MCCA - BACSU - GREMLIN Contacts

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MCCA - O-acetylserine dependent cystathionine beta-synthase

UniProt:	O05393	Sequences: MTVITDITELIGNTPLLRLKNFDVPEGVAVYAKLEMMNPGGSIKDRLGDMLIRDALDSGKVKPGGVIIEATAGNTGIGLALSARKYGLKAIFCVPEHFSREKQQIMQALGASIIHTPRQDGMQGAIQKAIQLETEIENSYCVLQFKNRVNPSTYYKTLGPEMWEALDGNIHTFVAGAGSGGTFAGTASFLKEKNPAVKTVIVEPVGSILNGGEPHAHKTEGIGMEFIPDYMDKSHFDEIYTVTDENAFRLVKEAAEKEGLLIGSSSGAALYAALEEAKKASAGTNIVTVFPDSSDRYISKQIYEGGI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	307 (280)
Sequences:	21178 (11236)
Seq/√Len:	671.5

ECOLI - CYSK CYSM ILVA TDCB TRPB DPAL SDHD DCYD THRC
BACSU - MCCA CYSM CYSK ILVA THRC TRPB SDHD
HALSA - Q9HQ70 Q9HNH6 Q9HRU4 Q9HMQ7 TRPB Q9HNH0 Q9HRP3
SULSO - Q980P1 TRPB2 TRPB1 Q97ZL6 Q980F2 Q97ZT5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
83_A	90_A	3.911	1.00
29_A	285_N	3.372	1.00
128_K	131_Q	3.333	1.00
18_R	29_A	3.050	1.00
246_N	275_E	2.586	1.00
162_M	287_V	2.580	1.00
172_T	200_V	2.578	1.00
100_R	104_Q	2.573	1.00
253_E	257_K	2.557	1.00
54_D	58_S	2.501	1.00
93_C	132_L	2.494	1.00
13_N	164_E	2.434	1.00
205_V	243_T	2.419	1.00
96_E	117_P	2.341	1.00
89_K	112_S	2.337	1.00
54_D	149_V	2.324	1.00
56_L	88_L	2.258	1.00
198_K	238_E	2.255	1.00
91_I	112_S	2.244	1.00
66_V	91_I	2.203	1.00
131_Q	135_E	2.178	1.00
31_Y	285_N	2.042	1.00
13_N	165_A	2.037	1.00
53_R	86_Y	2.033	1.00
187_A	235_H	2.030	1.00
91_I	114_I	2.015	1.00
206_G	244_D	2.008	1.00
269_A	288_T	2.005	1.00
160_P	189_F	2.002	1.00
281_S	284_T	1.990	1.00
243_T	246_N	1.980	1.00
187_A	199_T	1.952	1.00
146_K	229_D	1.934	1.00
16_L	287_V	1.898	1.00
155_Y	192_E	1.869	1.00
194_N	197_V	1.813	1.00
177_A	201_I	1.796	1.00
202_V	272_A	1.780	1.00
56_L	59_G	1.777	1.00
200_V	238_E	1.764	1.00
173_F	190_L	1.757	1.00
143_L	146_K	1.740	1.00
254_A	262_I	1.736	1.00
40_G	81_L	1.703	1.00
155_Y	188_S	1.691	1.00
130_I	134_T	1.688	1.00
253_E	274_L	1.635	1.00
170_I	287_V	1.634	1.00
254_A	270_L	1.626	1.00
31_Y	166_L	1.620	1.00
250_L	271_Y	1.605	1.00
18_R	31_Y	1.599	1.00
173_F	186_T	1.572	1.00
191_K	237_D	1.562	1.00
18_R	23_D	1.557	1.00
103_Q	115_H	1.556	1.00
171_H	285_N	1.552	1.00
222_I	268_A	1.551	1.00
171_H	284_T	1.541	1.00
49_D	53_R	1.531	1.00
238_E	279_K	1.529	1.00
32_A	290_F	1.498	1.00
56_L	86_Y	1.490	1.00
104_Q	107_Q	1.477	1.00
71_T	76_G	1.463	1.00
159_G	186_T	1.455	1.00
172_T	284_T	1.435	1.00
103_Q	107_Q	1.416	1.00
172_T	281_S	1.402	1.00
117_P	120_D	1.391	1.00
174_V	276_E	1.381	1.00
250_L	274_L	1.376	1.00
114_I	128_K	1.371	1.00
183_F	236_F	1.351	1.00
121_G	124_G	1.350	1.00
51_L	147_N	1.349	1.00
120_D	124_G	1.344	1.00
25_P	253_E	1.343	1.00
159_G	190_L	1.341	1.00
100_R	103_Q	1.336	1.00
126_I	130_I	1.330	1.00
174_V	202_V	1.308	1.00
133_E	141_C	1.300	1.00
210_N	241_T	1.290	1.00
169_N	285_N	1.288	1.00
246_N	271_Y	1.287	1.00
53_R	57_D	1.275	1.00
159_G	189_F	1.270	1.00
94_V	106_M	1.263	1.00
271_Y	275_E	1.260	1.00
262_I	290_F	1.255	1.00
172_T	198_K	1.254	1.00
205_V	241_T	1.253	1.00
50_M	156_K	1.250	1.00
189_F	193_K	1.241	1.00
106_M	111_A	1.240	1.00
276_E	279_K	1.237	1.00
166_L	170_I	1.233	1.00
188_S	232_D	1.231	1.00
21_N	258_E	1.223	1.00
19_L	32_A	1.218	1.00
25_P	257_K	1.204	1.00
190_L	197_V	1.198	1.00
250_L	270_L	1.198	1.00
54_D	57_D	1.197	1.00
93_C	128_K	1.196	1.00
163_W	193_K	1.189	1.00
163_W	189_F	1.185	1.00
160_P	164_E	1.184	1.00
123_Q	127_Q	1.177	1.00
66_V	89_K	1.176	1.00
249_R	253_E	1.168	1.00
183_F	199_T	1.165	1.00
130_I	133_E	1.153	1.00
17_L	34_L	1.151	1.00
76_G	106_M	1.147	1.00
266_S	290_F	1.145	1.00
15_P	37_M	1.141	1.00
208_I	211_G	1.136	1.00
201_I	239_I	1.135	1.00
103_Q	113_I	1.132	1.00
16_L	166_L	1.112	1.00
240_Y	272_A	1.108	1.00
242_V	271_Y	1.107	1.00
16_L	162_M	1.099	1.00
50_M	153_T	1.095	1.00
246_N	249_R	1.094	1.00
52_I	67_I	1.093	1.00
276_E	280_A	1.091	1.00
163_W	194_N	1.088	1.00
200_V	240_Y	1.087	1.00
218_K	248_F	1.083	1.00
275_E	278_K	1.080	1.00
255_A	261_L	1.071	1.00
183_F	201_I	1.067	1.00
127_Q	131_Q	1.043	1.00
245_E	249_R	1.042	1.00
50_M	54_D	1.041	1.00
219_T	247_A	1.041	1.00
127_Q	130_I	1.038	1.00
122_M	125_A	1.035	1.00
128_K	132_L	1.030	1.00
27_G	282_A	1.029	1.00
94_V	115_H	1.028	1.00
58_S	149_V	1.022	1.00
30_V	273_A	1.017	1.00
67_I	83_A	1.012	1.00
166_L	287_V	1.010	1.00
52_I	86_Y	1.009	1.00
162_M	170_I	1.006	1.00
20_K	24_V	1.004	1.00
252_K	256_E	0.999	1.00
79_L	90_A	0.999	1.00
50_M	53_R	0.998	1.00
48_G	78_G	0.997	1.00
172_T	286_I	0.992	1.00
124_G	127_Q	0.992	1.00
68_I	139_S	0.990	1.00
84_R	90_A	0.975	1.00
251_V	267_G	0.968	1.00
52_I	82_S	0.964	1.00
81_L	109_L	0.964	1.00
151_P	230_Y	0.963	1.00
78_G	82_S	0.962	1.00
21_N	257_K	0.956	1.00
210_N	239_I	0.955	1.00
132_L	137_E	0.950	1.00
186_T	289_V	0.947	1.00
240_Y	275_E	0.944	1.00
51_L	142_V	0.943	1.00
68_I	132_L	0.941	1.00
273_A	288_T	0.940	1.00
262_I	266_S	0.939	1.00
96_E	120_D	0.937	1.00
107_Q	112_S	0.927	1.00
198_K	237_D	0.923	1.00
65_G	138_N	0.917	1.00
154_Y	158_L	0.915	1.00
129_A	133_E	0.910	1.00
80_A	111_A	0.905	1.00
131_Q	134_T	0.903	1.00
133_E	139_S	0.901	1.00
21_N	24_V	0.897	1.00
184_A	230_Y	0.892	1.00
177_A	183_F	0.889	1.00
175_A	186_T	0.888	1.00
189_F	192_E	0.887	1.00
155_Y	189_F	0.884	1.00
277_A	280_A	0.881	1.00
10_L	49_D	0.870	1.00
222_I	265_S	0.863	1.00
34_L	290_F	0.861	1.00
174_V	273_A	0.858	1.00
69_E	92_F	0.855	1.00
28_V	284_T	0.851	1.00
156_K	160_P	0.851	1.00
269_A	291_P	0.847	1.00
68_I	129_A	0.847	1.00
261_L	294_S	0.845	1.00
104_Q	108_A	0.844	1.00
208_I	225_E	0.843	1.00
183_F	232_D	0.839	1.00
55_A	59_G	0.836	1.00
270_L	290_F	0.832	1.00
174_V	200_V	0.831	1.00
266_S	291_P	0.828	1.00
250_L	253_E	0.827	1.00
19_L	270_L	0.821	1.00
120_D	127_Q	0.821	1.00
160_P	193_K	0.820	1.00
107_Q	115_H	0.819	1.00
217_H	223_G	0.810	1.00
55_A	140_Y	0.810	1.00
218_K	244_D	0.803	1.00
68_I	133_E	0.802	1.00
91_I	132_L	0.802	1.00
158_L	186_T	0.801	1.00
172_T	276_E	0.797	1.00
23_D	26_E	0.795	1.00
65_G	89_K	0.793	1.00
66_V	139_S	0.792	1.00
174_V	272_A	0.792	1.00
28_V	286_I	0.790	1.00
132_L	135_E	0.784	1.00
153_T	156_K	0.783	1.00
209_L	232_D	0.777	1.00
14_T	38_N	0.777	1.00
81_L	85_K	0.777	1.00
188_S	192_E	0.775	1.00
163_W	190_L	0.774	1.00
275_E	279_K	0.770	1.00
77_I	106_M	0.768	1.00
84_R	109_L	0.768	1.00
34_L	37_M	0.766	1.00
172_T	280_A	0.765	1.00
170_I	197_V	0.764	1.00
198_K	284_T	0.762	1.00
129_A	141_C	0.761	1.00
158_L	289_V	0.760	1.00
226_F	229_D	0.760	1.00
91_I	139_S	0.756	1.00
28_V	283_G	0.751	1.00
169_N	194_N	0.742	1.00
166_L	285_N	0.738	1.00
158_L	182_T	0.738	1.00
56_L	60_K	0.731	1.00
19_L	258_E	0.730	1.00
247_A	268_A	0.730	1.00
26_E	253_E	0.730	1.00
50_M	149_V	0.730	1.00
92_F	106_M	0.729	1.00
232_D	235_H	0.728	1.00
177_A	239_I	0.727	1.00
270_L	288_T	0.727	1.00
60_K	88_L	0.726	1.00
274_L	278_K	0.716	1.00
24_V	27_G	0.716	1.00
240_Y	279_K	0.713	1.00
248_F	264_S	0.710	1.00
233_K	236_F	0.706	1.00
67_I	88_L	0.704	1.00
262_I	267_G	0.702	1.00
20_K	23_D	0.699	1.00
77_I	105_I	0.699	1.00
186_T	190_L	0.697	1.00
32_A	288_T	0.697	1.00
41_G	293_S	0.693	1.00
280_A	284_T	0.693	1.00
176_G	291_P	0.692	1.00
29_A	283_G	0.691	1.00
116_T	120_D	0.689	1.00
48_G	82_S	0.688	1.00
158_L	162_M	0.688	1.00
43_I	182_T	0.687	1.00
170_I	285_N	0.685	1.00
173_F	289_V	0.684	1.00
22_F	274_L	0.684	1.00
148_R	230_Y	0.681	1.00
151_P	188_S	0.679	1.00
70_A	141_C	0.678	1.00
143_L	147_N	0.678	1.00
89_K	139_S	0.673	1.00
164_E	193_K	0.671	1.00
26_E	274_L	0.670	1.00
70_A	122_M	0.669	1.00
90_A	111_A	0.669	1.00
209_L	239_I	0.669	1.00
32_A	270_L	0.669	1.00
98_F	220_E	0.668	1.00
23_D	29_A	0.667	1.00
93_C	114_I	0.665	1.00
11_I	45_D	0.664	1.00
148_R	151_P	0.664	1.00
67_I	142_V	0.664	1.00
238_E	276_E	0.661	1.00
116_T	128_K	0.659	1.00
204_P	222_I	0.659	1.00
12_G	39_P	0.658	1.00
209_L	227_I	0.658	1.00
96_E	115_H	0.655	1.00
51_L	149_V	0.651	1.00
227_I	230_Y	0.650	1.00
100_R	107_Q	0.647	1.00
54_D	60_K	0.646	1.00
47_L	51_L	0.644	1.00
163_W	168_G	0.640	1.00
175_A	183_F	0.636	1.00
232_D	236_F	0.632	1.00
102_K	220_E	0.631	1.00
93_C	116_T	0.630	1.00
173_F	197_V	0.630	1.00
16_L	31_Y	0.627	1.00
33_K	161_E	0.627	1.00
19_L	22_F	0.626	1.00
177_A	209_L	0.623	1.00
141_C	184_A	0.622	1.00
254_A	258_E	0.619	1.00
176_G	269_A	0.618	1.00
28_V	277_A	0.615	1.00
163_W	166_L	0.614	1.00
254_A	290_F	0.614	1.00
76_G	92_F	0.612	1.00
57_D	64_G	0.611	1.00
22_F	270_L	0.611	1.00
112_S	137_E	0.609	1.00
60_K	140_Y	0.608	1.00
98_F	103_Q	0.607	1.00
251_V	264_S	0.607	1.00
68_I	93_C	0.606	1.00
191_K	234_S	0.605	1.00
200_V	276_E	0.602	1.00
11_I	49_D	0.600	1.00
67_I	90_A	0.599	1.00
51_L	150_N	0.597	1.00
174_V	286_I	0.597	1.00
94_V	103_Q	0.596	1.00
34_L	260_L	0.593	1.00
45_D	81_L	0.591	1.00
73_G	76_G	0.591	1.00
254_A	260_L	0.590	1.00
244_D	248_F	0.589	1.00
80_A	106_M	0.588	1.00
202_V	268_A	0.586	1.00
266_S	269_A	0.582	1.00
162_M	186_T	0.581	1.00
12_G	38_N	0.581	1.00
191_K	235_H	0.581	1.00
10_L	37_M	0.579	1.00
36_M	293_S	0.578	1.00
121_G	125_A	0.578	1.00
22_F	250_L	0.577	1.00
202_V	240_Y	0.574	1.00
221_G	265_S	0.574	1.00
80_A	90_A	0.573	1.00
23_D	30_V	0.570	1.00
89_K	137_E	0.566	1.00
201_I	236_F	0.566	1.00
124_G	128_K	0.565	1.00
272_A	276_E	0.565	1.00
94_V	98_F	0.565	1.00
40_G	109_L	0.564	1.00
122_M	126_I	0.564	1.00
133_E	137_E	0.564	1.00
39_P	45_D	0.563	1.00
151_P	231_M	0.562	1.00
242_V	268_A	0.561	1.00
206_G	215_H	0.559	1.00
91_I	137_E	0.559	1.00
69_E	79_L	0.557	1.00
270_L	274_L	0.556	1.00
105_I	108_A	0.556	1.00
122_M	144_Q	0.555	1.00
153_T	188_S	0.554	1.00
173_F	199_T	0.554	1.00
47_L	75_T	0.551	1.00
22_F	253_E	0.551	1.00
114_I	132_L	0.547	1.00
249_R	252_K	0.544	1.00
16_L	165_A	0.542	1.00
64_G	89_K	0.542	1.00
36_M	260_L	0.539	1.00
153_T	157_T	0.539	1.00
128_K	135_E	0.537	1.00
212_G	215_H	0.537	1.00
51_L	140_Y	0.535	1.00
203_E	210_N	0.535	1.00
79_L	92_F	0.535	1.00
10_L	53_R	0.534	1.00
149_V	153_T	0.533	1.00
70_A	129_A	0.533	1.00
231_M	236_F	0.531	1.00
203_E	208_I	0.526	1.00
22_F	26_E	0.526	1.00
32_A	254_A	0.524	0.99
22_F	257_K	0.522	0.99
184_A	188_S	0.521	0.99
64_G	138_N	0.521	0.99
132_L	139_S	0.519	0.99
105_I	261_L	0.516	0.99
79_L	142_V	0.516	0.99
25_P	274_L	0.515	0.99
130_I	143_L	0.515	0.99
126_I	129_A	0.514	0.99
154_Y	157_T	0.514	0.99
200_V	237_D	0.512	0.99
70_A	142_V	0.512	0.99
28_V	282_A	0.509	0.99
59_G	140_Y	0.509	0.99
125_A	129_A	0.506	0.99
186_T	189_F	0.506	0.99
160_P	192_E	0.506	0.99
244_D	247_A	0.504	0.99
166_L	169_N	0.504	0.99
113_I	117_P	0.503	0.99
162_M	289_V	0.502	0.99
92_F	111_A	0.502	0.99
71_T	92_F	0.502	0.99
47_L	151_P	0.501	0.99
70_A	126_I	0.500	0.99
151_P	184_A	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
1y7lA	2	0.9772	100	0.119	Contact Map
4ofxA	2	0.9121	100	0.127	Contact Map
4ql4A	2	0.8893	100	0.129	Contact Map
2pqmA	2	0.9967	100	0.133	Contact Map
4r2vA	2	0.9902	100	0.136	Contact Map
3pc3A	2	1	100	0.138	Contact Map
2eguA	2	0.8795	100	0.139	Contact Map
1z7wA	2	1	100	0.14	Contact Map
3x44A	3	0.987	100	0.14	Contact Map
3vc3A	2	1	100	0.142	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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