Q97YR3 - SULSO - GREMLIN Contacts

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Q97YR3 - Mandelate racemase /muconate lactonizing enzyme related protein (MR/MLE)

UniProt:	Q97YR3	Sequences: MKVKPFSLSIPFNTEPPSDWKDAWDVQLYVKVEDEKDYGWGEALVAGSGIINSYLSIINDIAIPLLSRVELSEPIDVRTILEKILFSAGNCGVVSGAISAVEMALWSLKARKSNVELYKLIGDKIRDSVKVYASFPRFGKIDDVLIATRKSLERGFDLVKLHQSPSTVLAAVKAIRENYKEVKIAIDLNSPFDNLDVAKEFVDKVHKYEIEWIEEPLWPPNDYDLLSKLTEFSPIPIAAGENEYSLYGFKKLIESGITYLQPDIAKVGGVTKFLEILDLASKYKVRVLPHDRPDASPISLIYTLNIGLVKSQIEMVEYTIADFPNDLFYSLPKFKDGYISPPENLEVVERNIEKYSYKNRLRILHFSDLENKLMRKIT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	378 (313)
Sequences:	12195 (7289)
Seq/√Len:	412.0

ECOLI - GUDD GUDX RHMD RSPA DGOD AEEP MENC
BACSU - GUDD YITF AEEP MENC
HALSA - Q9HP25 Q9HS20 Q9HQN7
SULSO - Q97YR3 GAD Q97VG1 ARAD Q97YL9 Q97UK8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
69_V	80_I	3.407	1.00
128_S	338_Y	3.375	1.00
251_K	255_S	3.262	1.00
230_T	258_T	3.146	1.00
193_D	197_V	2.958	1.00
227_S	231_E	2.877	1.00
73_E	76_D	2.781	1.00
222_D	225_L	2.693	1.00
37_D	108_L	2.678	1.00
33_E	38_Y	2.674	1.00
30_V	100_A	2.673	1.00
250_K	254_E	2.597	1.00
31_K	38_Y	2.533	1.00
203_D	206_H	2.357	1.00
228_K	231_E	2.329	1.00
56_S	60_D	2.232	1.00
203_D	232_F	2.180	1.00
246_L	272_K	2.180	1.00
206_H	234_P	2.141	1.00
227_S	255_S	2.105	1.00
75_I	275_E	2.094	1.00
149_R	178_N	2.088	1.00
202_V	213_I	2.083	1.00
228_K	232_F	2.058	1.00
102_E	271_T	2.054	1.00
253_I	285_V	2.052	1.00
55_L	59_N	2.017	1.00
224_D	255_S	2.013	1.00
183_K	211_E	1.988	1.00
259_Y	286_R	1.982	1.00
267_V	276_I	1.959	1.00
149_R	153_E	1.929	1.00
31_K	40_W	1.925	1.00
69_V	76_D	1.914	1.00
37_D	112_K	1.913	1.00
110_A	117_L	1.903	1.00
35_E	112_K	1.901	1.00
170_A	173_K	1.900	1.00
145_L	178_N	1.898	1.00
202_V	233_S	1.878	1.00
173_K	208_Y	1.870	1.00
204_K	207_K	1.846	1.00
130_K	157_D	1.843	1.00
335_K	340_S	1.838	1.00
199_K	232_F	1.830	1.00
141_I	145_L	1.803	1.00
279_L	283_Y	1.787	1.00
201_F	205_V	1.779	1.00
140_K	143_D	1.775	1.00
77_V	105_L	1.765	1.00
249_F	276_I	1.759	1.00
254_E	283_Y	1.723	1.00
88_A	247_Y	1.709	1.00
37_D	111_R	1.683	1.00
32_V	105_L	1.678	1.00
115_V	119_K	1.678	1.00
150_K	154_R	1.661	1.00
116_E	119_K	1.623	1.00
174_A	177_E	1.611	1.00
43_A	100_A	1.610	1.00
169_L	204_K	1.587	1.00
217_L	229_L	1.584	1.00
278_D	281_S	1.561	1.00
150_K	153_E	1.547	1.00
128_S	340_S	1.538	1.00
196_D	228_K	1.531	1.00
195_L	228_K	1.520	1.00
61_I	92_G	1.507	1.00
63_I	67_S	1.506	1.00
274_L	278_D	1.489	1.00
152_L	182_V	1.471	1.00
72_S	112_K	1.471	1.00
167_T	170_A	1.469	1.00
253_I	279_L	1.440	1.00
250_K	279_L	1.432	1.00
199_K	228_K	1.428	1.00
107_S	111_R	1.415	1.00
59_N	63_I	1.408	1.00
248_G	251_K	1.405	1.00
277_L	310_K	1.403	1.00
76_D	80_I	1.397	1.00
252_L	257_I	1.391	1.00
102_E	106_W	1.382	1.00
173_K	177_E	1.382	1.00
195_L	229_L	1.379	1.00
308_L	341_P	1.375	1.00
124_K	127_D	1.364	1.00
173_K	207_K	1.363	1.00
221_N	248_G	1.353	1.00
200_E	203_D	1.326	1.00
29_Y	40_W	1.324	1.00
103_M	270_V	1.321	1.00
195_L	225_L	1.318	1.00
69_V	77_V	1.317	1.00
186_I	210_I	1.309	1.00
238_A	259_Y	1.292	1.00
81_L	98_I	1.292	1.00
251_K	254_E	1.286	1.00
143_D	146_I	1.285	1.00
107_S	302_Y	1.283	1.00
218_W	221_N	1.283	1.00
253_I	283_Y	1.273	1.00
273_F	306_I	1.263	1.00
130_K	338_Y	1.262	1.00
169_L	208_Y	1.260	1.00
272_K	275_E	1.252	1.00
136_P	168_V	1.249	1.00
217_L	225_L	1.240	1.00
274_L	310_K	1.236	1.00
146_I	149_R	1.236	1.00
79_T	83_K	1.218	1.00
109_K	113_S	1.217	1.00
115_V	120_L	1.215	1.00
110_A	120_L	1.214	1.00
149_R	152_L	1.212	1.00
175_I	179_Y	1.207	1.00
216_P	237_I	1.203	1.00
245_S	248_G	1.200	1.00
159_V	182_V	1.184	1.00
249_F	260_L	1.182	1.00
185_A	211_E	1.181	1.00
139_G	143_D	1.179	1.00
203_D	234_P	1.174	1.00
103_M	302_Y	1.170	1.00
53_S	56_S	1.168	1.00
200_E	204_K	1.164	1.00
147_A	150_K	1.161	1.00
286_R	314_E	1.151	1.00
176_R	181_E	1.147	1.00
170_A	174_A	1.144	1.00
216_P	229_L	1.134	1.00
275_E	278_D	1.127	1.00
206_H	235_I	1.125	1.00
260_L	280_A	1.125	1.00
148_T	159_V	1.124	1.00
146_I	150_K	1.124	1.00
324_P	327_L	1.123	1.00
279_L	282_K	1.122	1.00
278_D	282_K	1.111	1.00
145_L	177_E	1.108	1.00
264_I	273_F	1.105	1.00
246_L	279_L	1.104	1.00
29_Y	298_I	1.100	1.00
162_H	189_N	1.099	1.00
148_T	179_Y	1.095	1.00
199_K	229_L	1.089	1.00
60_D	64_P	1.078	1.00
239_A	252_L	1.078	1.00
197_V	200_E	1.077	1.00
106_W	271_T	1.077	1.00
74_P	109_K	1.077	1.00
70_E	73_E	1.075	1.00
185_A	212_W	1.064	1.00
42_E	298_I	1.061	1.00
145_L	149_R	1.046	1.00
198_A	202_V	1.044	1.00
161_L	175_I	1.041	1.00
179_Y	184_I	1.037	1.00
75_I	274_L	1.031	1.00
151_S	154_R	1.022	1.00
119_K	343_E	1.016	1.00
34_D	71_L	1.006	1.00
169_L	173_K	1.002	1.00
250_K	283_Y	1.001	1.00
72_S	109_K	0.999	1.00
192_F	198_A	0.997	1.00
238_A	261_Q	0.995	1.00
113_S	120_L	0.988	1.00
69_V	73_E	0.986	1.00
275_E	281_S	0.983	1.00
281_S	311_S	0.981	1.00
72_S	113_S	0.972	1.00
215_E	261_Q	0.959	1.00
229_L	237_I	0.958	1.00
166_S	170_A	0.951	1.00
142_D	146_I	0.951	1.00
172_V	186_I	0.950	1.00
192_F	201_F	0.950	1.00
152_L	159_V	0.943	1.00
176_R	184_I	0.939	1.00
217_L	226_L	0.938	1.00
195_L	199_K	0.932	1.00
174_A	178_N	0.931	1.00
263_D	290_H	0.927	1.00
145_L	179_Y	0.926	1.00
289_P	312_Q	0.922	1.00
210_I	235_I	0.919	1.00
224_D	227_S	0.914	1.00
267_V	273_F	0.912	1.00
121_I	274_L	0.910	1.00
264_I	303_T	0.909	1.00
253_I	260_L	0.906	1.00
77_V	80_I	0.906	1.00
277_L	287_V	0.901	1.00
52_N	56_S	0.900	1.00
172_V	208_Y	0.896	1.00
106_W	270_V	0.893	1.00
55_L	58_I	0.891	1.00
132_Y	135_F	0.890	1.00
179_Y	182_V	0.889	1.00
340_S	343_E	0.886	1.00
198_A	217_L	0.877	1.00
188_L	213_I	0.876	1.00
246_L	275_E	0.875	1.00
109_K	120_L	0.872	1.00
117_L	270_V	0.870	1.00
131_V	134_S	0.867	1.00
65_L	80_I	0.867	1.00
165_P	201_F	0.867	1.00
225_L	228_K	0.865	1.00
117_L	121_I	0.864	1.00
169_L	179_Y	0.861	1.00
270_V	302_Y	0.850	1.00
56_S	59_N	0.850	1.00
158_L	185_A	0.848	1.00
78_R	81_L	0.842	1.00
82_E	272_K	0.840	1.00
77_V	81_L	0.839	1.00
141_I	170_A	0.838	1.00
71_L	105_L	0.836	1.00
165_P	169_L	0.836	1.00
257_I	260_L	0.836	1.00
226_L	237_I	0.833	1.00
192_F	213_I	0.830	1.00
274_L	309_V	0.827	1.00
169_L	207_K	0.826	1.00
118_Y	305_N	0.822	1.00
66_L	69_V	0.821	1.00
277_L	281_S	0.820	1.00
78_R	82_E	0.820	1.00
52_N	60_D	0.817	1.00
28_L	55_L	0.816	1.00
244_Y	248_G	0.815	1.00
304_L	339_I	0.815	1.00
236_P	314_E	0.813	1.00
224_D	251_K	0.812	1.00
33_E	36_K	0.812	1.00
196_D	200_E	0.812	1.00
264_I	306_I	0.810	1.00
243_E	249_F	0.805	1.00
40_W	298_I	0.803	1.00
334_F	339_I	0.801	1.00
277_L	289_P	0.801	1.00
240_G	263_D	0.799	1.00
239_A	257_I	0.799	1.00
64_P	67_S	0.798	1.00
163_Q	188_L	0.796	1.00
118_Y	341_P	0.794	1.00
188_L	192_F	0.793	1.00
247_Y	250_K	0.792	1.00
172_V	205_V	0.792	1.00
44_L	47_G	0.791	1.00
198_A	229_L	0.789	1.00
226_L	239_A	0.788	1.00
262_P	277_L	0.787	1.00
33_E	40_W	0.783	1.00
57_I	61_I	0.781	1.00
246_L	276_I	0.781	1.00
108_L	112_K	0.780	1.00
61_I	64_P	0.780	1.00
256_G	285_V	0.777	1.00
113_S	116_E	0.776	1.00
141_I	174_A	0.774	1.00
61_I	65_L	0.769	1.00
71_L	112_K	0.768	1.00
78_R	271_T	0.767	1.00
193_D	196_D	0.766	1.00
78_R	102_E	0.763	1.00
206_H	233_S	0.759	1.00
154_R	174_A	0.759	1.00
58_I	101_V	0.758	1.00
281_S	312_Q	0.757	1.00
223_Y	252_L	0.754	1.00
262_P	273_F	0.751	1.00
119_K	124_K	0.749	1.00
106_W	117_L	0.747	1.00
58_I	63_I	0.746	1.00
32_V	66_L	0.742	1.00
243_E	248_G	0.742	1.00
123_D	126_R	0.740	1.00
65_L	84_I	0.738	1.00
166_S	204_K	0.738	1.00
304_L	341_P	0.737	1.00
270_V	274_L	0.733	1.00
260_L	285_V	0.731	1.00
74_P	77_V	0.728	1.00
223_Y	251_K	0.725	1.00
115_V	123_D	0.724	1.00
71_L	109_K	0.724	1.00
333_K	340_S	0.723	1.00
134_S	141_I	0.722	1.00
41_G	44_L	0.720	1.00
243_E	252_L	0.720	1.00
79_T	275_E	0.719	1.00
176_R	209_E	0.717	1.00
318_Y	321_A	0.716	1.00
180_K	209_E	0.714	1.00
195_L	217_L	0.713	1.00
73_E	119_K	0.713	1.00
335_K	338_Y	0.711	1.00
148_T	175_I	0.711	1.00
54_Y	58_I	0.710	1.00
172_V	179_Y	0.703	1.00
128_S	336_D	0.697	1.00
57_I	93_V	0.696	1.00
249_F	285_V	0.695	1.00
169_L	172_V	0.688	1.00
53_S	57_I	0.684	1.00
145_L	174_A	0.681	1.00
57_I	60_D	0.680	1.00
289_P	307_G	0.678	1.00
176_R	179_Y	0.676	1.00
145_L	175_I	0.675	1.00
107_S	301_I	0.673	0.99
145_L	148_T	0.673	0.99
199_K	233_S	0.671	0.99
260_L	276_I	0.671	0.99
249_F	280_A	0.670	0.99
117_L	120_L	0.668	0.99
164_S	168_V	0.668	0.99
98_I	269_G	0.667	0.99
41_G	100_A	0.665	0.99
75_I	127_D	0.664	0.99
274_L	306_I	0.663	0.99
158_L	183_K	0.662	0.99
32_V	39_G	0.661	0.99
308_L	342_P	0.661	0.99
199_K	217_L	0.657	0.99
133_A	156_F	0.656	0.99
261_Q	290_H	0.655	0.99
307_G	316_V	0.651	0.99
230_T	237_I	0.650	0.99
280_A	285_V	0.649	0.99
176_R	180_K	0.648	0.99
110_A	115_V	0.648	0.99
161_L	172_V	0.647	0.99
75_I	79_T	0.647	0.99
109_K	112_K	0.646	0.99
106_W	121_I	0.646	0.99
65_L	69_V	0.645	0.99
39_G	107_S	0.645	0.99
200_E	232_F	0.643	0.99
75_I	271_T	0.642	0.99
199_K	203_D	0.641	0.99
291_D	300_L	0.640	0.99
149_R	179_Y	0.637	0.99
229_L	233_S	0.636	0.99
137_R	144_V	0.634	0.99
202_V	235_I	0.629	0.99
212_W	288_L	0.627	0.99
133_A	151_S	0.626	0.99
124_K	343_E	0.626	0.99
167_T	171_A	0.626	0.99
48_S	51_I	0.625	0.99
121_I	270_V	0.625	0.99
287_V	312_Q	0.624	0.99
226_L	229_L	0.623	0.99
316_V	321_A	0.622	0.99
223_Y	255_S	0.621	0.99
121_I	309_V	0.618	0.99
295_A	299_S	0.616	0.99
38_Y	111_R	0.615	0.99
145_L	160_K	0.614	0.99
80_I	83_K	0.611	0.99
117_L	305_N	0.609	0.99
79_T	82_E	0.608	0.99
262_P	287_V	0.608	0.99
188_L	202_V	0.605	0.99
247_Y	251_K	0.602	0.99
42_E	45_V	0.602	0.99
63_I	101_V	0.600	0.99
332_P	339_I	0.599	0.99
53_S	60_D	0.599	0.99
270_V	306_I	0.594	0.99
39_G	104_A	0.593	0.99
76_D	79_T	0.593	0.99
111_R	114_N	0.592	0.99
281_S	287_V	0.591	0.99
316_V	319_T	0.590	0.99
196_D	199_K	0.589	0.99
277_L	312_Q	0.588	0.99
280_A	287_V	0.585	0.99
148_T	174_A	0.585	0.99
70_E	119_K	0.585	0.99
151_S	156_F	0.585	0.99
58_I	64_P	0.582	0.99
105_L	109_K	0.582	0.99
230_T	256_G	0.581	0.99
168_V	189_N	0.581	0.99
146_I	178_N	0.580	0.98
66_L	101_V	0.580	0.98
265_A	292_R	0.579	0.98
51_I	55_L	0.579	0.98
41_G	47_G	0.577	0.98
130_K	183_K	0.577	0.98
246_L	250_K	0.576	0.98
317_E	321_A	0.576	0.98
57_I	97_A	0.574	0.98
211_E	236_P	0.574	0.98
323_F	328_F	0.570	0.98
82_E	98_I	0.570	0.98
152_L	179_Y	0.569	0.98
41_G	45_V	0.569	0.98
287_V	310_K	0.569	0.98
273_F	289_P	0.565	0.98
168_V	192_F	0.562	0.98
257_I	285_V	0.562	0.98
302_Y	306_I	0.560	0.98
227_S	256_G	0.559	0.98
147_A	151_S	0.558	0.98
142_D	145_L	0.557	0.98
157_D	336_D	0.557	0.98
215_E	240_G	0.556	0.98
172_V	184_I	0.555	0.98
301_I	305_N	0.554	0.98
122_G	126_R	0.553	0.98
249_F	262_P	0.553	0.98
81_L	269_G	0.552	0.98
74_P	105_L	0.552	0.98
159_V	179_Y	0.549	0.98
163_Q	192_F	0.547	0.98
317_E	320_I	0.547	0.98
126_R	129_V	0.545	0.98
74_P	271_T	0.544	0.98
30_V	101_V	0.544	0.98
135_F	151_S	0.544	0.98
215_E	241_E	0.543	0.98
89_G	92_G	0.543	0.98
45_V	96_G	0.542	0.98
131_V	339_I	0.540	0.98
128_S	335_K	0.540	0.98
215_E	242_N	0.539	0.98
34_D	37_D	0.536	0.98
233_S	237_I	0.536	0.98
166_S	169_L	0.532	0.97
74_P	120_L	0.532	0.97
166_S	180_K	0.532	0.97
77_V	82_E	0.528	0.97
116_E	122_G	0.527	0.97
297_P	328_F	0.526	0.97
198_A	213_I	0.524	0.97
71_L	108_L	0.524	0.97
148_T	178_N	0.523	0.97
177_E	180_K	0.522	0.97
163_Q	186_I	0.522	0.97
103_M	265_A	0.520	0.97
304_L	342_P	0.520	0.97
330_S	333_K	0.518	0.97
168_V	176_R	0.517	0.97
152_L	178_N	0.516	0.97
133_A	288_L	0.515	0.97
186_I	205_V	0.515	0.97
102_E	269_G	0.512	0.97
144_V	147_A	0.512	0.97
134_S	137_R	0.511	0.97
139_G	144_V	0.511	0.97
66_L	77_V	0.511	0.97
30_V	58_I	0.511	0.97
202_V	205_V	0.510	0.97
203_D	207_K	0.509	0.97
201_F	204_K	0.507	0.97
110_A	113_S	0.505	0.96
144_V	182_V	0.504	0.96
323_F	326_D	0.504	0.96
166_S	173_K	0.503	0.96
34_D	112_K	0.503	0.96
52_N	55_L	0.502	0.96
32_V	104_A	0.501	0.96
226_L	257_I	0.500	0.96
236_P	259_Y	0.500	0.96

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
3s5sA	2	0.9074	100	0.237	Contact Map
1r0mA	2	0.9048	100	0.237	Contact Map
2zc8A	5	0.9286	100	0.244	Contact Map
3i6eA	4	0.8915	100	0.246	Contact Map
1wueA	2	0.9233	100	0.246	Contact Map
1wufA	2	0.9312	100	0.248	Contact Map
1sjdA	5	0.9259	100	0.25	Contact Map
3qldA	2	0.9444	100	0.251	Contact Map
3u9iA	2	0.8677	100	0.252	Contact Map
3dgbA	5	0.918	100	0.257	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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