BIOC - ECOLI - GREMLIN Contacts

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BIOC - Malonyl-[acyl-carrier protein] O-methyltransferase

UniProt:	P12999	Sequences: MATVNKQAIAAAFGRAAAHYEQHADLQRQSADALLAMLPQRKYTHVLDAGCGPGWMSRHWRERHAQVTALDLSPPMLVQARQKDAADHYLAGDIESLPLATATFDLAWSNLAVQWCGNLSTALRELYRVVRPKGVVAFTTLVQGSLPELHQAWQAVDERPHANRFLPPDEIEQSLNGVHYQHHIQPITLWFDDALSAMRSLKGIGATHLHEGRDPRILTRSQLQRLQLAWPQQQGRYPLTYHLFLGVIARE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10119
Length:	251 (207)
Sequences:	15410 (11698)
Seq/√Len:	813.1

ECOLI - BIOC TAM YJHP UBIE SMTA UBIG CMOA YAFE RLMA TEHB CMOB
BACSU - YCGJ MENG YODH YRRT YXBB YBAJ YQEM YRHH YXJB YDAC
HALSA - Q9HR63 Q9HRX3 Q9HR81 Q9HND6 Q9HMT2 ARSM Q9HSK6 Q9HQ85
SULSO - Q7LXN7 Q97WH3 Q97ZU8 Q97WT7 Q97X57 Q97XD7 Q97YX4 Q97WN4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
45_H	66_Q	3.403	1.00
74_P	91_A	2.769	1.00
125_E	128_R	2.728	1.00
127_Y	180_Y	2.596	1.00
66_Q	88_H	2.586	1.00
51_C	69_A	2.508	1.00
68_T	104_F	2.490	1.00
80_A	89_Y	2.470	1.00
57_S	67_V	2.414	1.00
126_L	136_V	2.370	1.00
47_L	104_F	2.345	1.00
77_L	89_Y	2.337	1.00
70_L	92_G	2.319	1.00
105_D	131_R	2.289	1.00
50_G	112_A	2.265	1.00
74_P	78_V	2.265	1.00
107_A	126_L	2.233	1.00
118_N	121_T	2.192	1.00
77_L	81_R	2.188	1.00
130_V	134_G	2.170	1.00
77_L	91_A	2.132	1.00
68_T	90_L	2.122	1.00
44_T	106_L	2.115	1.00
107_A	130_V	2.077	1.00
58_R	84_D	2.055	1.00
99_L	104_F	2.021	1.00
125_E	129_V	2.008	1.00
79_Q	82_Q	1.881	1.00
45_H	68_T	1.820	1.00
120_S	124_R	1.819	1.00
51_C	57_S	1.814	1.00
71_D	77_L	1.804	1.00
109_S	112_A	1.776	1.00
58_R	83_K	1.747	1.00
41_R	44_T	1.725	1.00
215_P	218_L	1.712	1.00
130_V	136_V	1.672	1.00
32_D	59_H	1.664	1.00
219_T	222_Q	1.623	1.00
120_S	177_G	1.584	1.00
215_P	219_T	1.561	1.00
46_V	60_W	1.558	1.00
84_D	89_Y	1.552	1.00
92_G	98_P	1.530	1.00
45_H	131_R	1.526	1.00
68_T	88_H	1.506	1.00
44_T	65_A	1.461	1.00
94_I	116_C	1.451	1.00
49_A	126_L	1.440	1.00
121_T	124_R	1.425	1.00
58_R	62_E	1.412	1.00
112_A	116_C	1.409	1.00
218_L	222_Q	1.404	1.00
33_A	36_A	1.392	1.00
46_V	106_L	1.391	1.00
59_H	62_E	1.390	1.00
172_E	176_N	1.386	1.00
49_A	94_I	1.374	1.00
120_S	174_S	1.370	1.00
57_S	69_A	1.360	1.00
75_P	78_V	1.357	1.00
51_C	80_A	1.337	1.00
116_C	122_A	1.331	1.00
78_V	81_R	1.320	1.00
122_A	126_L	1.319	1.00
45_H	104_F	1.317	1.00
14_G	73_S	1.315	1.00
78_V	82_Q	1.262	1.00
69_A	89_Y	1.246	1.00
56_M	108_W	1.243	1.00
21_E	83_K	1.242	1.00
193_D	196_S	1.236	1.00
33_A	37_M	1.225	1.00
21_E	53_P	1.222	1.00
14_G	75_P	1.221	1.00
173_Q	177_G	1.219	1.00
59_H	63_R	1.208	1.00
130_V	180_Y	1.207	1.00
101_T	128_R	1.206	1.00
32_D	36_A	1.188	1.00
93_D	96_S	1.186	1.00
72_L	93_D	1.185	1.00
47_L	107_A	1.178	1.00
48_D	69_A	1.167	1.00
119_L	174_S	1.167	1.00
94_I	112_A	1.154	1.00
152_A	156_V	1.147	1.00
167_P	170_E	1.130	1.00
84_D	87_D	1.128	1.00
97_L	125_E	1.127	1.00
70_L	97_L	1.125	1.00
90_L	99_L	1.122	1.00
33_A	185_Q	1.108	1.00
168_P	172_E	1.107	1.00
98_P	125_E	1.095	1.00
107_A	129_V	1.092	1.00
36_A	63_R	1.083	1.00
50_G	109_S	1.081	1.00
34_L	137_A	1.077	1.00
113_V	140_T	1.076	1.00
97_L	129_V	1.072	1.00
151_Q	154_Q	1.068	1.00
37_M	183_H	1.050	1.00
18_A	79_Q	1.047	1.00
45_H	105_D	1.044	1.00
56_M	110_N	1.043	1.00
126_L	130_V	1.036	1.00
197_A	200_S	1.034	1.00
113_V	116_C	1.023	1.00
100_A	103_T	1.016	1.00
61_R	86_A	1.011	1.00
193_D	197_A	1.009	1.00
69_A	80_A	0.993	1.00
149_L	152_A	0.987	1.00
71_D	76_M	0.981	1.00
153_W	157_D	0.970	1.00
150_H	154_Q	0.966	1.00
92_G	97_L	0.965	1.00
37_M	185_Q	0.965	1.00
43_Y	65_A	0.955	1.00
48_D	67_V	0.954	1.00
113_V	138_F	0.951	1.00
44_T	105_D	0.950	1.00
124_R	178_V	0.946	1.00
203_G	206_A	0.943	1.00
32_D	63_R	0.933	1.00
184_I	187_I	0.931	1.00
154_Q	157_D	0.926	1.00
27_Q	30_S	0.926	1.00
95_E	116_C	0.921	1.00
152_A	155_A	0.919	1.00
200_S	204_I	0.904	1.00
21_E	79_Q	0.895	1.00
110_N	139_T	0.894	1.00
121_T	125_E	0.889	1.00
68_T	99_L	0.886	1.00
60_W	108_W	0.880	1.00
216_R	219_T	0.875	1.00
19_H	23_H	0.866	1.00
204_I	207_T	0.865	1.00
199_R	203_G	0.864	1.00
79_Q	83_K	0.864	1.00
47_L	129_V	0.846	1.00
81_R	85_A	0.846	1.00
127_Y	178_V	0.841	1.00
82_Q	85_A	0.834	1.00
101_T	125_E	0.834	1.00
197_A	201_L	0.832	1.00
123_L	175_L	0.824	1.00
73_S	76_M	0.824	1.00
103_T	131_R	0.820	1.00
45_H	103_T	0.820	1.00
51_C	71_D	0.819	1.00
38_L	137_A	0.816	1.00
46_V	67_V	0.816	1.00
57_S	87_D	0.815	1.00
120_S	178_V	0.808	1.00
31_A	56_M	0.804	1.00
111_L	141_L	0.792	1.00
205_G	208_H	0.785	1.00
173_Q	176_N	0.784	1.00
106_L	135_V	0.777	1.00
149_L	153_W	0.777	1.00
48_D	108_W	0.775	1.00
152_A	157_D	0.764	1.00
61_R	87_D	0.761	1.00
153_W	156_V	0.761	1.00
150_H	153_W	0.757	1.00
170_E	174_S	0.752	1.00
195_L	198_M	0.750	1.00
170_E	173_Q	0.748	1.00
57_S	89_Y	0.745	1.00
46_V	108_W	0.743	1.00
58_R	85_A	0.736	1.00
155_A	158_E	0.736	1.00
187_I	191_F	0.735	1.00
19_H	22_Q	0.734	1.00
208_H	211_E	0.733	1.00
200_S	203_G	0.732	1.00
104_F	129_V	0.726	1.00
217_I	221_S	0.723	1.00
198_M	201_L	0.721	1.00
20_Y	23_H	0.720	1.00
113_V	123_L	0.719	1.00
49_A	122_A	0.716	1.00
99_L	103_T	0.713	1.00
109_S	116_C	0.707	1.00
216_R	222_Q	0.707	1.00
175_L	178_V	0.706	1.00
53_P	76_M	0.703	1.00
127_Y	179_H	0.697	1.00
44_T	131_R	0.677	1.00
47_L	70_L	0.674	1.00
194_A	198_M	0.669	1.00
95_E	118_N	0.669	1.00
28_R	32_D	0.667	1.00
40_Q	44_T	0.663	1.00
147_P	150_H	0.662	1.00
43_Y	46_V	0.662	1.00
66_Q	86_A	0.662	1.00
199_R	202_K	0.661	1.00
123_L	178_V	0.661	1.00
215_P	222_Q	0.660	1.00
111_L	114_Q	0.658	1.00
207_T	211_E	0.657	1.00
95_E	121_T	0.655	1.00
198_M	202_K	0.654	1.00
211_E	215_P	0.652	1.00
164_R	170_E	0.648	1.00
124_R	128_R	0.648	1.00
185_Q	189_L	0.644	1.00
29_Q	32_D	0.642	1.00
216_R	220_R	0.642	1.00
48_D	70_L	0.640	1.00
217_I	220_R	0.639	1.00
74_P	81_R	0.639	1.00
113_V	122_A	0.635	1.00
166_L	170_E	0.634	1.00
202_K	205_G	0.633	1.00
207_T	210_H	0.630	1.00
169_D	172_E	0.629	1.00
54_G	80_A	0.628	1.00
96_S	125_E	0.628	1.00
92_G	96_S	0.621	1.00
202_K	206_A	0.621	1.00
17_A	75_P	0.618	1.00
192_D	196_S	0.617	1.00
114_Q	140_T	0.616	1.00
204_I	208_H	0.615	1.00
147_P	151_Q	0.614	1.00
128_R	131_R	0.610	1.00
16_A	19_H	0.607	1.00
50_G	72_L	0.604	1.00
56_M	60_W	0.604	1.00
184_I	188_T	0.602	1.00
56_M	139_T	0.601	1.00
31_A	35_L	0.601	1.00
178_V	181_Q	0.600	1.00
146_L	149_L	0.599	1.00
55_W	59_H	0.598	1.00
70_L	90_L	0.596	1.00
90_L	98_P	0.595	1.00
39_P	135_V	0.595	1.00
58_R	61_R	0.593	1.00
40_Q	43_Y	0.592	1.00
51_C	70_L	0.587	1.00
111_L	139_T	0.586	1.00
33_A	187_I	0.584	1.00
34_L	110_N	0.581	1.00
13_F	17_A	0.580	1.00
58_R	87_D	0.579	1.00
75_P	79_Q	0.578	1.00
37_M	40_Q	0.576	1.00
13_F	19_H	0.576	1.00
81_R	89_Y	0.570	1.00
72_L	91_A	0.569	1.00
95_E	117_G	0.568	1.00
206_A	209_L	0.568	1.00
109_S	138_F	0.565	1.00
148_E	152_A	0.563	1.00
148_E	155_A	0.562	1.00
94_I	122_A	0.562	1.00
111_L	115_W	0.561	1.00
149_L	156_V	0.558	1.00
176_N	182_H	0.555	1.00
35_L	63_R	0.555	1.00
135_V	138_F	0.554	1.00
187_I	190_W	0.553	1.00
196_S	199_R	0.551	1.00
172_E	184_I	0.549	1.00
151_Q	155_A	0.547	1.00
49_A	70_L	0.546	1.00
29_Q	33_A	0.546	1.00
45_H	102_A	0.545	1.00
203_G	207_T	0.544	1.00
136_V	175_L	0.543	1.00
95_E	122_A	0.542	1.00
45_H	65_A	0.541	1.00
99_L	129_V	0.541	1.00
179_H	182_H	0.540	1.00
163_N	166_L	0.539	1.00
28_R	59_H	0.538	1.00
107_A	136_V	0.536	1.00
201_L	206_A	0.535	1.00
198_M	204_I	0.534	1.00
77_L	80_A	0.534	1.00
103_T	129_V	0.533	1.00
94_I	97_L	0.531	1.00
149_L	155_A	0.531	1.00
146_L	152_A	0.531	1.00
169_D	173_Q	0.528	1.00
81_R	88_H	0.525	1.00
146_L	150_H	0.523	1.00
35_L	59_H	0.522	1.00
15_R	19_H	0.521	1.00
17_A	79_Q	0.520	1.00
97_L	104_F	0.519	1.00
154_Q	158_E	0.518	1.00
174_S	177_G	0.517	1.00
113_V	119_L	0.515	1.00
18_A	21_E	0.514	1.00
189_L	192_D	0.513	1.00
13_F	114_Q	0.512	1.00
14_G	17_A	0.511	1.00
115_W	141_L	0.510	1.00
18_A	22_Q	0.507	1.00
196_S	200_S	0.503	1.00
150_H	157_D	0.503	1.00
106_L	134_G	0.503	1.00
136_V	180_Y	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
2p35A	2	0.9124	100	0.344	Contact Map
3ccfA	1	0.9004	100	0.362	Contact Map
2yqzA	1	0.9602	100	0.376	Contact Map
4hg2A	1	0.9004	100	0.4	Contact Map
1vl5A	1	0.8765	100	0.402	Contact Map
4pneA	2	0.9482	100	0.407	Contact Map
1xxlA	1	0.8964	100	0.414	Contact Map
2o57A	2	0.9641	100	0.423	Contact Map
3egeA	1	0.8685	100	0.431	Contact Map
3busA	1	0.8805	100	0.432	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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