PAAG - ECOLI - GREMLIN Contacts

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PAAG - 1,2-epoxyphenylacetyl-CoA isomerase

UniProt:	P77467	Sequences: MMEFILSHVEKGVMTLTLNRPERLNSFNDEMHAQLAECLKQVERDDTIRCLLLTGAGRGFCAGQDLNDRNVDPTGPAPDLGMSVERFYNPLVRRLAKLPKPVICAVNGVAAGAGATLALGGDIVIAARSAKFVMAFSKLGLIPDCGGTWLLPRVAGRARAMGLALLGNQLSAEQAHEWGMIWQVVDDETLADTAQQLARHLATQPTFGLGLIKQAINSAETNTLDTQLDLERDYQRLAGRSADYREGVSAFLAKRSPQFTGK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13741
Length:	262 (246)
Sequences:	30270 (19558)
Seq/√Len:	1246.9

ECOLI - PAAG CAID PAAF MENB SCPB FADB FADJ
BACSU - YNGF FADB MENB YHAR PKSH PKSI FADN
HALSA - Q9HS32 Q9HQN4 Q9HQ61 Q9HNM6
SULSO - Q97YL2 Q97WU7 Q7LXQ1 Q97VK0 Q97VK1 Q97VS6 Q97VU5 Q980Z9

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
131_K	169_Q	3.159	1.00
126_A	181_I	2.934	1.00
183_Q	193_T	2.905	1.00
104_C	121_G	2.848	1.00
128_R	186_D	2.767	1.00
193_T	196_Q	2.653	1.00
15_T	195_Q	2.653	1.00
40_K	94_R	2.453	1.00
43_E	99_P	2.362	1.00
168_N	200_H	2.191	1.00
129_S	187_D	2.172	1.00
174_Q	177_E	2.140	1.00
15_T	54_T	2.110	1.00
9_V	14_M	2.108	1.00
24_L	58_R	2.039	1.00
6_L	19_N	2.034	1.00
36_A	94_R	2.025	1.00
171_S	174_Q	2.020	1.00
12_G	49_R	2.012	1.00
17_T	56_A	2.002	1.00
223_T	226_T	1.992	1.00
159_R	178_W	1.952	1.00
162_G	168_N	1.950	1.00
105_A	194_A	1.947	1.00
24_L	59_G	1.940	1.00
249_S	253_A	1.934	1.00
164_A	212_I	1.930	1.00
138_K	204_Q	1.907	1.00
17_T	54_T	1.902	1.00
19_N	56_A	1.889	1.00
105_A	191_A	1.859	1.00
7_S	14_M	1.856	1.00
9_V	45_D	1.854	1.00
30_E	34_Q	1.799	1.00
41_Q	45_D	1.779	1.00
111_A	133_V	1.762	1.00
14_M	48_I	1.745	1.00
195_Q	199_R	1.716	1.00
128_R	173_E	1.704	1.00
125_I	185_V	1.703	1.00
161_M	217_N	1.693	1.00
14_M	42_V	1.672	1.00
157_R	161_M	1.666	1.00
189_T	192_D	1.652	1.00
174_Q	178_W	1.602	1.00
246_E	255_R	1.600	1.00
185_V	193_T	1.598	1.00
51_L	98_L	1.563	1.00
125_I	197_L	1.558	1.00
162_G	182_W	1.545	1.00
173_E	177_E	1.537	1.00
33_A	87_F	1.525	1.00
126_A	132_F	1.517	1.00
10_E	195_Q	1.514	1.00
93_R	97_K	1.500	1.00
189_T	193_T	1.498	1.00
43_E	94_R	1.492	1.00
42_V	51_L	1.489	1.00
162_G	183_Q	1.480	1.00
16_L	38_C	1.474	1.00
128_R	187_D	1.467	1.00
106_V	118_A	1.466	1.00
161_M	165_L	1.435	1.00
36_A	40_K	1.435	1.00
127_A	187_D	1.418	1.00
6_L	56_A	1.412	1.00
124_V	158_A	1.412	1.00
93_R	225_D	1.383	1.00
211_L	237_L	1.381	1.00
118_A	124_V	1.368	1.00
107_N	127_A	1.351	1.00
11_K	199_R	1.350	1.00
176_H	184_V	1.345	1.00
124_V	154_V	1.342	1.00
122_D	213_K	1.339	1.00
50_C	198_A	1.325	1.00
115_A	134_M	1.315	1.00
39_L	98_L	1.314	1.00
107_N	129_S	1.314	1.00
7_S	42_V	1.312	1.00
10_E	15_T	1.308	1.00
59_G	109_V	1.304	1.00
163_L	170_L	1.301	1.00
15_T	191_A	1.291	1.00
159_R	162_G	1.287	1.00
106_V	110_A	1.281	1.00
36_A	90_P	1.275	1.00
95_L	102_V	1.274	1.00
54_T	191_A	1.272	1.00
43_E	98_L	1.272	1.00
109_V	131_K	1.271	1.00
20_R	23_R	1.262	1.00
10_E	199_R	1.259	1.00
161_M	216_I	1.254	1.00
158_A	182_W	1.254	1.00
96_A	150_L	1.249	1.00
222_N	226_T	1.223	1.00
133_V	169_Q	1.221	1.00
34_Q	38_C	1.219	1.00
168_N	174_Q	1.216	1.00
218_S	230_L	1.192	1.00
29_D	68_D	1.177	1.00
191_A	195_Q	1.176	1.00
159_R	174_Q	1.173	1.00
28_N	31_M	1.156	1.00
8_H	17_T	1.148	1.00
9_V	47_T	1.147	1.00
192_D	196_Q	1.138	1.00
29_D	33_A	1.131	1.00
54_T	107_N	1.128	1.00
244_Y	248_V	1.118	1.00
170_L	178_W	1.117	1.00
18_L	31_M	1.117	1.00
58_R	107_N	1.116	1.00
38_C	41_Q	1.106	1.00
214_Q	218_S	1.106	1.00
97_K	225_D	1.103	1.00
204_Q	209_L	1.099	1.00
190_L	194_A	1.089	1.00
8_H	15_T	1.080	1.00
23_R	67_N	1.080	1.00
6_L	17_T	1.068	1.00
186_D	189_T	1.063	1.00
54_T	105_A	1.062	1.00
207_F	243_D	1.061	1.00
34_Q	37_E	1.060	1.00
127_A	190_L	1.060	1.00
137_S	167_G	1.054	1.00
102_V	121_G	1.052	1.00
116_T	147_G	1.042	1.00
155_A	159_R	1.034	1.00
191_A	194_A	1.031	1.00
222_N	230_L	1.026	1.00
51_L	102_V	1.021	1.00
172_A	184_V	1.020	1.00
51_L	100_K	1.015	1.00
173_E	176_H	1.012	1.00
154_V	158_A	1.008	1.00
18_L	61_C	1.007	1.00
9_V	41_Q	1.003	1.00
157_R	220_E	1.001	1.00
123_I	197_L	0.985	1.00
156_G	159_R	0.985	1.00
245_R	249_S	0.984	1.00
99_P	210_G	0.982	1.00
37_E	41_Q	0.980	1.00
211_L	214_Q	0.977	1.00
13_V	50_C	0.967	1.00
52_L	194_A	0.962	1.00
198_A	202_A	0.960	1.00
214_Q	234_Y	0.950	1.00
61_C	114_G	0.948	1.00
206_T	210_G	0.941	1.00
211_L	234_Y	0.936	1.00
88_Y	145_C	0.930	1.00
105_A	190_L	0.929	1.00
115_A	132_F	0.926	1.00
131_K	171_S	0.922	1.00
36_A	87_F	0.920	1.00
111_A	169_Q	0.905	1.00
82_M	86_R	0.900	1.00
48_I	100_K	0.897	1.00
142_I	238_A	0.889	1.00
230_L	233_D	0.886	1.00
176_H	183_Q	0.884	1.00
29_D	87_F	0.880	1.00
20_R	65_D	0.879	1.00
226_T	229_D	0.877	1.00
24_L	62_A	0.870	1.00
193_T	197_L	0.861	1.00
128_R	184_V	0.860	1.00
9_V	48_I	0.855	1.00
176_H	181_I	0.852	1.00
230_L	234_Y	0.852	1.00
163_L	178_W	0.847	1.00
194_A	198_A	0.847	1.00
32_H	91_L	0.840	1.00
137_S	212_I	0.835	1.00
127_A	188_E	0.832	1.00
16_L	51_L	0.832	1.00
15_T	52_L	0.831	1.00
107_N	190_L	0.825	1.00
164_A	216_I	0.818	1.00
183_Q	197_L	0.815	1.00
149_W	227_Q	0.813	1.00
106_V	132_F	0.812	1.00
39_L	95_L	0.812	1.00
200_H	204_Q	0.809	1.00
162_G	166_L	0.804	1.00
67_N	252_L	0.801	1.00
40_K	44_R	0.801	1.00
192_D	195_Q	0.797	1.00
138_K	169_Q	0.793	1.00
43_E	100_K	0.790	1.00
196_Q	200_H	0.788	1.00
53_L	121_G	0.787	1.00
234_Y	237_L	0.786	1.00
195_Q	198_A	0.783	1.00
211_L	238_A	0.781	1.00
33_A	37_E	0.773	1.00
40_K	90_P	0.771	1.00
155_A	163_L	0.771	1.00
242_A	245_R	0.770	1.00
123_I	182_W	0.762	1.00
36_A	91_L	0.762	1.00
86_R	232_R	0.761	1.00
27_F	31_M	0.751	1.00
57_G	107_N	0.751	1.00
175_A	180_M	0.749	1.00
106_V	124_V	0.743	1.00
92_V	120_G	0.742	1.00
157_R	217_N	0.741	1.00
107_N	187_D	0.740	1.00
125_I	183_Q	0.738	1.00
149_W	152_P	0.734	1.00
172_A	181_I	0.730	1.00
119_L	180_M	0.726	1.00
156_G	160_A	0.726	1.00
151_L	155_A	0.724	1.00
148_T	231_E	0.723	1.00
7_S	38_C	0.718	1.00
218_S	222_N	0.717	1.00
46_D	100_K	0.713	1.00
99_P	214_Q	0.708	1.00
224_L	228_L	0.707	1.00
98_L	102_V	0.707	1.00
20_R	28_N	0.706	1.00
215_A	234_Y	0.705	1.00
201_L	209_L	0.704	1.00
86_R	90_P	0.701	1.00
24_L	109_V	0.700	1.00
42_V	48_I	0.700	1.00
205_P	243_D	0.700	1.00
199_R	203_T	0.698	1.00
197_L	200_H	0.696	1.00
70_N	249_S	0.696	1.00
166_L	197_L	0.689	1.00
30_E	33_A	0.689	1.00
28_N	68_D	0.687	1.00
103_I	198_A	0.686	1.00
132_F	181_I	0.686	1.00
31_M	34_Q	0.685	1.00
196_Q	199_R	0.684	1.00
49_R	206_T	0.682	1.00
229_D	233_D	0.680	1.00
207_F	241_S	0.678	1.00
52_L	105_A	0.676	1.00
59_G	107_N	0.675	1.00
40_K	43_E	0.674	1.00
82_M	233_D	0.674	1.00
50_C	202_A	0.672	1.00
159_R	176_H	0.668	1.00
45_D	48_I	0.667	1.00
106_V	130_A	0.667	1.00
38_C	42_V	0.667	1.00
248_V	252_L	0.664	1.00
246_E	250_A	0.661	1.00
142_I	215_A	0.655	1.00
13_V	52_L	0.654	1.00
83_S	87_F	0.653	1.00
13_V	195_Q	0.651	1.00
12_G	47_T	0.648	1.00
90_P	94_R	0.648	1.00
232_R	236_R	0.645	1.00
109_V	169_Q	0.644	1.00
170_L	175_A	0.640	1.00
7_S	41_Q	0.640	1.00
50_C	103_I	0.639	1.00
53_L	102_V	0.639	1.00
49_R	202_A	0.638	1.00
242_A	246_E	0.636	1.00
215_A	230_L	0.636	1.00
20_R	26_S	0.636	1.00
111_A	135_A	0.628	1.00
181_I	184_V	0.626	1.00
52_L	195_Q	0.626	1.00
82_M	236_R	0.625	1.00
173_E	184_V	0.624	1.00
90_P	93_R	0.622	1.00
249_S	252_L	0.618	1.00
23_R	65_D	0.617	1.00
126_A	130_A	0.616	1.00
207_F	238_A	0.615	1.00
185_V	190_L	0.615	1.00
104_C	124_V	0.614	1.00
13_V	198_A	0.611	1.00
149_W	153_R	0.610	1.00
80_L	83_S	0.609	1.00
116_T	136_F	0.608	1.00
37_E	40_K	0.607	1.00
73_P	80_L	0.605	1.00
148_T	227_Q	0.601	1.00
45_D	100_K	0.598	1.00
162_G	174_Q	0.595	1.00
212_I	215_A	0.592	1.00
155_A	160_A	0.591	1.00
233_D	237_L	0.591	1.00
134_M	147_G	0.587	1.00
225_D	229_D	0.587	1.00
118_A	121_G	0.585	1.00
7_S	16_L	0.581	1.00
125_I	190_L	0.581	1.00
104_C	118_A	0.580	1.00
165_L	209_L	0.579	1.00
246_E	249_S	0.579	1.00
133_V	167_G	0.578	1.00
157_R	216_I	0.577	1.00
166_L	201_L	0.576	1.00
129_S	172_A	0.576	1.00
39_L	102_V	0.575	1.00
189_T	196_Q	0.575	1.00
206_T	209_L	0.575	1.00
200_H	203_T	0.574	1.00
125_I	194_A	0.574	1.00
70_N	252_L	0.572	1.00
166_L	200_H	0.572	1.00
143_P	212_I	0.571	1.00
159_R	177_E	0.570	1.00
16_L	53_L	0.569	1.00
35_L	91_L	0.567	1.00
64_Q	69_R	0.565	1.00
9_V	12_G	0.563	1.00
154_V	182_W	0.563	1.00
125_I	193_T	0.562	1.00
141_L	244_Y	0.562	1.00
32_H	36_A	0.560	1.00
229_D	232_R	0.560	1.00
134_M	164_A	0.559	1.00
115_A	180_M	0.558	1.00
16_L	42_V	0.553	1.00
98_L	101_P	0.549	1.00
39_L	94_R	0.546	1.00
124_V	181_I	0.545	1.00
123_I	201_L	0.540	1.00
214_Q	230_L	0.540	1.00
107_N	191_A	0.539	1.00
87_F	90_P	0.538	1.00
96_A	217_N	0.538	1.00
247_G	250_A	0.536	1.00
155_A	178_W	0.535	1.00
66_L	139_L	0.530	1.00
89_N	93_R	0.530	1.00
115_A	119_L	0.526	1.00
162_G	197_L	0.525	1.00
134_M	151_L	0.524	1.00
137_S	204_Q	0.524	1.00
153_R	223_T	0.523	1.00
112_G	135_A	0.523	1.00
153_R	220_E	0.522	1.00
30_E	68_D	0.521	1.00
27_F	113_A	0.520	1.00
222_N	227_Q	0.519	1.00
136_F	144_D	0.515	1.00
171_S	177_E	0.515	1.00
102_V	122_D	0.514	1.00
96_A	224_L	0.514	1.00
13_V	202_A	0.513	1.00
33_A	36_A	0.513	1.00
17_T	191_A	0.511	1.00
70_N	248_V	0.509	1.00
116_T	134_M	0.507	1.00
136_F	143_P	0.507	1.00
168_N	183_Q	0.506	1.00
172_A	176_H	0.506	1.00
137_S	209_L	0.504	1.00
175_A	181_I	0.503	1.00
152_P	219_A	0.503	1.00
42_V	100_K	0.501	1.00
48_I	51_L	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
3g64A	6	1	100	0.065	Contact Map
4jfcA	3	0.9809	100	0.068	Contact Map
4mi2A	3	0.9924	100	0.069	Contact Map
2ej5A	3	0.958	100	0.07	Contact Map
3qxzA	3	0.9809	100	0.07	Contact Map
1nzyA	4	1	100	0.071	Contact Map
4lk5A	3	0.9504	100	0.071	Contact Map
3sllA	6	0.9847	100	0.071	Contact Map
2fbmA	3	0.9542	100	0.072	Contact Map
3peaA	3	0.9809	100	0.073	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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