Q97WQ7 - SULSO - GREMLIN Contacts

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Q97WQ7 - Acetyl-CoA C-acetyltransferase (Acetoacetyl-CoA thiolase) (AcaB-2)

UniProt:	Q97WQ7	Sequences: MGTFLNRIAIIGLGWYGFKPTTHEVSFREMVFEAASRAYKDAGGINPRSDVDSFISCQEDFWEGISIADEFAPDQMGGAMRPTMTVAGDSLQGLAHAAMHINSGVANVVSIEAHSKVSDILTFSDLEKFAMDPIYIRSINPPNFHFIAGLDAVKFMHRKGITREDLALVVEKNKKAGLSSPRASFASNISAVDVMKKNYVVYPLSELDIAPFVDGAIVIVVADEEVAKKLKKDDYLVVKGIGFATDSSNLETAELGKANYMKIASDMAYKMAGVETPRRYFDAVFVDDRYSYKELQHLEGLRVSEEPSKDLREGNFSPQGEVPVNPLGGHMAKGVPLEASGFSLLLDAIEYIKQGKGERAVVASWRGIPTLTGSVVVVEKP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	381 (346)
Sequences:	15355 (8330)
Seq/√Len:	447.8

ECOLI - PAAJ ATOB YQEF FADA FADI
BACSU - THL FADA YHFS
HALSA - Q9HRI8 Q9HNK4 Q9HQZ8
SULSO - Q97WQ7 Q97WQ6 Q97VJ9 Q97VU9 Q97UA5 Q97UW8 Q97VD4 Q97VV9 Q97W61 Q7LXW2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
172_K	176_A	3.472	1.00
7_R	224_E	3.437	1.00
226_V	230_L	3.380	1.00
165_D	299_E	3.310	1.00
106_A	109_V	3.041	1.00
348_A	360_A	2.977	1.00
94_L	345_L	2.932	1.00
171_E	191_A	2.912	1.00
37_R	40_K	2.863	1.00
6_N	225_E	2.843	1.00
275_E	279_R	2.702	1.00
172_K	175_K	2.676	1.00
226_V	229_K	2.669	1.00
224_E	228_K	2.656	1.00
179_S	183_A	2.630	1.00
157_H	202_Y	2.568	1.00
268_A	272_A	2.551	1.00
35_A	110_S	2.524	1.00
9_A	227_A	2.492	1.00
101_I	221_V	2.461	1.00
13_L	346_L	2.452	1.00
38_A	220_V	2.343	1.00
14_G	41_D	2.305	1.00
268_A	375_V	2.253	1.00
108_V	222_A	2.182	1.00
352_I	357_G	2.114	1.00
101_I	223_D	2.114	1.00
236_L	349_I	2.108	1.00
97_A	109_V	2.104	1.00
162_T	165_D	2.072	1.00
240_G	272_A	2.062	1.00
31_V	55_I	2.037	1.00
11_I	222_A	2.026	1.00
283_A	326_P	2.018	1.00
46_N	49_S	1.994	1.00
235_Y	353_K	1.971	1.00
7_R	237_V	1.952	1.00
164_E	168_L	1.891	1.00
237_V	377_V	1.876	1.00
182_R	187_S	1.867	1.00
217_I	342_F	1.865	1.00
155_F	161_I	1.850	1.00
194_V	207_L	1.794	1.00
327_L	351_Y	1.792	1.00
282_D	357_G	1.789	1.00
274_V	359_R	1.765	1.00
49_S	230_L	1.742	1.00
298_L	324_V	1.741	1.00
240_G	268_A	1.740	1.00
38_A	42_A	1.722	1.00
265_S	363_A	1.714	1.00
107_N	223_D	1.707	1.00
298_L	305_E	1.698	1.00
266_D	270_K	1.688	1.00
351_Y	355_G	1.688	1.00
222_A	226_V	1.688	1.00
222_A	227_A	1.674	1.00
149_G	201_V	1.671	1.00
107_N	226_V	1.641	1.00
281_F	284_V	1.627	1.00
223_D	226_V	1.619	1.00
193_D	196_K	1.607	1.00
158_R	255_L	1.596	1.00
274_V	281_F	1.593	1.00
31_V	72_A	1.584	1.00
219_I	342_F	1.571	1.00
97_A	221_V	1.563	1.00
99_M	105_V	1.560	1.00
81_R	96_H	1.555	1.00
100_H	106_A	1.552	1.00
35_A	72_A	1.547	1.00
168_L	172_K	1.541	1.00
12_G	42_A	1.538	1.00
178_L	182_R	1.538	1.00
29_E	75_Q	1.536	1.00
9_A	237_V	1.522	1.00
116_K	119_D	1.517	1.00
55_I	112_E	1.515	1.00
171_E	175_K	1.515	1.00
284_V	361_V	1.494	1.00
263_I	266_D	1.489	1.00
281_F	375_V	1.486	1.00
108_V	226_V	1.474	1.00
34_A	218_V	1.472	1.00
175_K	188_N	1.467	1.00
37_R	41_D	1.467	1.00
283_A	351_Y	1.461	1.00
274_V	375_V	1.450	1.00
172_K	305_E	1.450	1.00
351_Y	354_Q	1.446	1.00
36_S	40_K	1.433	1.00
6_N	223_D	1.427	1.00
168_L	191_A	1.402	1.00
95_A	374_S	1.393	1.00
175_K	179_S	1.385	1.00
345_L	376_V	1.381	1.00
12_G	38_A	1.375	1.00
242_G	268_A	1.368	1.00
242_G	267_M	1.365	1.00
267_M	270_K	1.363	1.00
358_E	377_V	1.344	1.00
34_A	216_A	1.343	1.00
18_F	339_A	1.329	1.00
153_V	202_Y	1.319	1.00
239_K	377_V	1.313	1.00
361_V	375_V	1.298	1.00
25_V	33_E	1.296	1.00
88_G	372_T	1.291	1.00
178_L	188_N	1.284	1.00
349_I	353_K	1.270	1.00
264_A	373_G	1.259	1.00
304_S	323_P	1.258	1.00
165_D	168_L	1.256	1.00
161_I	166_L	1.252	1.00
94_L	219_I	1.237	1.00
225_E	229_K	1.236	1.00
266_D	300_G	1.236	1.00
8_I	221_V	1.231	1.00
95_A	241_I	1.225	1.00
51_V	106_A	1.216	1.00
110_S	220_V	1.214	1.00
346_L	350_E	1.213	1.00
326_P	351_Y	1.211	1.00
57_C	60_D	1.208	1.00
32_F	75_Q	1.201	1.00
55_I	218_V	1.199	1.00
88_G	366_R	1.171	1.00
255_L	258_A	1.167	1.00
163_R	205_S	1.166	1.00
150_L	202_Y	1.162	1.00
244_A	263_I	1.161	1.00
9_A	224_E	1.156	1.00
18_F	333_K	1.154	1.00
33_E	37_R	1.143	1.00
13_L	350_E	1.140	1.00
50_D	108_V	1.139	1.00
169_V	294_E	1.137	1.00
91_L	345_L	1.131	1.00
178_L	187_S	1.131	1.00
275_E	280_Y	1.131	1.00
189_I	194_V	1.130	1.00
149_G	200_V	1.108	1.00
265_S	361_V	1.104	1.00
56_S	89_D	1.102	1.00
281_F	359_R	1.102	1.00
240_G	271_M	1.099	1.00
169_V	295_L	1.096	1.00
181_P	186_A	1.095	1.00
9_A	222_A	1.093	1.00
123_F	133_P	1.093	1.00
42_A	45_I	1.091	1.00
13_L	349_I	1.087	1.00
135_Y	140_N	1.081	1.00
190_S	193_D	1.078	1.00
282_D	323_P	1.072	1.00
154_K	158_R	1.069	1.00
54_F	109_V	1.069	1.00
97_A	111_I	1.068	1.00
6_N	107_N	1.066	1.00
94_L	221_V	1.066	1.00
283_A	355_G	1.062	1.00
238_V	374_S	1.062	1.00
49_S	226_V	1.062	1.00
35_A	78_G	1.054	1.00
343_S	347_D	1.053	1.00
105_V	271_M	1.053	1.00
12_G	41_D	1.053	1.00
246_D	258_A	1.052	1.00
272_A	375_V	1.047	1.00
92_Q	96_H	1.045	1.00
51_V	107_N	1.039	1.00
282_D	352_I	1.036	1.00
14_G	37_R	1.036	1.00
171_E	194_V	1.036	1.00
102_N	105_V	1.025	1.00
10_I	376_V	1.024	1.00
191_A	195_M	1.017	1.00
161_I	295_L	1.016	1.00
348_A	362_V	1.014	1.00
258_A	261_M	1.010	1.00
197_K	207_L	1.000	1.00
326_P	355_G	0.986	1.00
359_R	377_V	0.983	1.00
39_Y	78_G	0.983	1.00
303_V	324_V	0.977	1.00
99_M	103_S	0.975	1.00
175_K	178_L	0.973	1.00
34_A	37_R	0.965	1.00
49_S	229_K	0.963	1.00
159_K	258_A	0.962	1.00
11_I	232_K	0.956	1.00
244_A	267_M	0.955	1.00
53_S	73_P	0.955	1.00
18_F	213_V	0.953	1.00
153_V	157_H	0.952	1.00
281_F	361_V	0.950	1.00
16_Y	34_A	0.949	1.00
239_K	359_R	0.947	1.00
284_V	303_V	0.934	1.00
222_A	232_K	0.934	1.00
26_S	29_E	0.933	1.00
261_M	300_G	0.930	1.00
217_I	339_A	0.928	1.00
32_F	36_S	0.924	1.00
7_R	102_N	0.919	1.00
164_E	195_M	0.917	1.00
16_Y	33_E	0.913	1.00
240_G	375_V	0.910	1.00
197_K	205_S	0.909	1.00
198_N	206_E	0.907	1.00
17_G	33_E	0.906	1.00
224_E	237_V	0.905	1.00
171_E	188_N	0.902	1.00
38_A	110_S	0.902	1.00
158_R	249_N	0.901	1.00
98_A	238_V	0.890	1.00
258_A	300_G	0.889	1.00
283_A	348_A	0.880	1.00
235_Y	349_I	0.879	1.00
327_L	354_Q	0.874	1.00
286_V	363_A	0.870	1.00
265_S	301_L	0.867	1.00
172_K	306_E	0.867	1.00
267_M	271_M	0.867	1.00
217_I	346_L	0.867	1.00
156_M	292_Y	0.866	1.00
8_I	223_D	0.864	1.00
16_Y	30_M	0.862	1.00
135_Y	138_S	0.861	1.00
155_F	258_A	0.859	1.00
18_F	343_S	0.858	1.00
167_A	208_D	0.856	1.00
183_A	354_Q	0.851	1.00
39_Y	45_I	0.845	1.00
344_L	362_V	0.844	1.00
98_A	102_N	0.844	1.00
291_S	331_M	0.842	1.00
133_P	136_I	0.838	1.00
136_I	140_N	0.837	1.00
54_F	93_G	0.837	1.00
73_P	78_G	0.836	1.00
34_A	38_A	0.833	1.00
258_A	296_Q	0.833	1.00
330_H	340_S	0.831	1.00
224_E	227_A	0.830	1.00
298_L	303_V	0.830	1.00
111_I	219_I	0.827	1.00
345_L	374_S	0.826	1.00
13_L	219_I	0.824	1.00
93_G	342_F	0.823	1.00
85_T	92_Q	0.823	1.00
238_V	241_I	0.822	1.00
159_K	300_G	0.821	1.00
54_F	81_R	0.819	1.00
51_V	267_M	0.818	1.00
154_K	157_H	0.815	1.00
189_I	193_D	0.813	1.00
265_S	373_G	0.813	1.00
100_H	105_V	0.810	1.00
31_V	112_E	0.809	1.00
152_A	292_Y	0.806	1.00
133_P	138_S	0.804	1.00
199_Y	202_Y	0.802	1.00
281_F	366_R	0.801	1.00
155_F	296_Q	0.801	1.00
225_E	228_K	0.800	1.00
54_F	97_A	0.799	1.00
110_S	218_V	0.799	1.00
134_I	138_S	0.794	1.00
105_V	241_I	0.793	1.00
359_R	375_V	0.790	1.00
294_E	298_L	0.788	1.00
14_G	34_A	0.786	1.00
8_I	98_A	0.786	1.00
246_D	263_I	0.785	1.00
348_A	367_G	0.782	1.00
208_D	291_S	0.780	1.00
274_V	280_Y	0.779	1.00
150_L	154_K	0.778	1.00
52_D	100_H	0.772	1.00
349_I	376_V	0.772	1.00
181_P	187_S	0.771	1.00
91_L	374_S	0.768	1.00
327_L	355_G	0.768	1.00
27_F	114_H	0.763	1.00
269_Y	274_V	0.756	1.00
366_R	372_T	0.754	1.00
39_Y	50_D	0.750	1.00
25_V	29_E	0.749	1.00
49_S	108_V	0.746	1.00
164_E	191_A	0.746	1.00
176_A	179_S	0.744	1.00
52_D	243_F	0.742	1.00
233_D	353_K	0.740	1.00
266_D	301_L	0.739	1.00
134_I	137_R	0.737	1.00
38_A	218_V	0.736	1.00
8_I	102_N	0.736	1.00
165_D	295_L	0.735	1.00
174_K	188_N	0.734	1.00
96_H	100_H	0.734	1.00
68_A	114_H	0.732	1.00
286_V	297_H	0.729	1.00
274_V	366_R	0.729	1.00
63_E	119_D	0.729	1.00
28_R	63_E	0.726	1.00
51_V	109_V	0.726	1.00
189_I	207_L	0.725	1.00
67_I	70_E	0.720	1.00
36_S	47_P	0.719	1.00
171_E	193_D	0.718	1.00
246_D	259_N	0.716	1.00
127_E	130_A	0.716	1.00
177_G	332_A	0.715	1.00
96_H	99_M	0.714	1.00
131_M	136_I	0.713	1.00
10_I	349_I	0.712	1.00
50_D	110_S	0.711	1.00
122_T	127_E	0.711	1.00
118_S	214_D	0.711	1.00
151_D	256_G	0.709	1.00
268_A	361_V	0.708	1.00
356_K	359_R	0.708	1.00
8_I	101_I	0.706	1.00
265_S	286_V	0.706	1.00
192_V	196_K	0.705	1.00
78_G	110_S	0.703	1.00
26_S	119_D	0.703	1.00
235_Y	350_E	0.701	1.00
177_G	181_P	0.696	1.00
279_R	323_P	0.694	1.00
171_E	190_S	0.690	1.00
171_E	189_I	0.687	1.00
6_N	102_N	0.686	1.00
33_E	36_S	0.683	1.00
239_K	272_A	0.683	1.00
179_S	182_R	0.680	1.00
14_G	38_A	0.678	1.00
174_K	331_M	0.678	1.00
25_V	119_D	0.676	1.00
296_Q	300_G	0.675	1.00
19_K	22_T	0.673	1.00
126_L	130_A	0.672	1.00
99_M	102_N	0.670	1.00
35_A	76_M	0.667	1.00
35_A	218_V	0.663	1.00
167_A	195_M	0.663	1.00
279_R	302_R	0.662	1.00
135_Y	147_I	0.661	1.00
58_Q	337_L	0.660	1.00
55_I	72_A	0.660	1.00
352_I	360_A	0.657	1.00
249_N	255_L	0.655	1.00
55_I	69_D	0.653	1.00
235_Y	239_K	0.653	1.00
42_A	220_V	0.653	1.00
107_N	271_M	0.653	1.00
9_A	226_V	0.652	1.00
95_A	372_T	0.652	1.00
247_S	255_L	0.650	1.00
222_A	230_L	0.647	1.00
85_T	243_F	0.646	0.99
100_H	109_V	0.644	0.99
52_D	85_T	0.643	0.99
54_F	96_H	0.643	0.99
147_I	150_L	0.643	0.99
219_I	346_L	0.642	0.99
57_C	63_E	0.642	0.99
11_I	227_A	0.642	0.99
200_V	206_E	0.639	0.99
333_K	343_S	0.639	0.99
270_K	275_E	0.638	0.99
256_G	259_N	0.638	0.99
97_A	106_A	0.637	0.99
188_N	193_D	0.635	0.99
67_I	114_H	0.635	0.99
152_A	156_M	0.635	0.99
108_V	230_L	0.634	0.99
366_R	370_T	0.631	0.99
294_E	324_V	0.631	0.99
107_N	229_K	0.630	0.99
161_I	165_D	0.630	0.99
31_V	114_H	0.629	0.99
261_M	266_D	0.626	0.99
39_Y	43_G	0.624	0.99
9_A	223_D	0.624	0.99
167_A	191_A	0.623	0.99
149_G	203_P	0.622	0.99
137_R	140_N	0.622	0.99
152_A	204_L	0.620	0.99
155_F	159_K	0.620	0.99
133_P	137_R	0.620	0.99
178_L	181_P	0.620	0.99
29_E	32_F	0.619	0.99
72_A	114_H	0.619	0.99
53_S	110_S	0.617	0.99
131_M	134_I	0.615	0.99
204_L	209_I	0.614	0.99
340_S	344_L	0.614	0.99
242_G	271_M	0.614	0.99
191_A	194_V	0.612	0.99
36_S	77_G	0.610	0.99
47_P	79_A	0.610	0.99
39_Y	47_P	0.609	0.99
289_R	335_V	0.608	0.99
168_L	305_E	0.608	0.99
28_R	75_Q	0.607	0.99
91_L	362_V	0.606	0.99
293_K	297_H	0.606	0.99
146_F	150_L	0.606	0.99
83_T	96_H	0.604	0.99
81_R	92_Q	0.601	0.99
117_V	337_L	0.599	0.99
76_M	79_A	0.599	0.99
282_D	359_R	0.598	0.99
25_V	116_K	0.598	0.99
284_V	363_A	0.597	0.99
122_T	126_L	0.597	0.99
174_K	178_L	0.596	0.99
348_A	369_P	0.596	0.99
339_A	342_F	0.596	0.99
12_G	235_Y	0.592	0.99
112_E	218_V	0.591	0.99
265_S	269_Y	0.590	0.99
170_V	291_S	0.589	0.99
177_G	333_K	0.588	0.99
266_D	302_R	0.586	0.99
10_I	221_V	0.585	0.99
333_K	347_D	0.585	0.99
94_L	342_F	0.585	0.99
11_I	226_V	0.584	0.99
102_N	241_I	0.581	0.99
94_L	111_I	0.581	0.99
264_A	268_A	0.581	0.99
221_V	238_V	0.580	0.99
239_K	274_V	0.578	0.99
35_A	39_Y	0.578	0.99
269_Y	272_A	0.577	0.99
238_V	376_V	0.577	0.99
146_F	249_N	0.576	0.99
172_K	294_E	0.575	0.99
265_S	297_H	0.574	0.99
298_L	304_S	0.572	0.99
243_F	372_T	0.572	0.99
131_M	140_N	0.570	0.99
50_D	78_G	0.569	0.99
140_N	145_H	0.569	0.99
132_D	137_R	0.567	0.99
39_Y	42_A	0.565	0.99
132_D	138_S	0.563	0.99
282_D	358_E	0.563	0.99
176_A	305_E	0.561	0.99
360_A	376_V	0.561	0.99
32_F	76_M	0.558	0.99
36_S	76_M	0.556	0.99
9_A	230_L	0.555	0.98
146_F	154_K	0.553	0.98
52_D	106_A	0.553	0.98
361_V	364_S	0.553	0.98
236_L	352_I	0.552	0.98
268_A	281_F	0.552	0.98
295_L	299_E	0.552	0.98
89_D	338_E	0.551	0.98
292_Y	296_Q	0.551	0.98
60_D	82_P	0.550	0.98
161_I	299_E	0.550	0.98
174_K	211_P	0.547	0.98
93_G	111_I	0.546	0.98
92_Q	95_A	0.546	0.98
329_G	332_A	0.545	0.98
45_I	220_V	0.544	0.98
66_S	69_D	0.542	0.98
263_I	267_M	0.542	0.98
132_D	139_I	0.541	0.98
159_K	296_Q	0.541	0.98
345_L	362_V	0.541	0.98
183_A	327_L	0.540	0.98
14_G	42_A	0.540	0.98
70_E	74_D	0.538	0.98
342_F	346_L	0.538	0.98
289_R	293_K	0.538	0.98
92_Q	243_F	0.537	0.98
24_E	119_D	0.537	0.98
35_A	53_S	0.535	0.98
159_K	255_L	0.533	0.98
92_Q	100_H	0.533	0.98
353_K	356_K	0.533	0.98
111_I	342_F	0.533	0.98
192_V	195_M	0.530	0.98
61_F	65_I	0.530	0.98
73_P	76_M	0.529	0.98
255_L	259_N	0.528	0.98
170_V	194_V	0.525	0.98
22_T	25_V	0.524	0.98
52_D	109_V	0.524	0.98
156_M	161_I	0.520	0.98
357_G	360_A	0.520	0.98
170_V	174_K	0.519	0.98
286_V	294_E	0.518	0.98
100_H	103_S	0.517	0.98
7_R	377_V	0.517	0.98
339_A	343_S	0.517	0.98
169_V	329_G	0.514	0.98
11_I	108_V	0.513	0.97
107_N	225_E	0.511	0.97
284_V	323_P	0.510	0.97
58_Q	86_V	0.510	0.97
269_Y	281_F	0.509	0.97
155_F	292_Y	0.508	0.97
184_S	213_V	0.508	0.97
23_H	129_F	0.506	0.97
189_I	192_V	0.505	0.97
132_D	136_I	0.505	0.97
178_L	186_A	0.504	0.97
72_A	76_M	0.504	0.97
242_G	272_A	0.503	0.97
132_D	135_Y	0.503	0.97
148_A	151_D	0.502	0.97
280_Y	359_R	0.500	0.97

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
3zbgA	2	0.9711	100	0.248	Contact Map
4u4eA	1	0.895	100	0.3	Contact Map
2wu9A	2	0.9239	100	0.312	Contact Map
1wdkC	2	0.9213	100	0.315	Contact Map
1ulqA	4	0.9213	100	0.316	Contact Map
1wl4A	4	0.916	100	0.32	Contact Map
3svkA	2	0.8268	100	0.323	Contact Map
1afwA	2	0.9186	100	0.325	Contact Map
4e1lA	4	0.9081	100	0.326	Contact Map
2vu1A	4	0.916	100	0.327	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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