IOLX - BACSU - GREMLIN Contacts

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IOLX - scyllo-inositol 2-dehydrogenase (NAD(+))

UniProt:	P40332	Sequences: MEHQVRCAVLGLGRLGYYHAKNLVTSVPGAKLVCVGDPLKGRAEQVARELGIEKWSEDPYEVLEDPGIDAVIIVTPTSTHGDMIIKAAENGKQIFVEKPLTLSLEESKAASEKVKETGVICQVGFMRRFDPAYADAKRRIDAGEIGKPIYYKGFTRDQGAPPAEFIKHSGGIFIDCSIHDYDIARYLLGAEITSVSGHGRILNNPFMEQYGDVDQALTYIEFDSGAAGDVEASRTSPYGHDIRAEVIGTEGSIFIGTLRHQHVTILSAKGSSFDIIPDFQTRFHEAYCLELQHFAECVRNGKTPIVTDIDATINLEVGIAATNSFRNGMPVQLDVKRAYTGM	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	342 (311)
Sequences:	25722 (19227)
Seq/√Len:	1090.2

ECOLI - YCJS YDGJ YGJR YHHX YJHC YCEM
BACSU - IOLX YRBE IOLG YFII NTDC IOLW YULF YTET
SULSO - Q97UH0 Q97UJ6 Q97UK0 Q97UK3 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
60_Y	86_K	3.090	1.00
81_G	109_A	2.809	1.00
128_R	182_D	2.796	1.00
85_I	113_K	2.769	1.00
6_R	31_K	2.700	1.00
194_S	221_E	2.674	1.00
147_K	249_T	2.662	1.00
40_K	44_E	2.633	1.00
135_D	138_R	2.629	1.00
89_E	113_K	2.597	1.00
108_K	312_T	2.580	1.00
193_T	223_D	2.419	1.00
85_I	89_E	2.396	1.00
75_T	83_M	2.393	1.00
8_A	62_V	2.354	1.00
81_G	106_E	2.354	1.00
85_I	109_A	2.347	1.00
137_K	141_D	2.334	1.00
93_Q	120_I	2.294	1.00
218_T	321_A	2.197	1.00
88_A	119_V	2.194	1.00
34_C	56_S	2.169	1.00
58_D	61_E	2.134	1.00
138_R	142_A	2.126	1.00
79_T	83_M	2.089	1.00
323_N	327_N	2.075	1.00
296_E	300_N	2.037	1.00
112_E	116_E	2.030	1.00
81_G	85_I	1.975	1.00
84_I	96_V	1.944	1.00
135_D	139_R	1.939	1.00
115_K	309_I	1.931	1.00
29_G	299_R	1.916	1.00
17_Y	49_E	1.911	1.00
70_A	294_F	1.877	1.00
88_A	114_V	1.849	1.00
113_K	117_T	1.842	1.00
108_K	112_E	1.839	1.00
108_K	316_E	1.823	1.00
82_D	86_K	1.823	1.00
44_E	48_R	1.822	1.00
75_T	79_T	1.811	1.00
54_K	65_D	1.775	1.00
93_Q	119_V	1.766	1.00
89_E	117_T	1.754	1.00
8_A	68_I	1.740	1.00
145_I	248_G	1.710	1.00
104_L	319_I	1.695	1.00
39_L	42_R	1.693	1.00
222_F	228_G	1.684	1.00
71_V	87_A	1.677	1.00
7_C	70_A	1.675	1.00
30_A	295_A	1.674	1.00
84_I	110_A	1.654	1.00
103_S	106_E	1.642	1.00
63_L	87_A	1.603	1.00
68_I	92_K	1.590	1.00
57_E	61_E	1.578	1.00
121_C	308_D	1.575	1.00
191_E	313_I	1.573	1.00
23_L	72_I	1.561	1.00
64_E	90_N	1.557	1.00
124_G	290_E	1.528	1.00
89_E	116_E	1.515	1.00
136_A	253_I	1.513	1.00
193_T	221_E	1.510	1.00
137_K	186_Y	1.509	1.00
199_G	325_F	1.509	1.00
313_I	316_E	1.498	1.00
120_I	301_G	1.487	1.00
139_R	144_E	1.484	1.00
59_P	86_K	1.481	1.00
45_Q	49_E	1.462	1.00
111_S	308_D	1.455	1.00
111_S	312_T	1.443	1.00
27_V	292_Q	1.433	1.00
191_E	223_D	1.432	1.00
113_K	116_E	1.432	1.00
102_L	106_E	1.429	1.00
61_E	64_E	1.426	1.00
81_G	110_A	1.420	1.00
56_S	65_D	1.415	1.00
185_R	191_E	1.409	1.00
149_I	249_T	1.396	1.00
60_Y	64_E	1.386	1.00
40_K	57_E	1.381	1.00
88_A	117_T	1.373	1.00
86_K	89_E	1.361	1.00
152_K	245_E	1.359	1.00
188_L	226_A	1.346	1.00
185_R	313_I	1.346	1.00
6_R	33_V	1.345	1.00
56_S	62_V	1.337	1.00
101_T	107_S	1.333	1.00
101_T	110_A	1.331	1.00
43_A	55_W	1.321	1.00
245_E	254_F	1.308	1.00
61_E	65_D	1.296	1.00
296_E	302_K	1.291	1.00
6_R	69_D	1.274	1.00
107_S	312_T	1.272	1.00
293_H	297_C	1.267	1.00
104_L	316_E	1.263	1.00
86_K	90_N	1.261	1.00
104_L	108_K	1.260	1.00
198_H	221_E	1.253	1.00
12_L	35_V	1.244	1.00
36_G	59_P	1.235	1.00
145_I	251_G	1.234	1.00
45_Q	48_R	1.200	1.00
73_I	83_M	1.196	1.00
185_R	222_F	1.196	1.00
181_Y	317_V	1.195	1.00
192_I	222_F	1.192	1.00
148_P	246_V	1.189	1.00
293_H	305_I	1.182	1.00
73_I	84_I	1.180	1.00
41_G	44_E	1.180	1.00
87_A	94_I	1.176	1.00
91_G	117_T	1.174	1.00
109_A	112_E	1.173	1.00
152_K	231_E	1.167	1.00
36_G	62_V	1.164	1.00
111_S	309_I	1.153	1.00
47_A	55_W	1.153	1.00
243_R	254_F	1.147	1.00
62_V	68_I	1.141	1.00
59_P	83_M	1.141	1.00
100_L	107_S	1.130	1.00
29_G	292_Q	1.126	1.00
88_A	113_K	1.126	1.00
66_P	92_K	1.126	1.00
307_T	310_D	1.125	1.00
5_V	299_R	1.107	1.00
7_C	30_A	1.104	1.00
292_Q	296_E	1.102	1.00
76_P	79_T	1.098	1.00
319_I	323_N	1.096	1.00
95_F	124_G	1.090	1.00
34_C	62_V	1.089	1.00
156_R	159_G	1.089	1.00
95_F	290_E	1.081	1.00
5_V	70_A	1.076	1.00
59_P	63_L	1.074	1.00
323_N	326_R	1.071	1.00
295_A	299_R	1.071	1.00
196_S	219_Y	1.067	1.00
109_A	113_K	1.066	1.00
112_E	115_K	1.063	1.00
93_Q	301_G	1.057	1.00
185_R	310_D	1.055	1.00
320_A	323_N	1.052	1.00
139_R	142_A	1.048	1.00
184_A	228_G	1.047	1.00
111_S	115_K	1.044	1.00
67_G	92_K	1.043	1.00
107_S	315_L	1.043	1.00
63_L	86_K	1.042	1.00
133_Y	186_Y	1.037	1.00
151_Y	188_L	1.028	1.00
5_V	298_V	1.022	1.00
34_C	68_I	1.019	1.00
85_I	110_A	1.018	1.00
293_H	302_K	1.007	1.00
138_R	141_D	1.006	1.00
145_I	253_I	1.000	1.00
10_L	83_M	0.996	1.00
106_E	109_A	0.992	1.00
151_Y	228_G	0.989	1.00
96_V	121_C	0.987	1.00
154_F	158_Q	0.975	1.00
43_A	57_E	0.974	1.00
26_S	288_C	0.972	1.00
63_L	90_N	0.971	1.00
129_F	293_H	0.968	1.00
101_T	106_E	0.965	1.00
29_G	296_E	0.961	1.00
105_E	108_K	0.955	1.00
320_A	324_S	0.954	1.00
293_H	296_E	0.950	1.00
93_Q	298_V	0.948	1.00
155_T	159_G	0.948	1.00
128_R	310_D	0.947	1.00
42_R	45_Q	0.946	1.00
288_C	292_Q	0.937	1.00
65_D	68_I	0.937	1.00
148_P	248_G	0.936	1.00
289_L	292_Q	0.929	1.00
296_E	301_G	0.922	1.00
136_A	255_I	0.922	1.00
110_A	121_C	0.918	1.00
100_L	308_D	0.918	1.00
134_A	305_I	0.915	1.00
19_H	72_I	0.914	1.00
126_M	286_A	0.913	1.00
254_F	264_T	0.911	1.00
83_M	86_K	0.910	1.00
145_I	148_P	0.909	1.00
56_S	61_E	0.909	1.00
105_E	109_A	0.907	1.00
155_T	158_Q	0.906	1.00
84_I	94_I	0.902	1.00
148_P	188_L	0.899	1.00
192_I	220_I	0.893	1.00
43_A	47_A	0.891	1.00
309_I	313_I	0.890	1.00
104_L	312_T	0.890	1.00
12_L	37_D	0.889	1.00
35_V	46_V	0.881	1.00
100_L	121_C	0.881	1.00
44_E	55_W	0.877	1.00
144_E	267_S	0.876	1.00
322_T	326_R	0.872	1.00
122_Q	294_F	0.871	1.00
81_G	101_T	0.870	1.00
21_K	49_E	0.868	1.00
198_H	227_A	0.865	1.00
114_V	117_T	0.855	1.00
72_I	291_L	0.849	1.00
217_L	229_D	0.848	1.00
41_G	45_Q	0.848	1.00
19_H	22_N	0.844	1.00
40_K	43_A	0.842	1.00
44_E	47_A	0.838	1.00
96_V	100_L	0.838	1.00
37_D	43_A	0.836	1.00
79_T	82_D	0.835	1.00
88_A	94_I	0.831	1.00
73_I	87_A	0.826	1.00
108_K	111_S	0.823	1.00
181_Y	318_G	0.823	1.00
316_E	320_A	0.821	1.00
267_S	270_G	0.820	1.00
33_V	67_G	0.816	1.00
146_G	251_G	0.813	1.00
40_K	55_W	0.812	1.00
102_L	169_S	0.808	1.00
146_G	248_G	0.807	1.00
120_I	298_V	0.807	1.00
8_A	34_C	0.805	1.00
152_K	229_D	0.805	1.00
8_A	36_G	0.804	1.00
77_T	175_D	0.803	1.00
151_Y	246_V	0.803	1.00
114_V	121_C	0.801	1.00
84_I	88_A	0.799	1.00
192_I	317_V	0.799	1.00
167_K	211_G	0.798	1.00
297_C	300_N	0.796	1.00
170_G	174_I	0.795	1.00
140_I	248_G	0.791	1.00
96_V	110_A	0.790	1.00
31_K	53_E	0.790	1.00
245_E	252_S	0.785	1.00
297_C	302_K	0.784	1.00
153_G	244_A	0.783	1.00
37_D	42_R	0.780	1.00
114_V	119_V	0.779	1.00
197_G	321_A	0.778	1.00
7_C	23_L	0.776	1.00
134_A	138_R	0.776	1.00
172_I	232_A	0.773	1.00
196_S	324_S	0.773	1.00
297_C	304_P	0.773	1.00
120_I	297_C	0.773	1.00
65_D	92_K	0.772	1.00
185_R	314_N	0.772	1.00
27_V	30_A	0.771	1.00
21_K	26_S	0.768	1.00
17_Y	45_Q	0.764	1.00
107_S	111_S	0.760	1.00
6_R	68_I	0.759	1.00
122_Q	297_C	0.753	1.00
151_Y	184_A	0.753	1.00
10_L	75_T	0.751	1.00
15_L	74_V	0.750	1.00
54_K	67_G	0.749	1.00
303_T	307_T	0.748	1.00
243_R	256_G	0.748	1.00
47_A	52_I	0.746	1.00
10_L	59_P	0.746	1.00
16_G	74_V	0.745	1.00
220_I	228_G	0.744	1.00
70_A	93_Q	0.742	1.00
147_K	224_S	0.739	1.00
192_I	223_D	0.736	1.00
19_H	291_L	0.736	1.00
29_G	295_A	0.736	1.00
114_V	308_D	0.736	1.00
46_V	49_E	0.732	1.00
23_L	291_L	0.730	1.00
171_G	213_V	0.728	1.00
88_A	121_C	0.728	1.00
312_T	316_E	0.727	1.00
250_E	268_A	0.723	1.00
153_G	180_D	0.722	1.00
123_V	311_A	0.718	1.00
141_D	189_G	0.717	1.00
33_V	68_I	0.717	1.00
294_F	298_V	0.714	1.00
184_A	222_F	0.714	1.00
198_H	219_Y	0.708	1.00
9_V	20_A	0.703	1.00
33_V	65_D	0.703	1.00
125_F	178_I	0.703	1.00
100_L	123_V	0.702	1.00
19_H	23_L	0.702	1.00
173_F	318_G	0.697	1.00
219_Y	227_A	0.696	1.00
62_V	65_D	0.695	1.00
127_R	130_D	0.694	1.00
8_A	71_V	0.694	1.00
80_H	96_V	0.685	1.00
178_I	314_N	0.682	1.00
15_L	287_Y	0.681	1.00
175_D	234_R	0.680	1.00
154_F	157_D	0.678	1.00
293_H	304_P	0.678	1.00
81_G	113_K	0.678	1.00
12_L	43_A	0.676	1.00
133_Y	183_I	0.675	1.00
213_V	322_T	0.675	1.00
188_L	222_F	0.674	1.00
267_S	271_S	0.673	1.00
308_D	311_A	0.672	1.00
134_A	289_L	0.671	1.00
88_A	110_A	0.670	1.00
10_L	36_G	0.669	1.00
147_K	250_E	0.669	1.00
267_S	272_S	0.668	1.00
177_S	180_D	0.667	1.00
194_S	198_H	0.667	1.00
150_Y	227_A	0.664	1.00
16_G	21_K	0.661	1.00
23_L	30_A	0.659	1.00
200_R	221_E	0.657	1.00
214_D	235_T	0.655	1.00
315_L	319_I	0.655	1.00
247_I	252_S	0.652	1.00
287_Y	290_E	0.651	1.00
6_R	67_G	0.651	1.00
218_T	230_V	0.650	1.00
82_D	109_A	0.649	1.00
91_G	119_V	0.649	1.00
177_S	232_A	0.646	1.00
85_I	88_A	0.646	1.00
7_C	295_A	0.644	1.00
96_V	123_V	0.643	1.00
128_R	186_Y	0.643	1.00
15_L	19_H	0.642	1.00
137_K	187_L	0.639	1.00
154_F	159_G	0.638	1.00
33_V	54_K	0.638	1.00
221_E	227_A	0.637	1.00
310_D	313_I	0.636	1.00
158_Q	161_P	0.635	1.00
222_F	226_A	0.635	1.00
92_K	119_V	0.633	1.00
95_F	122_Q	0.631	1.00
20_A	32_L	0.629	1.00
233_S	236_S	0.625	1.00
125_F	182_D	0.624	1.00
7_C	72_I	0.623	1.00
182_D	314_N	0.622	1.00
70_A	298_V	0.621	1.00
98_K	179_H	0.621	1.00
173_F	216_A	0.621	1.00
202_L	214_D	0.621	1.00
39_L	44_E	0.620	1.00
46_V	50_L	0.619	1.00
191_E	316_E	0.618	1.00
125_F	314_N	0.617	1.00
182_D	186_Y	0.616	1.00
203_N	214_D	0.614	1.00
187_L	246_V	0.610	1.00
120_I	303_T	0.610	1.00
185_R	317_V	0.609	1.00
197_G	218_T	0.609	1.00
179_H	182_D	0.608	1.00
17_Y	42_R	0.605	1.00
126_M	287_Y	0.605	1.00
84_I	121_C	0.604	1.00
27_V	295_A	0.603	1.00
140_I	246_V	0.602	1.00
56_S	66_P	0.602	1.00
71_V	92_K	0.601	1.00
14_R	18_Y	0.600	1.00
17_Y	50_L	0.600	1.00
157_D	160_A	0.592	1.00
122_Q	293_H	0.591	1.00
17_Y	21_K	0.591	1.00
215_Q	233_S	0.590	1.00
60_Y	82_D	0.590	1.00
153_G	184_A	0.587	1.00
181_Y	321_A	0.583	1.00
263_V	266_L	0.580	1.00
59_P	87_A	0.573	1.00
199_G	216_A	0.573	1.00
219_Y	229_D	0.573	1.00
314_N	318_G	0.572	1.00
148_P	226_A	0.567	1.00
72_I	95_F	0.566	1.00
82_D	85_I	0.565	1.00
150_Y	247_I	0.561	1.00
220_I	230_V	0.558	1.00
69_D	299_R	0.557	1.00
197_G	216_A	0.557	1.00
196_S	221_E	0.557	1.00
184_A	230_V	0.556	1.00
73_I	80_H	0.555	1.00
127_R	182_D	0.555	1.00
140_I	187_L	0.554	1.00
16_G	46_V	0.554	1.00
35_V	55_W	0.550	1.00
134_A	186_Y	0.548	1.00
136_A	187_L	0.547	1.00
38_P	75_T	0.547	1.00
13_G	74_V	0.547	1.00
30_A	70_A	0.547	1.00
159_G	162_P	0.546	1.00
17_Y	46_V	0.546	1.00
15_L	97_E	0.543	1.00
144_E	147_K	0.542	1.00
160_A	164_E	0.540	1.00
267_S	273_F	0.540	1.00
5_V	30_A	0.536	1.00
122_Q	290_E	0.535	1.00
84_I	114_V	0.535	1.00
173_F	218_T	0.533	1.00
318_G	322_T	0.531	1.00
103_S	319_I	0.531	1.00
296_E	299_R	0.530	1.00
78_S	102_L	0.529	1.00
111_S	114_V	0.528	1.00
266_L	271_S	0.527	1.00
156_R	161_P	0.527	1.00
174_I	319_I	0.525	1.00
12_L	46_V	0.524	1.00
21_K	25_T	0.523	1.00
20_A	46_V	0.522	1.00
155_T	160_A	0.522	1.00
270_G	273_F	0.521	1.00
89_E	109_A	0.519	1.00
36_G	56_S	0.518	1.00
156_R	160_A	0.518	1.00
120_I	294_F	0.516	1.00
10_L	73_I	0.514	1.00
143_G	147_K	0.510	1.00
75_T	80_H	0.510	1.00
36_G	57_E	0.509	1.00
159_G	163_A	0.509	1.00
97_E	124_G	0.508	1.00
172_I	213_V	0.507	1.00
9_V	72_I	0.507	1.00
74_V	97_E	0.506	1.00
151_Y	244_A	0.505	1.00
19_H	97_E	0.505	1.00
131_P	289_L	0.504	1.00
13_G	16_G	0.504	1.00
48_R	55_W	0.503	1.00
9_V	32_L	0.503	1.00
169_S	212_D	0.503	1.00
129_F	306_V	0.502	1.00
35_V	43_A	0.501	1.00
285_E	288_C	0.500	1.00
200_R	215_Q	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
3euwA	4	0.9678	100	0.202	Contact Map
4mkxA	4	0.9737	100	0.205	Contact Map
1h6dA	8	0.9883	100	0.209	Contact Map
3ceaA	4	0.9795	100	0.21	Contact Map
3ezyA	4	0.9737	100	0.214	Contact Map
3dtyA	4	0.962	100	0.224	Contact Map
2nvwA	3	0.9444	100	0.224	Contact Map
3v5nA	4	0.9181	100	0.225	Contact Map
3db2A	2	0.9591	100	0.23	Contact Map
1zh8A	2	0.9181	100	0.231	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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