MENH - BACSU - GREMLIN Contacts

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MENH - Putative 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase

UniProt:	P23974	Sequences: MGTVNITVSDGVRYAVADEGPNASEAVVCLHGFTGSKQSWTFLDEMLPDSRLIKIDCLGHGETDAPLNGKRYSTTRQVSDLAEIFDQLKLHKVKLIGYSMGGRLAYSFAMTYPERVSALVLESTTPGLKTLGERRERIMRDRKLADFILRDGLEAFVAYWENIPLFSSQQRLAEDIRYRIRSGRLRNNKIGLANSLTGMGTGSQPSLWSRVEEIDVPVLLICGEWDEKFCAINQEVHKMLPSSRIEIVPKAGHTVHVEQPRLFGKIVSEFLTSI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	274 (255)
Sequences:	62063 (51720)
Seq/√Len:	3238.8

ECOLI - MHPC RUTD PLDB BIOH MENH YBFF YCJY YFHR
BACSU - MENH YUGF YFHM YDJP YBFK NAP YBDG RSBQ YCGS YISY YRAK YCLE YVAM YBAC PLBAC YQJL EST YQKD
HALSA - Q9HPT9 Q9HHP4 Q9HRJ0
SULSO - PIP Q7LXY9 Q97WG0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
18_D	51_R	4.773	1.00
94_K	118_A	4.276	1.00
58_L	80_D	3.521	1.00
43_L	264_G	3.008	1.00
82_A	108_F	2.903	1.00
259_Q	262_L	2.818	1.00
224_E	249_P	2.731	1.00
94_K	117_S	2.706	1.00
246_E	266_I	2.653	1.00
123_S	226_D	2.565	1.00
92_K	117_S	2.546	1.00
219_L	270_F	2.450	1.00
122_E	263_F	2.413	1.00
248_V	266_I	2.303	1.00
13_R	64_D	2.246	1.00
17_A	37_K	2.173	1.00
82_A	86_D	2.156	1.00
82_A	115_R	2.108	1.00
108_F	112_Y	2.094	1.00
82_A	112_Y	2.081	1.00
85_F	93_V	2.056	1.00
224_E	247_I	2.034	1.00
95_L	105_A	2.013	1.00
15_A	62_E	1.944	1.00
86_D	115_R	1.925	1.00
102_G	124_T	1.915	1.00
16_V	84_I	1.861	1.00
107_S	111_T	1.858	1.00
49_D	268_S	1.854	1.00
46_M	264_G	1.837	1.00
251_A	259_Q	1.831	1.00
94_K	271_L	1.811	1.00
26_A	53_I	1.809	1.00
237_H	243_S	1.803	1.00
18_D	53_I	1.794	1.00
79_S	111_T	1.793	1.00
26_A	90_L	1.785	1.00
19_E	54_K	1.745	1.00
109_A	119_L	1.719	1.00
231_A	247_I	1.715	1.00
26_A	51_R	1.673	1.00
219_L	246_E	1.656	1.00
15_A	37_K	1.655	1.00
266_I	269_E	1.640	1.00
94_K	120_V	1.621	1.00
50_S	94_K	1.609	1.00
31_H	57_C	1.593	1.00
75_T	111_T	1.581	1.00
25_E	94_K	1.581	1.00
31_H	60_H	1.570	1.00
25_E	117_S	1.565	1.00
57_C	104_L	1.564	1.00
35_G	39_S	1.563	1.00
218_V	240_L	1.546	1.00
235_E	239_M	1.544	1.00
105_A	119_L	1.522	1.00
78_V	107_S	1.504	1.00
30_L	81_L	1.503	1.00
55_I	81_L	1.497	1.00
30_L	57_C	1.483	1.00
112_Y	115_R	1.471	1.00
108_F	116_V	1.470	1.00
15_A	56_D	1.443	1.00
73_S	76_R	1.421	1.00
265_K	269_E	1.404	1.00
81_L	108_F	1.388	1.00
196_L	199_M	1.376	1.00
37_K	56_D	1.366	1.00
46_M	268_S	1.336	1.00
30_L	105_A	1.326	1.00
120_V	267_V	1.324	1.00
107_S	110_M	1.308	1.00
34_T	60_H	1.303	1.00
222_C	233_N	1.302	1.00
53_I	84_I	1.300	1.00
86_D	112_Y	1.284	1.00
48_P	268_S	1.282	1.00
108_F	115_R	1.282	1.00
262_L	266_I	1.275	1.00
106_Y	121_L	1.273	1.00
19_E	44_D	1.272	1.00
210_R	213_E	1.271	1.00
98_Y	256_H	1.262	1.00
20_G	51_R	1.260	1.00
96_I	122_E	1.256	1.00
12_V	58_L	1.230	1.00
29_C	96_I	1.227	1.00
14_Y	80_D	1.226	1.00
29_C	52_L	1.221	1.00
99_S	253_H	1.220	1.00
173_A	176_I	1.218	1.00
121_L	124_T	1.218	1.00
37_K	62_E	1.208	1.00
262_L	265_K	1.203	1.00
44_D	54_K	1.201	1.00
27_V	50_S	1.181	1.00
231_A	234_Q	1.176	1.00
237_H	245_I	1.169	1.00
84_I	88_L	1.154	1.00
120_V	219_L	1.151	1.00
192_L	195_S	1.145	1.00
90_L	93_V	1.127	1.00
110_M	210_R	1.124	1.00
28_V	85_F	1.118	1.00
32_G	99_S	1.112	1.00
234_Q	238_K	1.106	1.00
195_S	198_G	1.100	1.00
222_C	247_I	1.087	1.00
93_V	116_V	1.087	1.00
221_I	248_V	1.077	1.00
46_M	261_R	1.072	1.00
212_E	239_M	1.069	1.00
240_L	243_S	1.069	1.00
219_L	244_R	1.069	1.00
30_L	95_L	1.064	1.00
222_C	245_I	1.051	1.00
224_E	250_K	1.044	1.00
263_F	267_V	1.042	1.00
248_V	251_A	1.042	1.00
21_P	51_R	1.039	1.00
188_N	191_G	1.031	1.00
34_T	99_S	1.026	1.00
222_C	231_A	1.024	1.00
37_K	54_K	1.016	1.00
96_I	267_V	1.015	1.00
75_T	107_S	1.014	1.00
244_R	266_I	1.009	1.00
16_V	88_L	1.003	1.00
235_E	238_K	1.001	1.00
55_I	84_I	0.999	1.00
246_E	269_E	0.989	1.00
78_V	104_L	0.982	1.00
118_A	217_P	0.976	1.00
261_R	265_K	0.974	1.00
252_G	258_E	0.973	1.00
85_F	108_F	0.971	1.00
98_Y	254_T	0.966	1.00
56_D	61_G	0.965	1.00
21_P	24_S	0.965	1.00
82_A	111_T	0.960	1.00
178_Y	181_R	0.956	1.00
39_S	256_H	0.956	1.00
248_V	262_L	0.955	1.00
97_G	105_A	0.954	1.00
42_F	45_E	0.950	1.00
50_S	271_L	0.949	1.00
152_G	155_A	0.944	1.00
191_G	194_N	0.944	1.00
82_A	85_F	0.942	1.00
179_R	183_G	0.936	1.00
178_Y	182_S	0.930	1.00
28_V	93_V	0.928	1.00
93_V	115_R	0.928	1.00
251_A	255_V	0.928	1.00
122_E	256_H	0.927	1.00
12_V	64_D	0.924	1.00
234_Q	245_I	0.912	1.00
14_Y	63_T	0.911	1.00
194_N	197_T	0.899	1.00
234_Q	237_H	0.899	1.00
195_S	199_M	0.894	1.00
144_L	148_I	0.892	1.00
83_E	87_Q	0.892	1.00
85_F	90_L	0.890	1.00
71_R	76_R	0.886	1.00
53_I	88_L	0.883	1.00
234_Q	247_I	0.882	1.00
190_I	193_A	0.880	1.00
142_R	146_D	0.879	1.00
221_I	266_I	0.870	1.00
122_E	255_V	0.869	1.00
76_R	79_S	0.869	1.00
26_A	50_S	0.865	1.00
83_E	86_D	0.861	1.00
25_E	92_K	0.860	1.00
27_V	96_I	0.860	1.00
41_T	54_K	0.853	1.00
190_I	194_N	0.849	1.00
179_R	182_S	0.848	1.00
97_G	102_G	0.846	1.00
24_S	51_R	0.845	1.00
174_E	178_Y	0.845	1.00
25_E	50_S	0.842	1.00
18_D	21_P	0.836	1.00
246_E	262_L	0.835	1.00
57_C	100_M	0.833	1.00
44_D	52_L	0.832	1.00
27_V	52_L	0.830	1.00
193_A	197_T	0.829	1.00
215_D	241_P	0.827	1.00
30_L	55_I	0.827	1.00
119_L	218_V	0.823	1.00
79_S	82_A	0.819	1.00
107_S	210_R	0.819	1.00
109_A	116_V	0.814	1.00
78_V	111_T	0.813	1.00
251_A	258_E	0.812	1.00
194_N	198_G	0.806	1.00
192_L	196_L	0.800	1.00
180_I	183_G	0.796	1.00
223_G	255_V	0.790	1.00
220_L	243_S	0.788	1.00
28_V	81_L	0.787	1.00
233_N	245_I	0.785	1.00
136_E	139_M	0.781	1.00
29_C	40_W	0.780	1.00
264_G	268_S	0.776	1.00
191_G	195_S	0.771	1.00
43_L	46_M	0.770	1.00
164_P	167_S	0.768	1.00
26_A	93_V	0.766	1.00
181_R	185_L	0.760	1.00
145_A	149_L	0.759	1.00
189_K	192_L	0.758	1.00
95_L	108_F	0.758	1.00
146_D	149_L	0.749	1.00
183_G	186_R	0.748	1.00
79_S	83_E	0.747	1.00
77_Q	100_M	0.746	1.00
248_V	259_Q	0.746	1.00
144_L	149_L	0.745	1.00
89_K	92_K	0.744	1.00
177_R	181_R	0.741	1.00
78_V	108_F	0.740	1.00
173_A	177_R	0.739	1.00
95_L	116_V	0.734	1.00
57_C	77_Q	0.734	1.00
37_K	55_I	0.733	1.00
33_F	100_M	0.729	1.00
250_K	259_Q	0.728	1.00
174_E	177_R	0.724	1.00
17_A	41_T	0.720	1.00
75_T	79_S	0.717	1.00
146_D	150_R	0.717	1.00
98_Y	123_S	0.716	1.00
56_D	62_E	0.710	1.00
224_E	231_A	0.708	1.00
38_Q	41_T	0.707	1.00
31_H	55_I	0.707	1.00
123_S	255_V	0.705	1.00
50_S	268_S	0.704	1.00
25_E	118_A	0.697	1.00
109_A	216_V	0.693	1.00
27_V	94_K	0.691	1.00
15_A	63_T	0.691	1.00
123_S	223_G	0.689	1.00
27_V	271_L	0.689	1.00
40_W	44_D	0.684	1.00
156_F	160_W	0.684	1.00
118_A	270_F	0.683	1.00
209_S	212_E	0.681	1.00
118_A	271_L	0.680	1.00
53_I	90_L	0.679	1.00
34_T	100_M	0.678	1.00
98_Y	122_E	0.673	1.00
43_L	47_L	0.672	1.00
41_T	45_E	0.671	1.00
120_V	271_L	0.670	1.00
153_L	156_F	0.667	1.00
265_K	268_S	0.665	1.00
106_Y	126_P	0.665	1.00
51_R	90_L	0.664	1.00
148_I	152_G	0.659	1.00
58_L	77_Q	0.658	1.00
260_P	264_G	0.657	1.00
187_N	190_I	0.653	1.00
188_N	192_L	0.651	1.00
93_V	117_S	0.649	1.00
14_Y	58_L	0.648	1.00
93_V	108_F	0.647	1.00
123_S	222_C	0.644	1.00
110_M	213_E	0.641	1.00
182_S	185_L	0.640	1.00
57_C	60_H	0.640	1.00
189_K	196_L	0.640	1.00
116_V	216_V	0.639	1.00
199_M	202_G	0.639	1.00
172_L	176_I	0.638	1.00
40_W	43_L	0.638	1.00
226_D	253_H	0.637	1.00
207_L	210_R	0.636	1.00
189_K	193_A	0.634	1.00
91_H	115_R	0.632	1.00
176_I	179_R	0.630	1.00
102_G	121_L	0.628	1.00
221_I	263_F	0.628	1.00
175_D	179_R	0.626	1.00
180_I	184_R	0.624	1.00
145_A	148_I	0.623	1.00
160_W	163_I	0.622	1.00
225_W	250_K	0.621	1.00
96_I	120_V	0.619	1.00
120_V	270_F	0.619	1.00
135_R	139_M	0.618	1.00
157_V	160_W	0.608	1.00
157_V	161_E	0.608	1.00
143_K	147_F	0.607	1.00
103_R	125_T	0.603	1.00
97_G	101_G	0.600	1.00
134_R	137_R	0.600	1.00
120_V	221_I	0.599	1.00
138_I	141_D	0.598	1.00
18_D	88_L	0.598	1.00
182_S	186_R	0.595	1.00
159_Y	162_N	0.594	1.00
161_E	164_P	0.594	1.00
43_L	263_F	0.594	1.00
154_E	158_A	0.593	1.00
28_V	95_L	0.593	1.00
19_E	45_E	0.590	1.00
244_R	269_E	0.584	1.00
220_L	233_N	0.583	1.00
158_A	162_N	0.582	1.00
159_Y	163_I	0.580	1.00
233_N	237_H	0.580	1.00
29_C	54_K	0.579	1.00
187_N	192_L	0.578	1.00
221_I	246_E	0.578	1.00
106_Y	124_T	0.573	1.00
143_K	146_D	0.572	1.00
133_E	137_R	0.571	1.00
175_D	178_Y	0.568	1.00
149_L	152_G	0.568	1.00
74_T	107_S	0.565	1.00
121_L	220_L	0.565	1.00
57_C	81_L	0.565	1.00
172_L	180_I	0.561	1.00
118_A	219_L	0.560	1.00
193_A	196_L	0.559	1.00
220_L	245_I	0.558	1.00
152_G	156_F	0.558	1.00
130_T	133_E	0.557	1.00
28_V	55_I	0.557	1.00
255_V	263_F	0.555	1.00
76_R	80_D	0.555	1.00
79_S	112_Y	0.553	1.00
192_L	199_M	0.552	1.00
27_V	47_L	0.552	1.00
166_F	169_Q	0.551	1.00
189_K	194_N	0.547	1.00
78_V	82_A	0.545	1.00
17_A	54_K	0.544	1.00
267_V	271_L	0.540	1.00
134_R	138_I	0.538	1.00
137_R	141_D	0.538	1.00
17_A	38_Q	0.537	1.00
142_R	145_A	0.537	1.00
164_P	168_S	0.536	1.00
33_F	99_S	0.536	1.00
77_Q	104_L	0.535	1.00
176_I	184_R	0.533	1.00
147_F	150_R	0.532	1.00
99_S	254_T	0.532	1.00
85_F	115_R	0.531	1.00
158_A	161_E	0.531	1.00
165_L	169_Q	0.529	1.00
35_G	254_T	0.526	1.00
29_C	47_L	0.525	1.00
144_L	147_F	0.524	1.00
39_S	98_Y	0.523	1.00
92_K	115_R	0.517	1.00
177_R	180_I	0.516	1.00
84_I	87_Q	0.515	1.00
162_N	166_F	0.515	1.00
30_L	104_L	0.514	1.00
161_E	166_F	0.514	1.00
122_E	221_I	0.513	1.00
220_L	237_H	0.512	1.00
206_S	210_R	0.509	1.00
264_G	269_E	0.507	1.00
208_W	239_M	0.505	1.00
193_A	198_G	0.505	1.00
32_G	98_Y	0.504	1.00
160_W	166_F	0.504	1.00
23_A	51_R	0.504	1.00
151_D	154_E	0.503	1.00
103_R	106_Y	0.503	1.00
256_H	263_F	0.503	1.00
38_Q	62_E	0.502	1.00
232_I	235_E	0.502	1.00
225_W	249_P	0.502	1.00
209_S	213_E	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
2xmzA	1	0.9599	100	0.163	Contact Map
1ehyA	1	0.9453	100	0.166	Contact Map
4inzA	1	0.9745	100	0.169	Contact Map
3om8A	4	0.9489	100	0.175	Contact Map
3oosA	1	0.9672	100	0.18	Contact Map
4psuA	1	0.9635	100	0.191	Contact Map
2xuaA	2	0.9343	100	0.196	Contact Map
2pujA	4	0.9745	100	0.202	Contact Map
3bwxA	1	0.9708	100	0.202	Contact Map
4ns4A	1	0.9234	100	0.207	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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