MENB - BACSU - GREMLIN Contacts

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MENB - 1,4-dihydroxy-2-naphthoyl-CoA synthase

UniProt:	P23966	Sequences: MAEWKTKRTYDEILYETYNGIAKITINRPEVHNAFTPKTVAEMIDAFADARDDQNVGVIVLAGAGDKAFCSGGDQKVRGHGGYVGDDQIPRLNVLDLQRLIRVIPKPVVAMVSGYAIGGGHVLHIVCDLTIAADNAIFGQTGPKVGSFDAGYGSGYLARIVGHKKAREIWYLCRQYNAQEALDMGLVNTVVPLEQLEEETIKWCEEMLEKSPTALRFLKAAFNADTDGLAGIQQFAGDATLLYYTTDEAKEGRDSFKEKRKPDFGQFPRFP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	271 (248)
Sequences:	30094 (19722)
Seq/√Len:	1252.3

ECOLI - MENB PAAG PAAF CAID SCPB FADJ FADB
BACSU - MENB FADB YNGF PKSH YHAR PKSI
HALSA - Q9HQN4 Q9HS32 Q9HQ61
SULSO - Q97WU7 Q97YL2 Q97VK0 Q7LXQ1 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
137_I	175_Q	3.183	1.00
189_T	199_E	2.964	1.00
132_A	187_V	2.919	1.00
134_D	192_P	2.833	1.00
110_A	127_C	2.812	1.00
199_E	202_K	2.678	1.00
23_K	201_I	2.635	1.00
48_A	100_L	2.480	1.00
51_R	105_P	2.394	1.00
135_N	193_L	2.325	1.00
174_R	206_E	2.284	1.00
32_H	67_K	2.245	1.00
17_T	22_A	2.221	1.00
180_E	183_D	2.180	1.00
14_L	27_N	2.094	1.00
23_K	62_A	2.078	1.00
168_E	174_R	2.071	1.00
177_N	180_E	2.063	1.00
228_G	231_G	2.020	1.00
144_K	210_K	1.991	1.00
170_W	218_L	1.984	1.00
44_I	100_L	1.950	1.00
165_K	184_M	1.944	1.00
111_M	200_T	1.939	1.00
20_G	57_G	1.930	1.00
15_Y	22_A	1.908	1.00
25_T	64_A	1.899	1.00
111_M	197_E	1.883	1.00
17_T	53_D	1.879	1.00
32_H	68_A	1.842	1.00
25_T	62_A	1.828	1.00
254_D	258_E	1.823	1.00
27_N	64_A	1.822	1.00
201_I	205_E	1.765	1.00
117_I	139_G	1.759	1.00
131_I	191_V	1.756	1.00
167_R	223_N	1.745	1.00
22_A	50_A	1.720	1.00
134_D	179_Q	1.713	1.00
168_E	188_N	1.694	1.00
195_Q	198_E	1.681	1.00
38_K	42_E	1.678	1.00
251_E	260_R	1.650	1.00
22_A	56_V	1.638	1.00
163_H	167_R	1.633	1.00
180_E	184_M	1.610	1.00
59_I	104_I	1.607	1.00
128_D	219_K	1.585	1.00
49_D	53_D	1.578	1.00
12_E	42_E	1.571	1.00
168_E	189_T	1.532	1.00
179_Q	183_D	1.529	1.00
131_I	203_W	1.521	1.00
132_A	138_F	1.517	1.00
51_R	100_L	1.496	1.00
50_A	59_I	1.491	1.00
191_V	199_E	1.484	1.00
12_E	36_T	1.481	1.00
41_A	93_N	1.478	1.00
133_A	193_L	1.466	1.00
18_Y	201_I	1.448	1.00
99_R	103_V	1.444	1.00
195_Q	199_E	1.434	1.00
112_V	124_H	1.432	1.00
124_H	130_T	1.421	1.00
24_I	46_A	1.420	1.00
130_T	164_K	1.413	1.00
130_T	160_I	1.410	1.00
167_R	171_Y	1.395	1.00
14_L	64_A	1.395	1.00
134_D	193_L	1.393	1.00
44_I	48_A	1.392	1.00
99_R	230_A	1.377	1.00
113_S	133_A	1.368	1.00
19_N	205_E	1.364	1.00
121_H	140_Q	1.354	1.00
58_V	204_C	1.352	1.00
217_F	242_L	1.349	1.00
15_Y	50_A	1.338	1.00
167_R	222_F	1.335	1.00
113_S	135_N	1.330	1.00
165_K	168_E	1.328	1.00
182_L	190_V	1.326	1.00
47_F	104_I	1.324	1.00
169_I	176_Y	1.317	1.00
102_R	156_Y	1.315	1.00
174_R	180_E	1.293	1.00
112_V	116_A	1.275	1.00
18_Y	23_K	1.268	1.00
18_Y	205_E	1.258	1.00
68_A	115_Y	1.252	1.00
115_Y	137_I	1.249	1.00
101_I	108_V	1.245	1.00
44_I	96_D	1.239	1.00
164_K	188_N	1.238	1.00
67_K	113_S	1.237	1.00
62_A	113_S	1.232	1.00
139_G	175_Q	1.219	1.00
37_P	77_V	1.218	1.00
23_K	197_E	1.216	1.00
210_K	215_L	1.199	1.00
62_A	197_E	1.197	1.00
51_R	104_I	1.193	1.00
165_K	180_E	1.182	1.00
16_E	25_T	1.173	1.00
122_V	153_G	1.171	1.00
17_T	55_N	1.171	1.00
220_A	224_A	1.164	1.00
36_T	39_T	1.157	1.00
197_E	201_I	1.157	1.00
28_R	31_V	1.150	1.00
42_E	46_A	1.132	1.00
196_L	200_T	1.132	1.00
249_A	253_R	1.127	1.00
26_I	39_T	1.121	1.00
133_A	196_L	1.119	1.00
224_A	235_F	1.114	1.00
16_E	23_K	1.114	1.00
143_P	173_C	1.096	1.00
197_E	200_T	1.091	1.00
94_V	151_G	1.090	1.00
176_Y	184_M	1.084	1.00
178_A	190_V	1.079	1.00
14_L	25_T	1.079	1.00
26_I	70_C	1.079	1.00
103_V	230_A	1.069	1.00
213_T	248_E	1.065	1.00
31_V	76_K	1.059	1.00
12_E	38_K	1.055	1.00
17_T	49_D	1.052	1.00
37_P	41_A	1.050	1.00
162_G	165_K	1.042	1.00
108_V	127_C	1.026	1.00
59_I	106_K	1.021	1.00
46_A	49_D	1.012	1.00
204_C	208_L	0.998	1.00
42_E	45_D	0.995	1.00
62_A	111_M	0.994	1.00
105_P	216_R	0.989	1.00
198_E	202_K	0.986	1.00
160_I	164_K	0.985	1.00
161_V	165_K	0.982	1.00
70_C	120_G	0.970	1.00
192_P	195_Q	0.968	1.00
129_L	203_W	0.963	1.00
59_I	108_V	0.958	1.00
111_M	196_L	0.953	1.00
21_I	58_V	0.952	1.00
179_Q	182_L	0.950	1.00
45_D	49_D	0.941	1.00
250_K	254_D	0.940	1.00
28_R	74_D	0.929	1.00
121_H	138_F	0.926	1.00
217_F	220_A	0.924	1.00
163_H	226_T	0.920	1.00
56_V	106_K	0.918	1.00
60_V	200_T	0.914	1.00
220_A	239_A	0.913	1.00
65_G	113_S	0.911	1.00
212_P	216_R	0.911	1.00
235_F	238_D	0.909	1.00
231_G	234_Q	0.907	1.00
137_I	177_N	0.894	1.00
143_P	218_L	0.886	1.00
182_L	187_V	0.883	1.00
217_F	239_A	0.875	1.00
133_A	194_E	0.874	1.00
40_V	97_L	0.872	1.00
148_F	243_Y	0.867	1.00
155_G	232_I	0.861	1.00
23_K	60_V	0.851	1.00
112_V	138_F	0.851	1.00
113_S	193_L	0.847	1.00
134_D	190_V	0.843	1.00
154_S	236_A	0.841	1.00
117_I	175_Q	0.840	1.00
113_S	196_L	0.835	1.00
201_I	204_C	0.825	1.00
24_I	59_I	0.809	1.00
182_L	189_T	0.808	1.00
32_H	71_S	0.808	1.00
44_I	93_N	0.807	1.00
169_I	184_M	0.806	1.00
199_E	203_W	0.805	1.00
76_K	257_K	0.802	1.00
17_T	56_V	0.802	1.00
54_Q	106_K	0.800	1.00
170_W	222_F	0.800	1.00
112_V	130_T	0.796	1.00
200_T	204_C	0.794	1.00
47_F	101_I	0.789	1.00
217_F	243_Y	0.787	1.00
122_V	142_G	0.786	1.00
202_K	206_E	0.785	1.00
206_E	210_K	0.781	1.00
129_L	188_N	0.781	1.00
235_F	239_A	0.779	1.00
161_V	169_I	0.779	1.00
144_K	175_Q	0.778	1.00
157_L	161_V	0.777	1.00
51_R	106_K	0.775	1.00
239_A	242_L	0.774	1.00
209_E	261_K	0.772	1.00
48_A	52_D	0.771	1.00
37_P	93_N	0.769	1.00
98_Q	126_V	0.768	1.00
198_E	201_I	0.768	1.00
44_I	97_L	0.759	1.00
13_I	46_A	0.753	1.00
189_T	203_W	0.751	1.00
28_R	36_T	0.749	1.00
229_L	233_Q	0.747	1.00
61_L	127_C	0.747	1.00
178_A	187_V	0.744	1.00
168_E	172_L	0.741	1.00
221_A	239_A	0.741	1.00
12_E	39_T	0.740	1.00
155_G	158_A	0.737	1.00
41_A	45_D	0.737	1.00
48_A	96_D	0.736	1.00
207_M	215_L	0.734	1.00
35_F	39_T	0.733	1.00
15_Y	46_A	0.730	1.00
247_D	250_K	0.728	1.00
211_S	248_E	0.727	1.00
105_P	220_A	0.722	1.00
162_G	166_A	0.718	1.00
125_I	186_L	0.716	1.00
131_I	189_T	0.716	1.00
82_G	85_G	0.715	1.00
181_A	186_L	0.713	1.00
118_G	141_T	0.713	1.00
68_A	113_S	0.711	1.00
202_K	205_E	0.709	1.00
163_H	223_N	0.706	1.00
50_A	56_V	0.702	1.00
253_R	257_K	0.693	1.00
36_T	77_V	0.689	1.00
148_F	221_A	0.689	1.00
142_G	150_A	0.686	1.00
79_G	254_D	0.686	1.00
237_G	241_L	0.680	1.00
92_L	96_D	0.679	1.00
172_L	203_W	0.678	1.00
165_K	182_L	0.678	1.00
57_G	212_P	0.677	1.00
205_E	209_E	0.675	1.00
138_F	187_V	0.672	1.00
60_V	111_M	0.672	1.00
149_D	218_L	0.666	1.00
112_V	136_A	0.665	1.00
32_H	115_Y	0.665	1.00
21_I	60_V	0.662	1.00
92_L	237_G	0.662	1.00
104_I	108_V	0.661	1.00
221_A	235_F	0.660	1.00
48_A	51_R	0.660	1.00
140_Q	153_G	0.658	1.00
15_Y	49_D	0.658	1.00
46_A	50_A	0.657	1.00
117_I	141_T	0.656	1.00
203_W	206_E	0.652	1.00
191_V	196_L	0.649	1.00
213_T	246_T	0.646	1.00
234_Q	238_D	0.645	1.00
230_A	234_Q	0.645	1.00
61_L	108_V	0.642	1.00
73_G	78_R	0.642	1.00
187_V	190_V	0.636	1.00
163_H	222_F	0.634	1.00
28_R	34_A	0.634	1.00
38_K	41_A	0.632	1.00
139_G	173_C	0.627	1.00
17_T	20_G	0.626	1.00
104_I	107_P	0.625	1.00
53_D	56_V	0.625	1.00
20_G	55_N	0.623	1.00
142_G	149_D	0.622	1.00
171_Y	215_L	0.621	1.00
31_V	74_D	0.620	1.00
115_Y	175_Q	0.620	1.00
58_V	208_L	0.619	1.00
131_I	200_T	0.616	1.00
176_Y	181_A	0.614	1.00
179_Q	190_V	0.614	1.00
57_G	208_L	0.613	1.00
132_A	136_A	0.612	1.00
109_V	204_C	0.604	1.00
21_I	204_C	0.604	1.00
53_D	106_K	0.601	1.00
251_E	255_S	0.601	1.00
110_A	130_T	0.601	1.00
96_D	99_R	0.600	1.00
39_T	42_E	0.599	1.00
21_I	201_I	0.597	1.00
213_T	243_Y	0.596	1.00
247_D	251_E	0.596	1.00
96_D	100_L	0.595	1.00
212_P	215_L	0.595	1.00
142_G	240_T	0.595	1.00
45_D	48_A	0.593	1.00
155_G	159_R	0.593	1.00
238_D	242_L	0.592	1.00
122_V	150_A	0.590	1.00
60_V	201_I	0.589	1.00
58_V	109_V	0.587	1.00
88_Q	92_L	0.587	1.00
218_L	221_A	0.579	1.00
124_H	127_C	0.578	1.00
168_E	180_E	0.577	1.00
50_A	106_K	0.576	1.00
251_E	254_D	0.574	1.00
31_V	34_A	0.574	1.00
140_Q	170_W	0.569	1.00
147_S	249_A	0.569	1.00
254_D	257_K	0.568	1.00
131_I	196_L	0.566	1.00
131_I	199_E	0.565	1.00
121_H	186_L	0.565	1.00
161_V	166_A	0.564	1.00
24_I	61_L	0.563	1.00
160_I	188_N	0.563	1.00
47_F	108_V	0.561	1.00
12_E	28_R	0.560	1.00
43_M	97_L	0.557	1.00
165_K	183_D	0.555	1.00
118_G	140_Q	0.555	1.00
172_L	207_M	0.555	1.00
172_L	206_E	0.552	1.00
15_Y	24_I	0.550	1.00
154_S	232_I	0.549	1.00
47_F	100_L	0.549	1.00
38_K	77_V	0.548	1.00
122_V	140_Q	0.547	1.00
79_G	257_K	0.547	1.00
129_L	207_M	0.546	1.00
219_K	223_N	0.545	1.00
130_T	187_V	0.542	1.00
35_F	119_G	0.541	1.00
65_G	68_A	0.539	1.00
75_Q	145_V	0.537	1.00
135_N	178_A	0.537	1.00
248_E	252_G	0.536	1.00
110_A	124_H	0.536	1.00
24_I	50_A	0.533	1.00
177_N	183_D	0.532	1.00
93_N	96_D	0.532	1.00
40_V	44_I	0.530	1.00
56_V	59_I	0.528	1.00
161_V	184_M	0.525	1.00
126_V	156_Y	0.524	1.00
159_R	228_G	0.522	1.00
206_E	209_E	0.521	1.00
167_R	219_K	0.521	1.00
168_E	203_W	0.520	1.00
146_G	211_S	0.518	1.00
24_I	47_F	0.518	1.00
143_P	215_L	0.518	1.00
102_R	223_N	0.516	1.00
195_Q	202_K	0.515	1.00
148_F	240_T	0.515	1.00
174_R	189_T	0.513	1.00
143_P	210_K	0.511	1.00
79_G	253_R	0.508	1.00
158_A	225_D	0.508	1.00
121_H	125_I	0.507	1.00
164_K	167_R	0.507	1.00
138_F	181_A	0.507	1.00
133_A	136_A	0.502	1.00
25_T	197_E	0.502	1.00
111_M	204_C	0.502	1.00
102_R	229_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
2uzfA	5	0.952	100	0.097	Contact Map
4lk5A	3	0.9188	100	0.107	Contact Map
3kqfA	3	0.9483	100	0.109	Contact Map
1nzyA	4	0.9631	100	0.113	Contact Map
4jfcA	3	0.9336	100	0.114	Contact Map
4mouA	3	0.9483	100	0.114	Contact Map
4mi2A	3	0.9446	100	0.114	Contact Map
2ppyA	6	0.9668	100	0.115	Contact Map
4i4zA	6	0.9963	100	0.115	Contact Map
3g64A	6	0.9815	100	0.117	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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