MENB - ECOLI - GREMLIN Contacts

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

UniProt:	P0ABU0	Sequences: MIYPDEAMLYAPVEWHDCSEGFEDIRYEKSTDGIAKITINRPQVRNAFRPLTVKEMIQALADARYDDNIGVIILTGAGDKAFCSGGDQKVRGDYGGYKDDSGVHHLNVLDFQRQIRTCPKPVVAMVAGYSIGGGHVLHMMCDLTIAADNAIFGQTGPKVGSFDGGWGASYMARIVGQKKAREIWFLCRQYDAKQALDMGLVNTVVPLADLEKETVRWCREMLQNSPMALRCLKAALNADCDGQAGLQELAGNATMLFYMTEEGQEGRNAFNQKRQPDFSKFKRNP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11368
Length:	285 (249)
Sequences:	29461 (19223)
Seq/√Len:	1218.2

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
151_I	189_Q	3.169	1.00
203_T	213_E	2.970	1.00
146_A	201_V	2.914	1.00
148_D	206_P	2.875	1.00
124_A	141_C	2.829	1.00
213_E	216_R	2.728	1.00
36_K	215_V	2.652	1.00
61_A	114_Q	2.492	1.00
64_R	119_P	2.432	1.00
188_R	220_E	2.287	1.00
149_N	207_L	2.264	1.00
29_K	35_A	2.171	1.00
26_R	40_N	2.168	1.00
194_Q	197_D	2.158	1.00
45_R	80_K	2.131	1.00
36_K	75_T	2.072	1.00
191_D	194_Q	2.045	1.00
184_W	232_L	2.009	1.00
182_E	188_R	1.972	1.00
179_K	198_M	1.970	1.00
125_M	214_T	1.959	1.00
38_T	77_A	1.958	1.00
33_G	70_G	1.949	1.00
57_I	114_Q	1.937	1.00
268_N	272_Q	1.911	1.00
158_K	224_N	1.905	1.00
29_K	66_D	1.888	1.00
40_N	77_A	1.877	1.00
38_T	75_T	1.875	1.00
45_R	81_A	1.859	1.00
27_Y	35_A	1.854	1.00
125_M	211_E	1.844	1.00
215_V	219_R	1.781	1.00
51_L	55_E	1.754	1.00
62_D	66_D	1.741	1.00
131_I	153_G	1.738	1.00
145_I	205_V	1.737	1.00
148_D	193_K	1.730	1.00
181_R	237_N	1.717	1.00
209_D	212_K	1.702	1.00
35_A	63_A	1.700	1.00
177_Q	181_R	1.649	1.00
194_Q	198_M	1.640	1.00
148_D	207_L	1.637	1.00
265_E	274_R	1.637	1.00
182_E	202_N	1.625	1.00
35_A	69_I	1.622	1.00
24_D	55_E	1.572	1.00
72_I	118_C	1.571	1.00
145_I	217_W	1.558	1.00
193_K	197_D	1.546	1.00
54_K	107_N	1.544	1.00
146_A	152_F	1.543	1.00
205_V	213_E	1.531	1.00
182_E	203_T	1.520	1.00
209_D	213_E	1.503	1.00
63_A	72_I	1.497	1.00
28_E	31_T	1.496	1.00
113_R	117_T	1.493	1.00
31_T	215_V	1.491	1.00
24_D	49_R	1.484	1.00
26_R	77_A	1.472	1.00
64_R	114_Q	1.450	1.00
37_I	59_A	1.449	1.00
147_A	207_L	1.441	1.00
142_D	233_K	1.440	1.00
32_D	219_R	1.429	1.00
113_R	244_A	1.421	1.00
231_C	256_L	1.405	1.00
138_H	144_T	1.403	1.00
57_I	61_A	1.401	1.00
126_V	138_H	1.400	1.00
181_R	185_F	1.397	1.00
127_A	147_A	1.369	1.00
27_Y	63_A	1.359	1.00
181_R	236_L	1.357	1.00
127_A	149_N	1.343	1.00
60_L	118_C	1.339	1.00
144_T	174_I	1.336	1.00
144_T	178_K	1.333	1.00
196_L	204_V	1.328	1.00
31_T	219_R	1.315	1.00
179_K	182_E	1.307	1.00
115_I	122_V	1.298	1.00
31_T	36_K	1.296	1.00
135_H	154_Q	1.295	1.00
183_I	190_Y	1.286	1.00
116_R	170_Y	1.282	1.00
36_K	211_E	1.272	1.00
71_V	218_C	1.268	1.00
242_G	245_G	1.246	1.00
75_T	127_A	1.244	1.00
188_R	194_Q	1.242	1.00
57_I	110_D	1.240	1.00
81_A	129_Y	1.240	1.00
64_R	118_C	1.235	1.00
129_Y	151_I	1.235	1.00
126_V	130_S	1.230	1.00
75_T	211_E	1.227	1.00
50_P	90_V	1.216	1.00
28_E	38_T	1.213	1.00
234_A	238_A	1.185	1.00
179_K	194_Q	1.181	1.00
238_A	249_L	1.179	1.00
178_K	202_N	1.179	1.00
211_E	215_V	1.179	1.00
29_K	68_N	1.171	1.00
80_K	127_A	1.164	1.00
49_R	52_T	1.160	1.00
147_A	210_L	1.159	1.00
153_G	189_Q	1.159	1.00
136_V	167_G	1.155	1.00
39_I	52_T	1.152	1.00
55_E	59_A	1.151	1.00
224_N	229_L	1.137	1.00
24_D	51_L	1.116	1.00
192_A	204_V	1.115	1.00
263_G	267_R	1.112	1.00
41_R	44_V	1.107	1.00
44_V	89_K	1.095	1.00
29_K	62_D	1.093	1.00
117_T	244_A	1.092	1.00
242_G	249_L	1.078	1.00
28_E	36_K	1.077	1.00
210_L	214_T	1.076	1.00
50_P	54_K	1.075	1.00
26_R	38_T	1.073	1.00
212_K	216_R	1.073	1.00
190_Y	198_M	1.068	1.00
72_I	120_K	1.053	1.00
59_A	62_D	1.037	1.00
157_P	187_C	1.028	1.00
39_I	83_C	1.018	1.00
55_E	58_Q	1.012	1.00
75_T	125_M	1.005	1.00
211_E	214_T	1.004	1.00
122_V	141_C	1.001	1.00
218_C	222_L	1.000	1.00
58_Q	62_D	0.997	1.00
176_G	179_K	0.987	1.00
206_P	209_D	0.985	1.00
119_P	230_R	0.985	1.00
193_K	196_L	0.982	1.00
175_V	179_K	0.981	1.00
72_I	122_V	0.978	1.00
264_Q	268_N	0.978	1.00
174_I	178_K	0.965	1.00
83_C	134_G	0.964	1.00
143_L	217_W	0.964	1.00
108_V	165_G	0.964	1.00
73_I	214_T	0.960	1.00
177_Q	240_C	0.954	1.00
227_M	262_E	0.953	1.00
234_A	253_A	0.951	1.00
231_C	234_A	0.951	1.00
34_I	71_V	0.940	1.00
125_M	210_L	0.931	1.00
226_P	230_R	0.922	1.00
69_I	120_K	0.922	1.00
135_H	152_F	0.911	1.00
231_C	253_A	0.908	1.00
151_I	191_D	0.901	1.00
196_L	201_V	0.901	1.00
157_P	232_L	0.901	1.00
245_G	248_E	0.889	1.00
169_S	246_L	0.880	1.00
249_L	252_N	0.877	1.00
127_A	210_L	0.874	1.00
41_R	87_D	0.874	1.00
78_G	127_A	0.871	1.00
126_V	152_F	0.869	1.00
148_D	204_V	0.868	1.00
36_K	73_I	0.858	1.00
57_I	107_N	0.853	1.00
53_V	111_F	0.849	1.00
184_W	236_L	0.846	1.00
162_F	257_F	0.843	1.00
61_A	65_Y	0.842	1.00
147_A	208_A	0.841	1.00
37_I	72_I	0.833	1.00
216_R	220_E	0.831	1.00
131_I	189_Q	0.830	1.00
183_I	198_M	0.823	1.00
60_L	115_I	0.821	1.00
196_L	203_T	0.819	1.00
168_A	250_A	0.814	1.00
50_P	107_N	0.811	1.00
89_K	271_N	0.805	1.00
175_V	183_I	0.803	1.00
213_E	217_W	0.802	1.00
212_K	215_V	0.801	1.00
215_V	218_C	0.792	1.00
143_L	202_N	0.789	1.00
214_T	218_C	0.787	1.00
231_C	257_F	0.787	1.00
158_K	189_Q	0.784	1.00
238_A	242_G	0.784	1.00
171_M	175_V	0.779	1.00
182_E	186_L	0.777	1.00
223_Q	275_Q	0.776	1.00
220_E	224_N	0.776	1.00
45_R	84_S	0.774	1.00
249_L	253_A	0.772	1.00
64_R	120_K	0.769	1.00
253_A	256_L	0.767	1.00
25_I	59_A	0.765	1.00
29_K	69_I	0.764	1.00
203_T	217_W	0.762	1.00
54_K	58_Q	0.762	1.00
126_V	144_T	0.760	1.00
67_D	120_K	0.752	1.00
57_I	111_F	0.752	1.00
235_A	253_A	0.750	1.00
61_A	110_D	0.750	1.00
261_E	264_Q	0.747	1.00
221_M	229_L	0.745	1.00
95_G	98_K	0.741	1.00
119_P	234_A	0.737	1.00
106_L	251_G	0.736	1.00
63_A	69_I	0.727	1.00
192_A	201_V	0.726	1.00
145_I	203_T	0.725	1.00
139_M	200_L	0.723	1.00
29_K	32_D	0.723	1.00
27_Y	59_A	0.722	1.00
41_R	49_R	0.721	1.00
112_Q	140_M	0.712	1.00
48_F	52_T	0.710	1.00
24_D	52_T	0.708	1.00
216_R	219_R	0.704	1.00
126_V	150_A	0.704	1.00
81_A	127_A	0.704	1.00
106_L	110_D	0.704	1.00
118_C	122_V	0.702	1.00
169_S	172_A	0.699	1.00
127_A	207_L	0.699	1.00
92_G	268_N	0.698	1.00
217_W	220_E	0.694	1.00
195_A	200_L	0.692	1.00
219_R	223_Q	0.692	1.00
102_G	106_L	0.687	1.00
176_G	180_A	0.683	1.00
186_L	217_W	0.683	1.00
179_K	196_L	0.682	1.00
34_I	73_I	0.681	1.00
248_E	252_N	0.678	1.00
177_Q	237_N	0.677	1.00
45_R	129_Y	0.677	1.00
33_G	68_N	0.676	1.00
267_R	271_N	0.676	1.00
225_S	262_E	0.669	1.00
59_A	63_A	0.667	1.00
70_G	226_P	0.666	1.00
136_V	156_G	0.664	1.00
154_Q	167_G	0.663	1.00
251_G	255_M	0.662	1.00
201_V	204_V	0.661	1.00
74_L	141_C	0.660	1.00
61_A	64_R	0.659	1.00
51_L	54_K	0.657	1.00
74_L	122_V	0.656	1.00
44_V	87_D	0.654	1.00
131_I	155_T	0.649	1.00
66_D	69_I	0.649	1.00
152_F	201_V	0.648	1.00
73_I	125_M	0.647	1.00
162_F	235_A	0.646	1.00
269_A	276_P	0.644	1.00
244_A	248_E	0.641	1.00
102_G	255_M	0.641	1.00
49_R	90_V	0.641	1.00
66_D	120_K	0.639	1.00
73_I	215_V	0.638	1.00
102_G	252_N	0.633	1.00
235_A	249_L	0.633	1.00
205_V	210_L	0.631	1.00
193_K	204_V	0.630	1.00
163_D	232_L	0.629	1.00
153_G	187_C	0.621	1.00
266_G	276_P	0.619	1.00
41_R	47_A	0.618	1.00
71_V	222_L	0.617	1.00
110_D	113_R	0.617	1.00
227_M	260_T	0.617	1.00
185_F	229_L	0.616	1.00
265_E	276_P	0.613	1.00
58_Q	61_A	0.611	1.00
110_D	114_Q	0.610	1.00
177_Q	236_L	0.608	1.00
145_I	210_L	0.604	1.00
70_G	222_L	0.604	1.00
52_T	55_E	0.604	1.00
252_N	256_L	0.602	1.00
34_I	215_V	0.601	1.00
29_K	33_G	0.601	1.00
71_V	123_V	0.599	1.00
86_G	91_R	0.596	1.00
129_Y	189_Q	0.594	1.00
118_C	121_P	0.593	1.00
123_V	218_C	0.592	1.00
27_Y	62_D	0.591	1.00
154_Q	184_W	0.587	1.00
161_S	263_G	0.586	1.00
268_N	271_N	0.586	1.00
190_Y	195_A	0.586	1.00
146_A	150_A	0.584	1.00
168_A	246_L	0.582	1.00
261_E	265_E	0.582	1.00
138_H	141_C	0.581	1.00
156_G	164_G	0.580	1.00
37_I	74_L	0.578	1.00
227_M	257_F	0.577	1.00
175_V	198_M	0.575	1.00
169_S	173_R	0.575	1.00
92_G	271_N	0.573	1.00
145_I	214_T	0.572	1.00
175_V	180_A	0.570	1.00
56_M	111_F	0.570	1.00
135_H	200_L	0.570	1.00
132_G	155_T	0.569	1.00
124_A	144_T	0.565	1.00
182_E	194_Q	0.565	1.00
34_I	218_C	0.564	1.00
186_L	221_M	0.562	1.00
149_N	192_A	0.562	1.00
179_K	197_D	0.561	1.00
24_D	41_R	0.559	1.00
232_L	235_A	0.559	1.00
186_L	220_E	0.557	1.00
145_I	213_E	0.557	1.00
63_A	120_K	0.555	1.00
192_A	196_L	0.554	1.00
143_L	221_M	0.551	1.00
60_L	122_V	0.550	1.00
78_G	81_A	0.549	1.00
60_L	114_Q	0.549	1.00
265_E	269_A	0.545	1.00
265_E	268_N	0.544	1.00
144_T	201_V	0.543	1.00
248_E	251_G	0.538	1.00
182_E	217_W	0.536	1.00
174_I	202_N	0.534	1.00
44_V	47_A	0.531	1.00
51_L	90_V	0.530	1.00
209_D	216_R	0.529	1.00
181_R	233_K	0.529	1.00
124_A	138_H	0.528	1.00
157_P	229_L	0.527	1.00
173_R	243_Q	0.525	1.00
127_A	211_E	0.525	1.00
37_I	60_L	0.524	1.00
69_I	72_I	0.521	1.00
220_E	223_Q	0.520	1.00
172_A	239_D	0.519	1.00
157_P	224_N	0.516	1.00
242_G	246_L	0.516	1.00
103_V	107_N	0.515	1.00
38_T	211_E	0.514	1.00
27_Y	37_I	0.514	1.00
63_A	118_C	0.512	1.00
191_D	197_D	0.512	1.00
92_G	267_R	0.511	1.00
140_M	170_Y	0.510	1.00
135_H	139_M	0.510	1.00
53_V	57_I	0.510	1.00
34_I	222_L	0.509	1.00
178_K	181_R	0.508	1.00
37_I	63_A	0.507	1.00
136_V	154_Q	0.503	1.00
160_G	225_S	0.501	1.00
88_Q	159_V	0.501	1.00
158_K	220_E	0.500	1.00
127_A	150_A	0.500	1.00
188_R	203_T	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
4i42A	7	0.9965	100	0.123	Contact Map
2fbmA	3	0.8667	100	0.154	Contact Map
4lk5A	3	0.8772	100	0.157	Contact Map
1nzyA	4	0.9228	100	0.159	Contact Map
3kqfA	3	0.9018	100	0.16	Contact Map
4k3wA	3	0.9018	100	0.161	Contact Map
2uzfA	5	0.9123	100	0.162	Contact Map
2ppyA	6	0.9193	100	0.162	Contact Map
4mouA	3	0.9088	100	0.163	Contact Map
4i4zA	6	0.9474	100	0.163	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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