IOLG - BACSU - GREMLIN Contacts

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IOLG - Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase

UniProt:	P26935	Sequences: MSLRIGVIGTGAIGKEHINRITNKLSGAEIVAVTDVNQEAAQKVVEQYQLNATVYPNDDSLLADENVDAVLVTSWGPAHESSVLKAIKAQKYVFCEKPLATTAEGCMRIVEEEIKVGKRLVQVGFMRRYDSGYVQLKEALDNHVIGEPLMIHCAHRNPTVGDNYTTDMAVVDTLVHEIDVLHWLVNDDYESVQVIYPKKSKNALPHLKDPQIVVIETKGGIVINAEIYVNCKYGYDIQCEIVGEDGIIKLPEPSSISLRKEGRFSTDILMDWQRRFVAAYDVEIQDFIDSIQKKGEVSGPTAWDGYIAAVTTDACVKAQESGQKEKVELKEKPEFYQSFTTVQN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	344 (307)
Sequences:	25541 (18959)
Seq/√Len:	1082.1

ECOLI - YHHX YCJS YGJR YDGJ YJHC YCEM
BACSU - IOLG YRBE IOLX NTDC YFII IOLW YULF YTET
SULSO - Q97UK3 Q97UJ6 Q97UH0 Q97UK0 Q97UJ8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
59_D	85_K	3.067	1.00
80_E	108_R	2.785	1.00
84_L	112_E	2.764	1.00
191_S	216_E	2.739	1.00
128_R	179_D	2.728	1.00
4_R	29_E	2.689	1.00
38_Q	42_Q	2.665	1.00
147_E	244_E	2.658	1.00
135_Q	138_E	2.626	1.00
88_K	112_E	2.625	1.00
107_M	306_Y	2.592	1.00
190_E	218_K	2.415	1.00
84_L	88_K	2.380	1.00
74_S	82_S	2.376	1.00
6_G	61_L	2.367	1.00
80_E	105_G	2.347	1.00
84_L	108_R	2.333	1.00
137_K	141_D	2.329	1.00
213_V	315_C	2.159	1.00
87_I	118_K	2.131	1.00
57_N	60_S	2.130	1.00
317_K	321_S	2.117	1.00
32_A	55_Y	2.106	1.00
138_E	142_N	2.098	1.00
78_A	82_S	2.086	1.00
111_E	115_K	2.032	1.00
289_D	293_K	2.031	1.00
114_I	303_W	1.964	1.00
80_E	84_L	1.954	1.00
27_G	292_Q	1.953	1.00
293_K	296_E	1.938	1.00
135_Q	139_A	1.930	1.00
83_V	95_C	1.924	1.00
69_A	287_F	1.899	1.00
15_K	47_Q	1.892	1.00
53_T	64_D	1.871	1.00
42_Q	46_E	1.851	1.00
107_M	111_E	1.844	1.00
87_I	113_E	1.833	1.00
81_S	85_K	1.832	1.00
74_S	78_A	1.831	1.00
107_M	310_V	1.830	1.00
112_E	116_V	1.799	1.00
88_K	116_V	1.756	1.00
37_N	40_A	1.752	1.00
92_Y	118_K	1.741	1.00
6_G	67_V	1.714	1.00
145_I	243_G	1.696	1.00
217_T	223_I	1.694	1.00
103_A	313_D	1.692	1.00
70_V	86_A	1.653	1.00
102_T	105_G	1.644	1.00
5_I	69_A	1.636	1.00
83_V	109_I	1.621	1.00
21_I	71_L	1.617	1.00
62_L	86_A	1.600	1.00
28_A	288_I	1.599	1.00
121_V	302_A	1.589	1.00
56_P	60_S	1.585	1.00
63_A	89_A	1.573	1.00
67_V	91_K	1.567	1.00
190_E	216_E	1.557	1.00
124_G	283_E	1.526	1.00
136_L	248_I	1.526	1.00
58_D	85_K	1.522	1.00
139_A	144_V	1.517	1.00
137_K	183_W	1.510	1.00
88_K	115_K	1.505	1.00
196_Y	319_Q	1.493	1.00
43_K	47_Q	1.467	1.00
112_E	115_K	1.449	1.00
110_V	306_Y	1.446	1.00
307_I	310_V	1.440	1.00
60_S	63_A	1.437	1.00
101_T	105_G	1.430	1.00
110_V	302_A	1.429	1.00
55_Y	64_D	1.416	1.00
80_E	109_I	1.412	1.00
59_D	63_A	1.389	1.00
38_Q	56_P	1.388	1.00
152_H	240_E	1.382	1.00
149_L	244_E	1.378	1.00
85_K	88_K	1.355	1.00
185_V	221_I	1.346	1.00
100_A	106_C	1.344	1.00
87_I	116_V	1.336	1.00
100_A	109_I	1.318	1.00
60_S	64_D	1.317	1.00
4_R	31_V	1.305	1.00
85_K	89_A	1.299	1.00
187_D	218_K	1.296	1.00
240_E	249_K	1.293	1.00
55_Y	61_L	1.284	1.00
187_D	219_G	1.278	1.00
103_A	107_M	1.270	1.00
106_C	306_Y	1.269	1.00
4_R	68_D	1.261	1.00
286_D	290_S	1.260	1.00
103_A	310_V	1.260	1.00
41_A	54_V	1.259	1.00
10_T	33_V	1.251	1.00
34_T	58_D	1.249	1.00
182_H	307_I	1.245	1.00
189_Y	217_T	1.237	1.00
286_D	299_G	1.217	1.00
182_H	217_T	1.214	1.00
289_D	296_E	1.213	1.00
145_I	246_G	1.209	1.00
43_K	46_E	1.206	1.00
34_T	61_L	1.202	1.00
27_G	285_Q	1.202	1.00
72_V	82_S	1.193	1.00
90_Q	116_V	1.191	1.00
58_D	82_S	1.191	1.00
86_A	93_V	1.181	1.00
148_P	241_I	1.180	1.00
72_V	83_V	1.176	1.00
178_I	311_T	1.173	1.00
108_R	111_E	1.170	1.00
87_I	112_E	1.166	1.00
152_H	226_E	1.162	1.00
32_A	61_L	1.161	1.00
285_Q	289_D	1.155	1.00
110_V	303_W	1.148	1.00
45_V	54_V	1.140	1.00
39_E	42_Q	1.140	1.00
238_Q	249_K	1.136	1.00
195_I	216_E	1.133	1.00
301_T	304_D	1.115	1.00
65_E	91_K	1.115	1.00
182_H	304_D	1.115	1.00
99_L	106_C	1.112	1.00
288_I	292_Q	1.109	1.00
23_N	281_D	1.108	1.00
61_L	67_V	1.098	1.00
5_I	28_A	1.095	1.00
111_E	114_I	1.087	1.00
317_K	320_E	1.086	1.00
58_D	62_L	1.081	1.00
313_D	317_K	1.081	1.00
75_W	78_A	1.080	1.00
108_R	112_E	1.080	1.00
94_F	124_G	1.072	1.00
94_F	283_E	1.069	1.00
106_C	309_A	1.066	1.00
193_Q	214_V	1.066	1.00
32_A	67_V	1.056	1.00
139_A	142_N	1.052	1.00
110_V	114_I	1.047	1.00
133_Y	183_W	1.040	1.00
3_L	292_Q	1.040	1.00
105_G	108_R	1.035	1.00
181_L	223_I	1.033	1.00
151_I	223_I	1.031	1.00
62_L	85_K	1.030	1.00
66_N	91_K	1.023	1.00
27_G	289_D	1.021	1.00
3_L	69_A	1.011	1.00
92_Y	291_I	1.008	1.00
138_E	141_D	1.003	1.00
84_L	109_I	0.999	1.00
29_E	51_N	0.999	1.00
314_A	317_K	0.999	1.00
17_H	71_L	0.998	1.00
95_C	121_V	0.997	1.00
8_I	82_S	0.993	1.00
62_L	89_A	0.991	1.00
145_I	248_I	0.991	1.00
100_A	105_G	0.983	1.00
41_A	56_P	0.983	1.00
151_I	185_V	0.982	1.00
104_E	107_M	0.982	1.00
3_L	291_I	0.973	1.00
249_K	257_S	0.965	1.00
19_N	23_N	0.964	1.00
282_V	285_Q	0.962	1.00
286_D	296_E	0.955	1.00
53_T	66_N	0.954	1.00
281_D	285_Q	0.954	1.00
19_N	47_Q	0.953	1.00
128_R	304_D	0.951	1.00
145_I	148_P	0.950	1.00
64_D	67_V	0.948	1.00
286_D	289_D	0.947	1.00
92_Y	295_G	0.943	1.00
109_I	121_V	0.941	1.00
189_Y	215_I	0.940	1.00
148_P	243_G	0.938	1.00
39_E	43_K	0.933	1.00
82_S	85_K	0.931	1.00
129_Y	286_D	0.925	1.00
40_A	43_K	0.922	1.00
136_L	250_L	0.920	1.00
55_Y	60_S	0.918	1.00
41_A	45_V	0.916	1.00
99_L	302_A	0.916	1.00
104_E	108_R	0.916	1.00
148_P	185_V	0.914	1.00
297_V	301_T	0.913	1.00
10_T	35_D	0.908	1.00
83_V	93_V	0.908	1.00
42_Q	54_V	0.898	1.00
103_A	306_Y	0.898	1.00
33_V	44_V	0.888	1.00
99_L	121_V	0.886	1.00
38_Q	41_A	0.884	1.00
80_E	100_A	0.883	1.00
144_V	260_K	0.881	1.00
126_M	279_A	0.881	1.00
122_Q	287_F	0.879	1.00
71_L	284_I	0.876	1.00
314_A	318_A	0.874	1.00
134_V	299_G	0.871	1.00
303_W	307_I	0.868	1.00
5_I	21_I	0.863	1.00
113_E	116_V	0.862	1.00
78_A	81_S	0.861	1.00
316_V	320_E	0.861	1.00
187_D	307_I	0.858	1.00
35_D	41_A	0.857	1.00
38_Q	54_V	0.854	1.00
101_T	166_T	0.854	1.00
290_S	293_K	0.853	1.00
212_I	224_N	0.848	1.00
83_V	87_I	0.839	1.00
87_I	93_V	0.838	1.00
72_V	86_A	0.834	1.00
107_M	110_V	0.833	1.00
42_Q	45_V	0.827	1.00
113_E	121_V	0.824	1.00
95_C	99_L	0.823	1.00
134_V	138_E	0.818	1.00
31_V	66_N	0.818	1.00
15_K	43_K	0.815	1.00
151_I	181_L	0.815	1.00
310_V	314_A	0.815	1.00
76_G	172_D	0.812	1.00
240_E	247_I	0.810	1.00
21_I	28_A	0.809	1.00
6_G	32_A	0.809	1.00
151_I	241_I	0.807	1.00
27_G	288_I	0.807	1.00
21_I	284_I	0.807	1.00
146_G	246_G	0.806	1.00
146_G	243_G	0.804	1.00
45_V	50_L	0.801	1.00
194_V	315_C	0.798	1.00
17_H	284_I	0.797	1.00
122_Q	290_S	0.797	1.00
14_G	73_T	0.793	1.00
189_Y	218_K	0.793	1.00
4_R	67_V	0.792	1.00
152_H	224_N	0.790	1.00
95_C	109_I	0.790	1.00
195_I	222_V	0.788	1.00
35_D	40_A	0.788	1.00
182_H	308_A	0.787	1.00
6_G	34_T	0.783	1.00
153_C	239_C	0.780	1.00
64_D	91_K	0.780	1.00
189_Y	311_T	0.778	1.00
77_P	165_T	0.774	1.00
154_A	238_Q	0.773	1.00
113_E	118_K	0.772	1.00
147_E	219_G	0.767	1.00
178_I	312_T	0.766	1.00
289_D	295_G	0.766	1.00
8_I	74_S	0.765	1.00
169_A	227_I	0.764	1.00
260_K	263_R	0.762	1.00
69_A	92_Y	0.762	1.00
140_L	243_G	0.759	1.00
215_I	223_I	0.757	1.00
256_I	259_R	0.754	1.00
87_I	121_V	0.752	1.00
8_I	58_D	0.751	1.00
113_E	302_A	0.749	1.00
238_Q	251_P	0.747	1.00
106_C	110_V	0.745	1.00
7_V	18_I	0.744	1.00
245_D	261_E	0.741	1.00
167_D	171_V	0.741	1.00
193_Q	318_A	0.741	1.00
13_I	17_H	0.737	1.00
31_V	64_D	0.736	1.00
191_S	322_G	0.736	1.00
287_F	291_I	0.735	1.00
125_F	175_V	0.733	1.00
170_V	312_T	0.733	1.00
168_M	208_K	0.728	1.00
13_I	280_Y	0.727	1.00
31_V	67_V	0.726	1.00
153_C	177_E	0.725	1.00
175_V	308_A	0.721	1.00
306_Y	310_V	0.716	1.00
80_E	112_E	0.714	1.00
31_V	53_T	0.713	1.00
13_I	73_T	0.712	1.00
99_L	123_V	0.711	1.00
141_D	186_N	0.711	1.00
280_Y	283_E	0.709	1.00
127_R	130_D	0.708	1.00
181_L	217_T	0.707	1.00
61_L	64_D	0.705	1.00
14_G	19_N	0.704	1.00
292_Q	295_G	0.702	1.00
8_I	34_T	0.702	1.00
172_D	229_V	0.702	1.00
79_H	95_C	0.702	1.00
214_V	222_V	0.700	1.00
174_L	227_I	0.698	1.00
290_S	298_S	0.698	1.00
18_I	30_I	0.697	1.00
209_D	230_N	0.694	1.00
134_V	282_V	0.693	1.00
6_G	70_V	0.692	1.00
290_S	296_E	0.690	1.00
123_V	305_G	0.689	1.00
133_Y	180_V	0.685	1.00
154_A	226_E	0.682	1.00
84_L	87_I	0.681	1.00
302_A	305_G	0.679	1.00
242_V	247_I	0.675	1.00
194_V	213_V	0.674	1.00
304_D	307_I	0.672	1.00
156_R	226_E	0.672	1.00
147_E	245_D	0.671	1.00
185_V	217_T	0.670	1.00
197_P	216_E	0.669	1.00
81_S	108_R	0.669	1.00
87_I	109_I	0.668	1.00
5_I	288_I	0.666	1.00
150_M	222_V	0.666	1.00
309_A	313_D	0.663	1.00
90_Q	118_K	0.661	1.00
213_V	225_A	0.659	1.00
128_R	183_W	0.657	1.00
10_T	41_A	0.656	1.00
44_V	47_Q	0.654	1.00
37_N	42_Q	0.648	1.00
95_C	123_V	0.647	1.00
94_F	122_Q	0.646	1.00
263_R	266_T	0.646	1.00
15_K	19_N	0.644	1.00
97_K	176_H	0.637	1.00
69_A	291_I	0.637	1.00
83_V	121_V	0.637	1.00
137_K	184_L	0.634	1.00
217_T	221_I	0.633	1.00
4_R	66_N	0.632	1.00
260_K	264_F	0.632	1.00
182_H	311_T	0.631	1.00
174_L	177_E	0.631	1.00
191_S	195_I	0.630	1.00
170_V	211_Q	0.627	1.00
140_L	241_I	0.626	1.00
260_K	265_S	0.624	1.00
5_I	71_L	0.624	1.00
125_F	308_A	0.623	1.00
18_I	44_V	0.618	1.00
216_E	222_V	0.616	1.00
286_D	298_S	0.615	1.00
195_I	214_V	0.614	1.00
125_F	179_D	0.614	1.00
179_D	308_A	0.613	1.00
44_V	48_Y	0.612	1.00
176_H	179_D	0.610	1.00
126_M	280_Y	0.608	1.00
15_K	40_A	0.607	1.00
153_C	181_L	0.607	1.00
194_V	211_Q	0.604	1.00
70_V	91_K	0.603	1.00
155_H	173_T	0.598	1.00
179_D	183_W	0.596	1.00
14_G	44_V	0.596	1.00
122_Q	286_D	0.595	1.00
59_D	81_S	0.595	1.00
184_L	241_I	0.593	1.00
136_L	184_L	0.590	1.00
139_A	258_L	0.590	1.00
208_K	316_V	0.590	1.00
228_Y	231_C	0.589	1.00
33_V	54_V	0.588	1.00
55_Y	65_E	0.588	1.00
289_D	292_Q	0.587	1.00
72_V	79_H	0.587	1.00
15_K	48_Y	0.587	1.00
91_K	118_K	0.587	1.00
182_H	187_D	0.585	1.00
58_D	86_A	0.583	1.00
210_P	228_Y	0.580	1.00
193_Q	216_E	0.580	1.00
214_V	224_N	0.579	1.00
28_A	69_A	0.577	1.00
178_I	315_C	0.576	1.00
71_L	94_F	0.576	1.00
81_S	84_L	0.573	1.00
308_A	312_T	0.572	1.00
170_V	213_V	0.571	1.00
11_G	14_G	0.570	1.00
11_G	73_T	0.569	1.00
13_I	96_E	0.567	1.00
261_E	264_F	0.567	1.00
34_T	55_Y	0.567	1.00
15_K	44_V	0.567	1.00
200_S	209_D	0.564	1.00
110_V	113_E	0.562	1.00
127_R	179_D	0.561	1.00
134_V	183_W	0.559	1.00
17_H	21_I	0.557	1.00
312_T	316_V	0.556	1.00
215_I	225_A	0.555	1.00
143_H	243_G	0.555	1.00
77_P	101_T	0.552	1.00
144_V	147_E	0.551	1.00
140_L	184_L	0.550	1.00
36_V	74_S	0.550	1.00
12_A	16_E	0.549	1.00
68_D	292_Q	0.546	1.00
96_E	124_G	0.542	1.00
196_Y	211_Q	0.541	1.00
73_T	96_E	0.540	1.00
122_Q	283_E	0.539	1.00
150_M	242_V	0.539	1.00
278_A	281_D	0.538	1.00
150_M	224_N	0.537	1.00
102_T	313_D	0.535	1.00
97_K	172_D	0.534	1.00
88_K	108_R	0.533	1.00
83_V	113_E	0.531	1.00
17_H	73_T	0.530	1.00
131_S	282_V	0.528	1.00
181_L	225_A	0.528	1.00
99_L	109_I	0.527	1.00
210_P	226_E	0.527	1.00
171_V	313_D	0.525	1.00
7_V	71_L	0.524	1.00
7_V	30_I	0.521	1.00
3_L	28_A	0.521	1.00
212_I	226_E	0.520	1.00
32_A	53_T	0.520	1.00
104_E	313_D	0.518	1.00
74_S	79_H	0.517	1.00
46_E	54_V	0.517	1.00
123_V	176_H	0.516	1.00
137_K	186_N	0.515	1.00
59_D	89_A	0.511	1.00
259_R	264_F	0.510	1.00
33_V	41_A	0.510	1.00
10_T	44_V	0.510	1.00
134_V	137_K	0.509	1.00
169_A	173_T	0.507	1.00
182_H	189_Y	0.506	1.00
249_K	259_R	0.504	1.00
192_V	311_T	0.504	1.00
129_Y	300_P	0.503	1.00
34_T	56_P	0.501	1.00
150_M	210_P	0.500	1.00
19_N	22_T	0.500	1.00
148_P	221_I	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
3mz0A	4	0.9709	100	0.172	Contact Map
4miyA	4	0.9709	100	0.181	Contact Map
3ec7A	6	0.9651	100	0.183	Contact Map
1h6dA	8	0.9651	100	0.197	Contact Map
3ceaA	4	0.9448	100	0.208	Contact Map
3ezyA	4	0.9477	100	0.213	Contact Map
4mkxA	4	0.9448	100	0.214	Contact Map
3euwA	4	0.9419	100	0.216	Contact Map
1zh8A	2	0.9012	100	0.217	Contact Map
3moiA	2	0.9302	100	0.22	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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