BIOH - ECOLI - GREMLIN Contacts

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BIOH - Pimeloyl-[acyl-carrier protein] methyl ester esterase

UniProt:	P13001	Sequences: MNNIWWQTKGQGNVHLVLLHGWGLNAEVWRCIDEELSSHFTLHLVDLPGFGRSRGFGALSLADMAEAVLQQAPDKAIWLGWSLGGLVASQIALTHPERVQALVTVASSPCFSARDEWPGIKPDVLAGFQQQLSDDFQRTVERFLALQTMGTETARQDARALKKTVLALPMPEVDVLNGGLEILKTVDLRQPLQNVSMPFLRLYGYLDGLVPRKVVPMLDKLWPHSESYIFAKAAHAPFISHPAEFCHLLVALKQRV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10122
Length:	256 (238)
Sequences:	58783 (48071)
Seq/√Len:	3116.0

ECOLI - BIOH MHPC YBFF RUTD PLDB MENH YCJY YFHR
BACSU - RSBQ YDJP YFHM MENH YUGF YISY YBFK NAP YCGS YRAK YBDG YVAM YBAC PLBAC YCLE EST YQJL YQKD CAH
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
77_I	101_A	4.521	1.00
8_T	41_T	4.506	1.00
48_P	67_A	3.627	1.00
32_I	246_C	3.168	1.00
69_L	91_I	2.956	1.00
205_Y	231_A	2.852	1.00
241_H	244_E	2.852	1.00
228_Y	248_L	2.798	1.00
106_A	207_D	2.765	1.00
77_I	100_Q	2.752	1.00
200_L	252_L	2.627	1.00
105_V	245_F	2.561	1.00
75_K	100_Q	2.484	1.00
230_F	248_L	2.441	1.00
91_I	95_H	2.218	1.00
205_Y	229_I	2.172	1.00
69_L	95_H	2.153	1.00
69_L	73_P	2.142	1.00
69_L	98_R	2.073	1.00
85_G	107_S	2.068	1.00
72_A	76_A	2.047	1.00
78_W	88_A	2.038	1.00
7_Q	26_A	2.016	1.00
35_E	246_C	1.974	1.00
219_D	225_S	1.963	1.00
15_H	43_H	1.952	1.00
73_P	98_R	1.943	1.00
39_H	250_V	1.903	1.00
90_Q	94_T	1.893	1.00
233_A	241_H	1.873	1.00
15_H	41_T	1.848	1.00
212_R	229_I	1.831	1.00
92_A	102_L	1.800	1.00
199_F	222_W	1.729	1.00
77_I	103_V	1.711	1.00
248_L	251_A	1.696	1.00
217_M	221_L	1.687	1.00
77_I	253_K	1.686	1.00
20_H	47_L	1.685	1.00
66_E	94_T	1.683	1.00
200_L	228_Y	1.678	1.00
8_T	43_H	1.639	1.00
40_F	77_I	1.632	1.00
65_A	90_Q	1.631	1.00
88_A	102_L	1.594	1.00
45_V	68_V	1.593	1.00
62_A	94_T	1.589	1.00
19_L	47_L	1.582	1.00
20_H	50_F	1.559	1.00
47_L	87_V	1.530	1.00
24_L	28_V	1.521	1.00
91_I	99_V	1.502	1.00
68_V	91_I	1.482	1.00
9_K	44_L	1.457	1.00
19_L	68_V	1.453	1.00
26_A	46_D	1.440	1.00
26_A	52_R	1.423	1.00
244_E	248_L	1.419	1.00
95_H	98_R	1.415	1.00
247_H	251_A	1.407	1.00
104_T	107_S	1.397	1.00
35_E	250_V	1.384	1.00
89_S	104_T	1.384	1.00
43_H	71_Q	1.377	1.00
91_I	98_R	1.365	1.00
73_P	95_H	1.355	1.00
60_S	63_D	1.353	1.00
81_W	238_F	1.350	1.00
33_D	44_L	1.340	1.00
103_V	249_L	1.337	1.00
191_P	194_N	1.334	1.00
90_Q	93_L	1.328	1.00
23_G	50_F	1.310	1.00
93_L	191_P	1.255	1.00
18_L	79_L	1.251	1.00
35_E	38_S	1.251	1.00
103_V	200_L	1.244	1.00
244_E	247_H	1.241	1.00
230_F	233_A	1.223	1.00
79_L	105_V	1.217	1.00
16_L	40_F	1.217	1.00
203_Y	229_I	1.216	1.00
203_Y	215_V	1.211	1.00
19_L	88_A	1.198	1.00
82_S	235_H	1.192	1.00
212_R	216_P	1.185	1.00
18_L	42_L	1.183	1.00
222_W	225_S	1.180	1.00
76_A	99_V	1.177	1.00
219_D	227_S	1.159	1.00
203_Y	227_S	1.153	1.00
202_L	230_F	1.133	1.00
17_V	72_A	1.119	1.00
216_P	220_K	1.111	1.00
35_E	243_A	1.102	1.00
23_G	82_S	1.097	1.00
21_G	82_S	1.092	1.00
205_Y	232_K	1.087	1.00
26_A	44_L	1.083	1.00
217_M	220_K	1.060	1.00
28_V	238_F	1.053	1.00
200_L	226_E	1.045	1.00
45_V	71_Q	1.044	1.00
79_L	249_L	1.042	1.00
9_K	33_D	1.040	1.00
159_R	162_K	1.035	1.00
101_A	198_P	1.034	1.00
80_G	88_A	1.029	1.00
226_E	248_L	1.025	1.00
193_Q	221_L	1.020	1.00
129_Q	133_S	1.018	1.00
172_E	175_V	1.015	1.00
62_A	90_Q	1.012	1.00
230_F	244_E	1.010	1.00
234_A	240_S	1.009	1.00
228_Y	251_A	1.006	1.00
19_L	78_W	0.997	1.00
245_F	249_L	0.993	1.00
69_L	94_T	0.989	1.00
37_S	42_L	0.980	1.00
216_P	229_I	0.969	1.00
17_V	76_A	0.966	1.00
65_A	87_V	0.965	1.00
105_V	237_P	0.963	1.00
243_A	247_H	0.962	1.00
81_W	236_A	0.960	1.00
202_L	248_L	0.954	1.00
203_Y	212_R	0.954	1.00
155_R	159_R	0.951	1.00
154_A	157_D	0.951	1.00
233_A	240_S	0.949	1.00
9_K	37_S	0.946	1.00
76_A	98_R	0.937	1.00
40_F	253_K	0.934	1.00
105_V	238_F	0.933	1.00
72_A	91_I	0.933	1.00
174_D	178_G	0.930	1.00
216_P	227_S	0.923	1.00
160_A	164_T	0.923	1.00
58_A	63_D	0.922	1.00
46_D	51_G	0.920	1.00
158_A	162_K	0.914	1.00
233_A	237_P	0.913	1.00
126_A	130_Q	0.905	1.00
34_E	37_S	0.904	1.00
216_P	219_D	0.898	1.00
30_R	44_L	0.894	1.00
178_G	181_E	0.889	1.00
159_R	163_K	0.889	1.00
69_L	72_A	0.887	1.00
15_H	76_A	0.887	1.00
177_N	181_E	0.879	1.00
161_L	165_V	0.877	1.00
92_A	99_V	0.872	1.00
47_L	83_L	0.869	1.00
228_Y	244_E	0.864	1.00
136_F	139_T	0.860	1.00
65_A	94_T	0.860	1.00
13_N	41_T	0.854	1.00
33_D	42_L	0.853	1.00
78_W	99_V	0.845	1.00
11_Q	41_T	0.845	1.00
164_T	167_A	0.841	1.00
31_C	34_E	0.840	1.00
15_H	40_F	0.839	1.00
175_V	178_G	0.838	1.00
63_D	66_E	0.835	1.00
64_M	83_L	0.828	1.00
16_L	79_L	0.825	1.00
126_A	129_Q	0.821	1.00
16_L	42_L	0.815	1.00
70_Q	73_P	0.814	1.00
158_A	161_L	0.814	1.00
90_Q	191_P	0.814	1.00
180_L	183_L	0.812	1.00
215_V	227_S	0.809	1.00
160_A	163_K	0.807	1.00
32_I	35_E	0.798	1.00
157_D	160_A	0.792	1.00
26_A	45_V	0.789	1.00
106_A	237_P	0.789	1.00
19_L	45_V	0.787	1.00
174_D	177_N	0.787	1.00
130_Q	134_D	0.786	1.00
102_L	199_F	0.785	1.00
179_G	182_I	0.784	1.00
230_F	241_H	0.781	1.00
176_L	179_G	0.776	1.00
70_Q	74_D	0.775	1.00
80_G	85_G	0.775	1.00
163_K	166_L	0.769	1.00
178_G	182_I	0.765	1.00
20_H	45_V	0.760	1.00
101_A	252_L	0.759	1.00
201_R	225_S	0.757	1.00
106_A	204_G	0.755	1.00
66_E	69_L	0.751	1.00
93_L	194_N	0.749	1.00
16_L	253_K	0.748	1.00
48_P	64_M	0.745	1.00
214_V	217_M	0.742	1.00
65_A	91_I	0.739	1.00
40_F	250_V	0.733	1.00
46_D	52_R	0.727	1.00
196_S	223_P	0.726	1.00
66_E	70_Q	0.726	1.00
147_Q	150_G	0.725	1.00
16_L	77_I	0.725	1.00
76_A	100_Q	0.722	1.00
22_W	83_L	0.722	1.00
81_W	106_A	0.717	1.00
246_C	250_V	0.717	1.00
99_V	197_M	0.716	1.00
137_Q	141_E	0.715	1.00
17_V	68_V	0.714	1.00
101_A	253_K	0.712	1.00
158_A	165_V	0.711	1.00
213_K	216_P	0.711	1.00
34_E	38_S	0.708	1.00
92_A	197_M	0.707	1.00
18_L	29_W	0.706	1.00
155_R	158_A	0.706	1.00
156_Q	160_A	0.706	1.00
27_E	30_R	0.705	1.00
62_A	66_E	0.704	1.00
205_Y	212_R	0.703	1.00
106_A	203_Y	0.703	1.00
86_L	108_S	0.702	1.00
162_K	165_V	0.696	1.00
135_D	139_T	0.690	1.00
89_S	109_P	0.690	1.00
47_L	64_M	0.688	1.00
232_K	241_H	0.688	1.00
29_W	33_D	0.687	1.00
13_N	77_I	0.685	1.00
128_F	132_L	0.685	1.00
103_V	253_K	0.684	1.00
17_V	78_W	0.675	1.00
138_R	141_E	0.673	1.00
242_P	246_C	0.672	1.00
204_G	237_P	0.669	1.00
10_G	41_T	0.667	1.00
149_M	152_E	0.665	1.00
173_V	177_N	0.664	1.00
139_T	142_R	0.664	1.00
156_Q	159_R	0.664	1.00
12_G	41_T	0.663	1.00
140_V	144_L	0.661	1.00
38_S	250_V	0.659	1.00
81_W	105_V	0.654	1.00
79_L	103_V	0.652	1.00
103_V	252_L	0.651	1.00
23_G	83_L	0.647	1.00
78_W	91_I	0.645	1.00
33_D	37_S	0.644	1.00
30_R	34_E	0.644	1.00
141_E	145_A	0.643	1.00
247_H	250_V	0.641	1.00
142_R	146_L	0.641	1.00
179_G	183_L	0.640	1.00
104_T	201_R	0.639	1.00
125_L	129_Q	0.639	1.00
101_A	200_L	0.638	1.00
138_R	142_R	0.637	1.00
202_L	245_F	0.637	1.00
46_D	53_S	0.635	1.00
162_K	166_L	0.634	1.00
13_N	100_Q	0.627	1.00
47_L	50_F	0.624	1.00
206_L	232_K	0.622	1.00
176_L	180_L	0.619	1.00
172_E	178_G	0.617	1.00
140_V	143_F	0.611	1.00
128_F	131_Q	0.610	1.00
127_G	130_Q	0.610	1.00
142_R	145_A	0.603	1.00
32_I	245_F	0.603	1.00
28_V	81_W	0.602	1.00
124_V	127_G	0.601	1.00
186_V	189_R	0.599	1.00
9_K	34_E	0.598	1.00
80_G	84_G	0.597	1.00
171_P	174_D	0.597	1.00
163_K	167_A	0.593	1.00
65_A	69_L	0.589	1.00
188_L	191_P	0.589	1.00
13_N	40_F	0.583	1.00
124_V	128_F	0.582	1.00
125_L	132_L	0.582	1.00
16_L	36_L	0.580	1.00
207_D	235_H	0.578	1.00
39_H	42_L	0.577	1.00
143_F	147_Q	0.575	1.00
139_T	143_F	0.573	1.00
18_L	44_L	0.572	1.00
249_L	253_K	0.569	1.00
36_L	249_L	0.569	1.00
61_L	90_Q	0.568	1.00
76_A	91_I	0.568	1.00
127_G	131_Q	0.565	1.00
72_A	98_R	0.565	1.00
130_Q	133_S	0.562	1.00
63_D	67_A	0.562	1.00
215_V	219_D	0.559	1.00
144_L	149_M	0.559	1.00
125_L	128_F	0.558	1.00
103_V	202_L	0.556	1.00
29_W	32_I	0.554	1.00
226_E	251_A	0.554	1.00
24_L	236_A	0.553	1.00
237_P	245_F	0.552	1.00
246_C	251_A	0.550	1.00
95_H	99_V	0.549	1.00
201_R	215_V	0.547	1.00
190_Q	193_Q	0.547	1.00
7_Q	30_R	0.546	1.00
18_L	36_L	0.546	1.00
64_M	87_V	0.546	1.00
17_V	45_V	0.545	1.00
82_S	236_A	0.544	1.00
181_E	184_K	0.543	1.00
143_F	146_L	0.543	1.00
172_E	179_G	0.543	1.00
139_T	144_L	0.542	1.00
64_M	67_A	0.541	1.00
201_R	227_S	0.541	1.00
161_L	164_T	0.539	1.00
136_F	140_V	0.537	1.00
61_L	87_V	0.537	1.00
124_V	129_Q	0.536	1.00
105_V	202_L	0.534	1.00
143_F	148_T	0.534	1.00
172_E	180_L	0.528	1.00
12_G	15_H	0.527	1.00
83_L	87_V	0.525	1.00
8_T	15_H	0.524	1.00
127_G	132_L	0.524	1.00
13_N	75_K	0.521	1.00
71_Q	74_D	0.520	1.00
89_S	107_S	0.518	1.00
202_L	228_Y	0.518	1.00
135_D	138_R	0.517	1.00
129_Q	134_D	0.516	1.00
92_A	195_V	0.513	1.00
238_F	245_F	0.512	1.00
86_L	89_S	0.511	1.00
29_W	79_L	0.509	1.00
75_K	98_R	0.506	1.00
50_F	64_M	0.506	1.00
206_L	231_A	0.506	1.00
32_I	36_L	0.506	1.00
21_G	81_W	0.504	1.00
175_V	179_G	0.504	1.00
88_A	104_T	0.504	1.00
198_P	224_H	0.504	1.00
203_Y	210_V	0.500	1.00
94_T	191_P	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
4nmwA	1	0.9922	100	0.109	Contact Map
1womA	1	0.9844	100	0.18	Contact Map
4inzA	1	0.9805	100	0.186	Contact Map
1ehyA	1	0.9336	100	0.187	Contact Map
2pujA	4	0.9844	100	0.19	Contact Map
3om8A	4	0.957	100	0.191	Contact Map
3oosA	1	0.9805	100	0.195	Contact Map
2xuaA	2	0.9531	100	0.202	Contact Map
3w06A	1	0.9844	100	0.203	Contact Map
3bf7A	1	0.9531	100	0.208	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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