00
196_A	200_E	1.903	1.00
253_Y	257_E	1.860	1.00
266_R	270_E	1.789	1.00
276_V	359_A	1.784	1.00
277_E	356_R	1.767	1.00
56_V	317_A	1.755	1.00
266_R	371_P	1.741	1.00
92_I	232_F	1.729	1.00
261_V	264_E	1.725	1.00
57_K	61_G	1.717	1.00
39_V	50_V	1.713	1.00
29_W	32_S	1.712	1.00
248_I	362_A	1.709	1.00
50_V	59_V	1.702	1.00
186_K	190_E	1.702	1.00
279_A	330_F	1.692	1.00
115_I	118_E	1.688	1.00
262_Y	371_P	1.659	1.00
263_E	371_P	1.645	1.00
115_I	146_E	1.628	1.00
161_W	190_E	1.593	1.00
64_E	295_R	1.587	1.00
38_P	52_L	1.582	1.00
296_D	305_K	1.555	1.00
197_G	201_E	1.552	1.00
200_E	204_N	1.549	1.00
225_S	228_E	1.545	1.00
160_A	164_L	1.539	1.00
315_A	319_R	1.537	1.00
262_Y	367_I	1.518	1.00
111_R	114_E	1.517	1.00
254_S	258_T	1.514	1.00
251_A	275_A	1.512	1.00
251_A	255_I	1.503	1.00
157_Q	161_W	1.502	1.00
280_L	341_A	1.491	1.00
269_P	368_S	1.487	1.00
126_R	134_D	1.483	1.00
132_V	249_S	1.479	1.00
114_E	146_E	1.479	1.00
263_E	266_R	1.473	1.00
124_Q	370_F	1.464	1.00
29_W	33_M	1.460	1.00
269_P	364_T	1.447	1.00
365_S	368_S	1.441	1.00
366_L	372_H	1.434	1.00
265_L	367_I	1.433	1.00
209_D	212_S	1.408	1.00
212_S	216_E	1.398	1.00
50_V	55_D	1.393	1.00
54_D	300_G	1.382	1.00
113_Q	117_D	1.381	1.00
321_E	328_H	1.378	1.00
104_V	107_Q	1.360	1.00
274_Q	333_R	1.349	1.00
282_F	319_R	1.344	1.00
265_L	272_M	1.324	1.00
109_E	360_N	1.316	1.00
62_D	65_L	1.299	1.00
247_L	285_P	1.288	1.00
56_V	312_A	1.286	1.00
200_E	203_R	1.286	1.00
321_E	327_P	1.282	1.00
58_K	62_D	1.279	1.00
252_M	366_L	1.277	1.00
318_N	341_A	1.275	1.00
189_E	193_A	1.268	1.00
271_L	333_R	1.265	1.00
31_E	328_H	1.264	1.00
323_K	338_P	1.262	1.00
121_Q	369_A	1.262	1.00
273_P	277_E	1.261	1.00
87_P	90_T	1.253	1.00
261_V	275_A	1.252	1.00
164_L	183_E	1.246	1.00
130_D	133_H	1.246	1.00
193_A	197_G	1.245	1.00
115_I	142_I	1.244	1.00
272_M	367_I	1.236	1.00
295_R	306_E	1.235	1.00
32_S	36_D	1.215	1.00
198_I	201_E	1.214	1.00
86_P	90_T	1.209	1.00
122_K	134_D	1.200	1.00
256_L	262_Y	1.199	1.00
268_H	271_L	1.198	1.00
70_M	73_Q	1.195	1.00
275_A	279_A	1.195	1.00
87_P	91_K	1.185	1.00
144_I	240_G	1.181	1.00
84_M	88_K	1.181	1.00
38_P	322_A	1.176	1.00
272_M	364_T	1.176	1.00
164_L	187_C	1.167	1.00
352_A	356_R	1.166	1.00
41_F	46_Q	1.165	1.00
264_E	267_S	1.160	1.00
266_R	367_I	1.156	1.00
117_D	121_Q	1.153	1.00
325_D	331_D	1.147	1.00
32_S	35_K	1.145	1.00
292_I	307_G	1.140	1.00
113_Q	361_I	1.131	1.00
277_E	339_H	1.127	1.00
157_Q	190_E	1.124	1.00
52_L	322_A	1.122	1.00
275_A	330_F	1.119	1.00
124_Q	369_A	1.119	1.00
120_I	365_S	1.119	1.00
201_E	204_N	1.118	1.00
51_F	313_F	1.115	1.00
106_K	109_E	1.110	1.00
116_T	139_L	1.108	1.00
254_S	279_A	1.100	1.00
116_T	120_I	1.099	1.00
261_V	332_I	1.094	1.00
261_V	333_R	1.092	1.00
227_E	231_P	1.092	1.00
192_A	230_I	1.091	1.00
192_A	196_A	1.086	1.00
182_E	186_K	1.086	1.00
67_S	294_K	1.085	1.00
146_E	151_P	1.082	1.00
116_T	365_S	1.082	1.00
79_N	88_K	1.079	1.00
120_I	370_F	1.076	1.00
37_A	40_S	1.076	1.00
48_W	304_I	1.075	1.00
109_E	361_I	1.071	1.00
183_E	187_C	1.059	1.00
318_N	339_H	1.051	1.00
114_E	118_E	1.047	1.00
91_K	228_E	1.042	1.00
293_A	308_D	1.041	1.00
66_F	69_C	1.039	1.00
111_R	115_I	1.034	1.00
157_Q	160_A	1.033	1.00
118_E	142_I	1.030	1.00
179_A	183_E	1.029	1.00
55_D	58_K	1.028	1.00
190_E	193_A	1.024	1.00
112_I	357_L	1.023	1.00
226_G	230_I	1.022	1.00
188_E	192_A	1.019	1.00
40_S	49_S	1.018	1.00
116_T	361_I	1.016	1.00
109_E	113_Q	1.014	1.00
119_L	139_L	1.011	1.00
269_P	272_M	1.011	1.00
278_E	281_R	1.004	1.00
271_L	274_Q	1.003	1.00
34_R	321_E	1.002	1.00
113_Q	364_T	1.001	1.00
118_E	122_K	1.000	1.00
112_I	143_V	0.996	1.00
47_V	311_L	0.994	1.00
258_T	329_M	0.992	1.00
264_E	268_H	0.990	1.00
270_E	368_S	0.986	1.00
255_I	265_L	0.984	1.00
213_I	216_E	0.981	1.00
141_V	241_N	0.981	1.00
292_I	309_M	0.980	1.00
259_P	263_E	0.978	1.00
102_P	106_K	0.976	1.00
250_N	283_R	0.970	1.00
293_A	296_D	0.969	1.00
202_K	212_S	0.960	1.00
80_S	235_L	0.958	1.00
53_Y	323_K	0.953	1.00
254_S	257_E	0.952	1.00
265_L	271_L	0.948	1.00
65_L	297_T	0.944	1.00
198_I	202_K	0.943	1.00
255_I	262_Y	0.941	1.00
58_K	300_G	0.940	1.00
255_I	261_V	0.936	1.00
54_D	58_K	0.934	1.00
105_M	357_L	0.933	1.00
206_P	216_E	0.931	1.00
118_E	121_Q	0.931	1.00
365_S	369_A	0.931	1.00
321_E	325_D	0.929	1.00
297_T	303_L	0.923	1.00
154_H	157_Q	0.921	1.00
273_P	356_R	0.911	1.00
150_V	201_E	0.907	1.00
289_L	314_V	0.903	1.00
88_K	91_K	0.903	1.00
224_L	228_E	0.903	1.00
164_L	167_S	0.898	1.00
120_I	369_A	0.893	1.00
271_L	332_I	0.893	1.00
101_T	104_V	0.890	1.00
50_V	56_V	0.890	1.00
45_N	309_M	0.889	1.00
190_E	194_F	0.885	1.00
90_T	94_S	0.884	1.00
54_D	322_A	0.882	1.00
164_L	168_T	0.881	1.00
109_E	357_L	0.880	1.00
211_I	233_C	0.878	1.00
275_A	332_I	0.876	1.00
202_K	205_K	0.869	1.00
160_A	163_D	0.867	1.00
59_V	312_A	0.865	1.00
355_A	359_A	0.862	1.00
364_T	368_S	0.859	1.00
122_K	138_P	0.859	1.00
63_K	297_T	0.855	1.00
372_H	375_C	0.850	1.00
185_D	189_E	0.849	1.00
28_P	31_E	0.848	1.00
179_A	182_E	0.847	1.00
260_G	264_E	0.847	1.00
175_E	178_K	0.846	1.00
145_S	152_S	0.845	1.00
247_L	279_A	0.845	1.00
156_E	160_A	0.842	1.00
248_I	359_A	0.841	1.00
356_R	360_N	0.840	1.00
117_D	369_A	0.839	1.00
88_K	92_I	0.837	1.00
208_Q	212_S	0.831	1.00
88_K	228_E	0.831	1.00
131_L	252_M	0.819	1.00
103_R	107_Q	0.814	1.00
259_P	262_Y	0.812	1.00
58_K	297_T	0.812	1.00
189_E	192_A	0.811	1.00
115_I	151_P	0.810	1.00
159_K	163_D	0.809	1.00
100_F	350_L	0.809	1.00
110_P	114_E	0.808	1.00
274_Q	335_H	0.808	1.00
242_E	246_N	0.806	1.00
41_F	44_E	0.802	1.00
33_M	40_S	0.801	1.00
56_V	340_I	0.801	1.00
96_V	350_L	0.799	1.00
274_Q	337_N	0.799	1.00
46_Q	308_D	0.796	1.00
252_M	367_I	0.795	1.00
192_A	234_T	0.794	1.00
293_A	305_K	0.793	1.00
371_P	374_E	0.792	1.00
181_L	185_D	0.792	1.00
53_Y	57_K	0.790	1.00
128_E	375_C	0.789	1.00
122_K	126_R	0.786	1.00
64_E	67_S	0.785	1.00
133_H	138_P	0.784	1.00
39_V	55_D	0.783	1.00
187_C	190_E	0.783	1.00
61_G	344_H	0.782	1.00
54_D	57_K	0.782	1.00
49_S	313_F	0.781	1.00
197_G	200_E	0.780	1.00
37_A	302_H	0.775	1.00
135_F	362_A	0.771	1.00
304_I	310_V	0.770	1.00
135_F	252_M	0.770	1.00
192_A	227_E	0.768	1.00
139_L	143_V	0.768	1.00
360_N	364_T	0.767	1.00
256_L	372_H	0.765	1.00
52_L	300_G	0.758	1.00
260_G	263_E	0.756	1.00
193_A	196_A	0.752	1.00
118_E	151_P	0.752	1.00
218_E	223_K	0.752	1.00
89_H	93_R	0.752	1.00
272_M	360_N	0.749	1.00
138_P	142_I	0.743	1.00
114_E	151_P	0.742	1.00
31_E	316_S	0.740	1.00
38_P	320_D	0.739	1.00
99_A	213_I	0.738	1.00
143_V	358_E	0.734	1.00
261_V	331_D	0.733	1.00
361_I	365_S	0.729	1.00
74_T	77_I	0.729	1.00
303_L	306_E	0.729	1.00
59_V	299_I	0.729	1.00
96_V	236_L	0.727	1.00
199_I	203_R	0.726	1.00
244_T	358_E	0.726	1.00
195_F	233_C	0.722	1.00
103_R	106_K	0.719	1.00
112_I	354_L	0.719	1.00
162_S	166_V	0.717	1.00
163_D	167_S	0.716	1.00
107_Q	208_Q	0.714	1.00
300_G	303_L	0.712	1.00
271_L	275_A	0.711	1.00
161_W	164_L	0.710	1.00
375_C	378_I	0.709	1.00
140_P	244_T	0.707	1.00
255_I	275_A	0.705	1.00
259_P	371_P	0.705	1.00
183_E	186_K	0.703	1.00
68_S	294_K	0.703	1.00
247_L	280_L	0.700	1.00
102_P	353_P	0.698	1.00
84_M	92_I	0.697	1.00
299_I	304_I	0.697	1.00
328_H	331_D	0.696	1.00
123_F	129_F	0.695	1.00
60_V	312_A	0.695	1.00
196_A	227_E	0.694	1.00
129_F	134_D	0.692	1.00
67_S	85_D	0.692	1.00
255_I	367_I	0.690	1.00
156_E	159_K	0.689	1.00
194_F	197_G	0.688	1.00
123_F	134_D	0.686	1.00
39_V	302_H	0.685	1.00
93_R	97_N	0.685	1.00
251_A	330_F	0.684	1.00
71_P	74_T	0.684	1.00
284_A	318_N	0.683	1.00
96_V	232_F	0.683	1.00
219_E	222_E	0.682	1.00
207_E	212_S	0.682	1.00
354_L	358_E	0.680	1.00
240_G	243_T	0.676	1.00
47_V	309_M	0.675	1.00
314_V	340_I	0.672	1.00
272_M	363_L	0.672	1.00
208_Q	213_I	0.668	1.00
331_D	334_R	0.668	1.00
293_A	307_G	0.668	1.00
313_F	316_S	0.667	1.00
172_K	175_E	0.665	1.00
185_D	188_E	0.665	1.00
274_Q	332_I	0.663	1.00
239_A	243_T	0.663	1.00
164_L	190_E	0.663	1.00
344_H	348_F	0.663	1.00
110_P	113_Q	0.662	1.00
294_K	306_E	0.661	1.00
320_D	323_K	0.656	1.00
218_E	221_G	0.653	1.00
180_F	184_R	0.652	1.00
58_K	63_K	0.651	1.00
38_P	300_G	0.648	1.00
181_L	184_R	0.646	1.00
116_T	119_L	0.646	1.00
116_T	362_A	0.644	1.00
280_L	339_H	0.644	1.00
60_V	314_V	0.642	1.00
149_G	209_D	0.641	1.00
31_E	35_K	0.640	1.00
290_R	311_L	0.639	1.00
251_A	276_V	0.639	1.00
326_R	334_R	0.636	1.00
121_Q	124_Q	0.633	1.00
65_L	68_S	0.628	1.00
42_D	47_V	0.627	1.00
256_L	374_E	0.626	1.00
282_F	328_H	0.625	1.00
27_F	315_A	0.624	1.00
182_E	185_D	0.621	1.00
203_R	218_E	0.619	1.00
194_F	198_I	0.618	1.00
167_S	170_K	0.615	1.00
150_V	198_I	0.615	1.00
128_E	376_V	0.611	1.00
53_Y	320_D	0.610	1.00
119_L	123_F	0.605	1.00
100_F	236_L	0.603	1.00
252_M	363_L	0.602	1.00
133_H	137_Y	0.602	1.00
333_R	336_P	0.601	1.00
68_S	85_D	0.599	1.00
192_A	231_P	0.598	1.00
140_P	358_E	0.598	1.00
254_S	330_F	0.597	1.00
276_V	356_R	0.597	1.00
159_K	162_S	0.595	1.00
293_A	297_T	0.593	1.00
184_R	188_E	0.591	1.00
86_P	346_I	0.590	1.00
293_A	310_V	0.589	1.00
104_V	108_W	0.589	1.00
137_Y	163_D	0.586	1.00
342_F	356_R	0.586	1.00
276_V	360_N	0.584	1.00
272_M	275_A	0.583	1.00
68_S	84_M	0.583	1.00
206_P	212_S	0.582	1.00
58_K	299_I	0.580	1.00
144_I	147_L	0.579	1.00
166_V	170_K	0.579	1.00
208_Q	216_E	0.579	1.00
232_F	235_L	0.578	1.00
171_D	175_E	0.578	1.00
158_F	162_S	0.576	1.00
377_S	380_P	0.575	1.00
267_S	270_E	0.575	1.00
57_K	344_H	0.575	1.00
58_K	298_E	0.575	1.00
284_A	287_P	0.574	1.00
81_I	232_F	0.572	1.00
252_M	372_H	0.572	1.00
140_P	245_T	0.571	1.00
268_H	272_M	0.571	1.00
28_P	32_S	0.571	1.00
184_R	187_C	0.570	1.00
105_M	354_L	0.569	1.00
79_N	227_E	0.568	1.00
112_I	361_I	0.565	1.00
112_I	358_E	0.564	1.00
48_W	302_H	0.563	1.00
104_V	213_I	0.563	1.00
361_I	364_T	0.561	1.00
122_K	142_I	0.560	1.00
157_Q	197_G	0.559	1.00
247_L	276_V	0.558	1.00
51_F	320_D	0.558	1.00
293_A	306_E	0.557	1.00
122_K	125_G	0.557	1.00
66_F	293_A	0.556	1.00
78_G	82_I	0.555	1.00
81_I	235_L	0.554	1.00
256_L	375_C	0.553	1.00
325_D	329_M	0.553	1.00
209_D	213_I	0.552	1.00
49_S	311_L	0.551	1.00
272_M	276_V	0.551	1.00
26_P	30_Y	0.549	1.00
203_R	215_V	0.548	1.00
173_S	178_K	0.547	1.00
264_E	332_I	0.547	1.00
251_A	359_A	0.547	1.00
114_E	117_D	0.547	1.00
166_V	169_P	0.546	1.00
227_E	230_I	0.546	1.00
160_A	190_E	0.543	1.00
214_L	229_L	0.542	1.00
324_F	335_H	0.541	1.00
34_R	51_F	0.541	1.00
265_L	269_P	0.541	1.00
255_I	258_T	0.540	1.00
257_E	374_E	0.540	1.00
59_V	66_F	0.539	1.00
141_V	237_L	0.538	1.00
294_K	297_T	0.537	1.00
280_L	285_P	0.537	1.00
168_T	171_D	0.536	1.00
199_I	215_V	0.533	1.00
92_I	228_E	0.531	1.00
343_G	348_F	0.531	1.00
55_D	299_I	0.531	1.00
195_F	198_I	0.530	1.00
54_D	323_K	0.529	1.00
27_F	31_E	0.528	1.00
137_Y	245_T	0.526	1.00
304_I	308_D	0.525	1.00
119_L	122_K	0.525	1.00
218_E	222_E	0.525	1.00
161_W	187_C	0.524	1.00
376_V	379_T	0.524	1.00
128_E	132_V	0.523	1.00
290_R	309_M	0.522	1.00
40_S	51_F	0.521	1.00
331_D	337_N	0.520	1.00
30_Y	33_M	0.519	1.00
95_V	217_A	0.519	1.00
35_K	322_A	0.518	1.00
108_W	112_I	0.517	1.00
274_Q	331_D	0.517	1.00
53_Y	338_P	0.516	1.00
210_I	214_L	0.516	1.00
52_L	56_V	0.516	1.00
131_L	135_F	0.515	1.00
81_I	96_V	0.515	1.00
244_T	355_A	0.515	1.00
92_I	95_V	0.514	1.00
64_E	69_C	0.513	1.00
187_C	191_L	0.511	1.00
374_E	377_S	0.510	1.00
115_I	143_V	0.509	1.00
319_R	327_P	0.509	1.00
186_K	189_E	0.507	1.00
38_P	51_F	0.506	1.00
134_D	138_P	0.505	1.00
167_S	171_D	0.504	1.00
145_S	237_L	0.503	1.00
56_V	60_V	0.502	1.00
228_E	232_F	0.501	1.00
213_I	217_A	0.500	1.00
269_P	367_I	0.500	1.00
250_N	381_I	0.500	1.00

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
4rm4A	1	0.9167	100	0.215	Contact Map
2z3tA	1	0.9444	100	0.23	Contact Map
4tpnA	1	0.9394	100	0.234	Contact Map
2xkrA	1	0.9621	100	0.236	Contact Map
3bujA	1	0.9545	100	0.238	Contact Map
3ejbB	1	0.9419	100	0.24	Contact Map
4ggvA	1	0.9646	100	0.241	Contact Map
2uuqA	2	0.9444	100	0.243	Contact Map
1q5dA	1	0.9646	100	0.246	Contact Map
4e2pA	1	0.899	100	0.247	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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