IOLW - BACSU - GREMLIN Contacts

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IOLW - scyllo-inositol 2-dehydrogenase (NADP(+))

UniProt:	O32223	Sequences: MITLLKGRRKVDTIKVGILGYGLSGSVFHGPLLDVLDEYQISKIMTSRTEEVKRDFPDAEVVHELEEITNDPAIELVIVTTPSGLHYEHTMACIQAGKHVVMEKPMTATAEEGETLKRAADEKGVLLSVYHNRRWDNDFLTIKKLISEGSLEDINTYQVSYNRYRPEVQARWREKEGTATGTLYDLGSHIIDQTLHLFGMPKAVTANVMAQRENAETVDYFHLTLDYGKLQAILYGGSIVPANGPRYQIHGKDSSFIKYGIDGQEDALRAGRKPEDDSWGADVPEFYGKLTTIRGSDKKTETIPSVNGSYLTYYRKIAESIREGAALPVTAEEGINVIRIIEAAMESSKEKRTIMLEH	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	358 (315)
Sequences:	25021 (18646)
Seq/√Len:	1050.6

ECOLI - YDGJ YHHX YCJS YGJR YJHC YCEM
BACSU - IOLW YRBE YFII IOLX NTDC YULF IOLG YTET
SULSO - Q97UH0 Q97UK3 Q97UJ6 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
66_E	92_A	3.092	1.00
134_R	192_D	2.868	1.00
91_M	119_A	2.857	1.00
15_K	40_Q	2.822	1.00
87_Y	115_T	2.772	1.00
203_A	226_D	2.772	1.00
141_T	144_K	2.745	1.00
114_E	335_I	2.685	1.00
153_D	252_K	2.679	1.00
95_Q	119_A	2.613	1.00
49_T	53_K	2.601	1.00
81_T	89_H	2.409	1.00
17_G	68_I	2.405	1.00
143_K	147_S	2.400	1.00
87_Y	112_E	2.398	1.00
91_M	95_Q	2.368	1.00
91_M	115_T	2.353	1.00
99_H	126_L	2.317	1.00
94_I	125_V	2.300	1.00
223_L	344_A	2.289	1.00
346_E	350_E	2.216	1.00
64_E	67_E	2.184	1.00
85_L	89_H	2.129	1.00
13_T	40_Q	2.111	1.00
43_K	62_V	2.109	1.00
118_R	122_E	2.085	1.00
121_D	332_E	2.055	1.00
144_K	148_E	2.039	1.00
319_E	323_E	2.021	1.00
87_Y	91_M	1.973	1.00
141_T	145_L	1.963	1.00
60_E	71_D	1.960	1.00
94_I	120_A	1.949	1.00
76_L	317_I	1.938	1.00
90_T	102_M	1.935	1.00
114_E	339_R	1.930	1.00
114_E	118_R	1.903	1.00
119_A	123_K	1.901	1.00
88_E	92_A	1.848	1.00
81_T	85_L	1.827	1.00
17_G	74_I	1.816	1.00
151_L	251_G	1.773	1.00
95_Q	123_K	1.766	1.00
99_H	125_V	1.758	1.00
48_R	51_E	1.724	1.00
16_V	76_L	1.711	1.00
33_L	78_I	1.708	1.00
227_Y	232_A	1.706	1.00
110_A	342_E	1.699	1.00
77_V	93_C	1.691	1.00
109_T	112_E	1.665	1.00
90_T	116_L	1.657	1.00
74_I	98_K	1.647	1.00
202_K	226_D	1.644	1.00
127_L	331_A	1.633	1.00
63_H	67_E	1.630	1.00
39_Y	318_A	1.629	1.00
36_L	315_R	1.618	1.00
200_M	336_N	1.604	1.00
142_I	256_F	1.598	1.00
70_N	96_A	1.586	1.00
69_T	93_C	1.577	1.00
95_Q	122_E	1.572	1.00
38_E	322_R	1.561	1.00
208_V	348_S	1.557	1.00
130_Y	313_Y	1.554	1.00
126_L	324_G	1.550	1.00
143_K	196_H	1.546	1.00
336_N	339_R	1.528	1.00
65_L	92_A	1.494	1.00
117_K	335_I	1.486	1.00
117_K	331_A	1.470	1.00
195_L	200_M	1.468	1.00
145_L	150_S	1.465	1.00
108_A	112_E	1.454	1.00
155_N	252_K	1.451	1.00
67_E	70_N	1.450	1.00
87_Y	116_L	1.442	1.00
119_A	122_E	1.435	1.00
49_T	63_H	1.412	1.00
66_E	70_N	1.412	1.00
158_Q	248_Q	1.410	1.00
62_V	71_D	1.401	1.00
107_T	116_L	1.394	1.00
198_F	230_L	1.390	1.00
94_I	123_K	1.388	1.00
15_K	75_E	1.371	1.00
62_V	68_I	1.348	1.00
92_A	95_Q	1.347	1.00
26_S	55_D	1.346	1.00
107_T	113_G	1.343	1.00
15_K	42_S	1.337	1.00
151_L	254_S	1.336	1.00
201_P	227_Y	1.325	1.00
316_K	320_S	1.320	1.00
92_A	96_A	1.318	1.00
319_E	325_A	1.317	1.00
195_L	336_N	1.303	1.00
248_Q	257_I	1.303	1.00
113_G	335_I	1.294	1.00
207_N	226_D	1.291	1.00
110_A	114_E	1.282	1.00
21_Y	44_I	1.276	1.00
52_V	61_V	1.267	1.00
110_A	339_R	1.257	1.00
79_V	89_H	1.256	1.00
45_M	65_L	1.254	1.00
154_I	249_I	1.252	1.00
191_I	340_I	1.239	1.00
84_G	178_T	1.235	1.00
115_T	118_R	1.230	1.00
45_M	68_I	1.222	1.00
93_C	100_V	1.214	1.00
79_V	90_T	1.209	1.00
65_L	89_H	1.206	1.00
195_L	227_Y	1.201	1.00
316_K	328_P	1.194	1.00
72_P	98_K	1.183	1.00
97_G	123_K	1.181	1.00
68_I	74_I	1.178	1.00
175_K	178_T	1.169	1.00
145_L	148_E	1.168	1.00
246_R	257_I	1.167	1.00
94_I	119_A	1.159	1.00
117_K	332_E	1.157	1.00
158_Q	235_Y	1.151	1.00
330_T	333_E	1.150	1.00
50_E	53_K	1.149	1.00
73_A	98_K	1.147	1.00
82_P	85_L	1.144	1.00
346_E	349_K	1.142	1.00
43_K	68_I	1.142	1.00
118_R	121_D	1.135	1.00
106_M	113_G	1.128	1.00
16_V	39_Y	1.127	1.00
315_R	319_E	1.124	1.00
205_T	224_T	1.123	1.00
99_H	324_G	1.118	1.00
14_I	76_L	1.109	1.00
139_F	196_H	1.107	1.00
113_G	338_I	1.103	1.00
194_T	232_A	1.102	1.00
91_M	116_L	1.098	1.00
157_Y	198_F	1.097	1.00
67_E	71_D	1.093	1.00
195_L	333_E	1.093	1.00
115_T	119_A	1.091	1.00
35_V	311_L	1.088	1.00
342_E	346_E	1.077	1.00
65_L	69_T	1.075	1.00
112_E	115_T	1.071	1.00
69_T	96_A	1.070	1.00
69_T	92_A	1.067	1.00
318_A	322_R	1.064	1.00
101_V	130_Y	1.059	1.00
151_L	256_F	1.051	1.00
343_A	346_E	1.047	1.00
101_V	313_Y	1.045	1.00
151_L	154_I	1.043	1.00
117_K	121_D	1.041	1.00
316_K	325_A	1.040	1.00
29_H	78_I	1.038	1.00
51_E	54_R	1.035	1.00
43_K	74_I	1.027	1.00
102_M	127_L	1.024	1.00
19_L	89_H	1.023	1.00
14_I	321_I	1.019	1.00
107_T	112_E	1.018	1.00
157_Y	232_A	1.009	1.00
99_H	321_I	1.008	1.00
134_R	333_E	1.000	1.00
144_K	147_S	0.992	1.00
116_L	127_L	0.989	1.00
135_W	316_K	0.986	1.00
14_I	322_R	0.981	1.00
140_L	328_P	0.975	1.00
71_D	74_I	0.971	1.00
106_M	331_A	0.970	1.00
31_P	35_V	0.960	1.00
319_E	324_G	0.959	1.00
111_E	114_E	0.955	1.00
90_T	100_V	0.951	1.00
52_V	63_H	0.947	1.00
316_K	319_E	0.946	1.00
142_I	258_K	0.941	1.00
89_H	92_A	0.940	1.00
120_A	123_K	0.936	1.00
62_V	67_E	0.932	1.00
111_E	115_T	0.932	1.00
110_A	335_I	0.930	1.00
154_I	198_F	0.927	1.00
311_L	315_R	0.927	1.00
201_P	225_L	0.924	1.00
13_T	38_E	0.923	1.00
126_L	321_I	0.920	1.00
60_E	73_A	0.911	1.00
128_S	317_I	0.907	1.00
94_I	100_V	0.899	1.00
87_Y	107_T	0.898	1.00
343_A	347_S	0.895	1.00
132_N	309_S	0.893	1.00
154_I	251_G	0.892	1.00
312_T	315_R	0.891	1.00
332_E	336_N	0.891	1.00
79_V	93_C	0.889	1.00
21_Y	46_T	0.880	1.00
106_M	127_L	0.880	1.00
78_I	314_Y	0.877	1.00
191_I	341_I	0.871	1.00
90_T	94_I	0.868	1.00
53_K	61_V	0.864	1.00
152_E	254_S	0.863	1.00
206_A	344_A	0.860	1.00
222_H	233_I	0.860	1.00
207_N	231_Q	0.858	1.00
71_D	98_K	0.857	1.00
157_Y	249_I	0.857	1.00
29_H	314_Y	0.856	1.00
201_P	340_I	0.849	1.00
85_L	88_E	0.849	1.00
102_M	106_M	0.847	1.00
120_A	127_L	0.845	1.00
17_G	43_K	0.843	1.00
176_E	216_E	0.841	1.00
140_L	144_K	0.838	1.00
114_E	117_K	0.837	1.00
320_S	323_E	0.837	1.00
49_T	61_V	0.835	1.00
42_S	60_E	0.834	1.00
16_V	33_L	0.833	1.00
176_E	349_K	0.832	1.00
345_M	349_K	0.832	1.00
49_T	52_V	0.828	1.00
17_G	45_M	0.821	1.00
50_E	54_R	0.818	1.00
248_Q	255_S	0.818	1.00
15_K	74_I	0.818	1.00
339_R	343_A	0.817	1.00
33_L	39_Y	0.815	1.00
102_M	116_L	0.814	1.00
320_S	327_L	0.813	1.00
159_V	247_Y	0.813	1.00
120_A	331_A	0.812	1.00
205_T	347_S	0.812	1.00
33_L	314_Y	0.810	1.00
42_S	73_A	0.809	1.00
94_I	127_L	0.806	1.00
175_K	216_E	0.805	1.00
158_Q	233_I	0.804	1.00
120_A	125_V	0.802	1.00
157_Y	194_T	0.801	1.00
38_E	315_R	0.800	1.00
55_D	58_D	0.799	1.00
128_S	320_S	0.797	1.00
18_I	30_G	0.795	1.00
83_S	185_D	0.795	1.00
25_G	80_T	0.792	1.00
320_S	325_A	0.791	1.00
25_G	31_P	0.787	1.00
108_A	179_A	0.786	1.00
126_L	320_S	0.783	1.00
38_E	319_E	0.782	1.00
19_L	65_L	0.781	1.00
317_I	321_I	0.778	1.00
152_E	251_G	0.776	1.00
181_G	218_V	0.776	1.00
195_L	337_V	0.775	1.00
207_N	224_T	0.767	1.00
30_G	41_I	0.765	1.00
42_S	71_D	0.764	1.00
42_S	74_I	0.762	1.00
225_L	232_A	0.762	1.00
106_M	129_V	0.761	1.00
24_S	310_Y	0.757	1.00
24_S	80_T	0.756	1.00
146_I	251_G	0.756	1.00
182_T	236_G	0.756	1.00
24_S	29_H	0.755	1.00
246_R	259_Y	0.755	1.00
76_L	99_H	0.754	1.00
46_T	52_V	0.750	1.00
198_F	227_Y	0.749	1.00
113_G	117_K	0.748	1.00
87_Y	119_A	0.747	1.00
159_V	190_I	0.742	1.00
19_L	81_T	0.741	1.00
316_K	327_L	0.741	1.00
180_T	184_Y	0.740	1.00
326_A	330_T	0.739	1.00
36_L	39_Y	0.739	1.00
131_H	188_S	0.736	1.00
185_D	238_S	0.735	1.00
194_T	227_Y	0.734	1.00
188_S	337_V	0.734	1.00
46_T	51_E	0.727	1.00
224_T	231_Q	0.727	1.00
26_S	51_E	0.726	1.00
335_I	339_R	0.723	1.00
183_L	341_I	0.718	1.00
129_V	334_G	0.714	1.00
187_G	236_G	0.713	1.00
338_I	342_E	0.713	1.00
202_K	228_G	0.709	1.00
153_D	253_D	0.706	1.00
19_L	45_M	0.704	1.00
147_S	199_G	0.704	1.00
331_A	334_G	0.703	1.00
91_M	94_I	0.698	1.00
209_M	226_D	0.697	1.00
102_M	129_V	0.696	1.00
17_G	77_V	0.695	1.00
140_L	312_T	0.692	1.00
218_V	345_M	0.692	1.00
21_Y	52_V	0.691	1.00
200_M	339_R	0.689	1.00
26_S	54_R	0.684	1.00
88_E	115_T	0.682	1.00
134_R	196_H	0.681	1.00
156_T	231_Q	0.679	1.00
206_A	223_L	0.678	1.00
16_V	318_A	0.677	1.00
86_H	102_M	0.676	1.00
146_I	249_I	0.675	1.00
226_D	231_Q	0.675	1.00
133_R	136_D	0.672	1.00
203_A	207_N	0.672	1.00
94_I	116_L	0.669	1.00
187_G	190_I	0.663	1.00
160_S	246_R	0.663	1.00
15_K	73_A	0.662	1.00
101_V	128_S	0.661	1.00
227_Y	230_L	0.658	1.00
250_H	255_S	0.658	1.00
139_F	193_Q	0.657	1.00
219_D	239_I	0.657	1.00
183_L	221_F	0.656	1.00
97_G	125_V	0.654	1.00
310_Y	313_Y	0.653	1.00
192_D	196_H	0.652	1.00
38_E	318_A	0.651	1.00
197_L	249_I	0.650	1.00
131_H	192_D	0.649	1.00
56_F	59_A	0.649	1.00
192_D	337_V	0.648	1.00
206_A	221_F	0.646	1.00
159_V	194_T	0.646	1.00
143_K	197_L	0.645	1.00
131_H	337_V	0.644	1.00
62_V	72_P	0.643	1.00
165_R	168_V	0.642	1.00
65_L	93_C	0.640	1.00
132_N	310_Y	0.639	1.00
333_E	336_N	0.638	1.00
189_H	192_D	0.636	1.00
68_I	71_D	0.635	1.00
195_L	340_I	0.630	1.00
16_V	78_I	0.630	1.00
76_L	321_I	0.629	1.00
223_L	234_L	0.629	1.00
126_L	326_A	0.626	1.00
78_I	101_V	0.626	1.00
24_S	103_E	0.620	1.00
98_K	125_V	0.620	1.00
160_S	235_Y	0.616	1.00
267_A	270_A	0.613	1.00
77_V	98_K	0.613	1.00
128_S	316_K	0.609	1.00
237_G	240_V	0.609	1.00
31_P	55_D	0.606	1.00
270_A	273_K	0.606	1.00
268_L	271_G	0.603	1.00
133_R	192_D	0.598	1.00
66_E	88_E	0.595	1.00
44_I	52_V	0.594	1.00
225_L	234_L	0.593	1.00
224_T	233_I	0.592	1.00
146_I	197_L	0.591	1.00
184_Y	342_E	0.590	1.00
104_K	185_D	0.590	1.00
177_G	216_E	0.590	1.00
150_S	153_D	0.589	1.00
142_I	197_L	0.588	1.00
90_T	120_A	0.585	1.00
44_I	61_V	0.583	1.00
40_Q	59_A	0.583	1.00
26_S	31_P	0.583	1.00
90_T	127_L	0.583	1.00
36_L	318_A	0.582	1.00
201_P	232_A	0.582	1.00
41_I	58_D	0.580	1.00
194_T	234_L	0.577	1.00
211_Q	219_D	0.576	1.00
220_Y	237_G	0.575	1.00
191_I	344_A	0.574	1.00
47_S	81_T	0.574	1.00
43_K	60_E	0.573	1.00
88_E	91_M	0.573	1.00
95_Q	115_T	0.572	1.00
319_E	322_R	0.570	1.00
117_K	120_A	0.570	1.00
205_T	226_D	0.569	1.00
39_Y	76_L	0.568	1.00
208_V	221_F	0.568	1.00
337_V	341_I	0.567	1.00
79_V	86_H	0.565	1.00
156_T	250_H	0.564	1.00
36_L	311_L	0.562	1.00
29_H	33_L	0.562	1.00
109_T	342_E	0.561	1.00
48_R	53_K	0.560	1.00
29_H	80_T	0.559	1.00
154_I	230_L	0.558	1.00
19_L	77_V	0.556	1.00
128_S	313_Y	0.556	1.00
204_V	340_I	0.556	1.00
149_G	251_G	0.556	1.00
22_G	25_G	0.555	1.00
103_E	130_Y	0.553	1.00
183_L	223_L	0.552	1.00
45_M	62_V	0.552	1.00
137_N	312_T	0.551	1.00
156_T	233_I	0.547	1.00
23_L	28_F	0.541	1.00
80_T	103_E	0.540	1.00
126_L	317_I	0.539	1.00
19_L	79_V	0.539	1.00
140_L	196_H	0.539	1.00
84_G	108_A	0.539	1.00
260_G	263_G	0.537	1.00
22_G	80_T	0.536	1.00
341_I	345_M	0.535	1.00
129_V	189_H	0.534	1.00
149_G	153_D	0.533	1.00
308_G	311_L	0.533	1.00
301_E	304_P	0.532	1.00
31_P	34_D	0.529	1.00
104_K	189_H	0.528	1.00
161_Y	164_Y	0.525	1.00
60_E	72_P	0.523	1.00
111_E	342_E	0.523	1.00
225_L	340_I	0.522	1.00
75_E	322_R	0.521	1.00
181_G	185_D	0.521	1.00
126_L	327_L	0.521	1.00
179_A	217_T	0.520	1.00
327_L	330_T	0.519	1.00
106_M	116_L	0.518	1.00
143_K	199_G	0.518	1.00
221_F	236_G	0.518	1.00
91_M	123_K	0.517	1.00
14_I	318_A	0.516	1.00
81_T	86_H	0.516	1.00
156_T	220_Y	0.516	1.00
66_E	96_A	0.515	1.00
198_F	228_G	0.514	1.00
13_T	322_R	0.514	1.00
340_I	343_A	0.513	1.00
206_A	348_S	0.512	1.00
18_I	78_I	0.512	1.00
45_M	63_H	0.510	1.00
120_A	124_G	0.509	1.00
135_W	329_V	0.508	1.00
18_I	41_I	0.507	1.00
220_Y	235_Y	0.507	1.00
30_G	34_D	0.505	1.00
140_L	143_K	0.505	1.00
153_D	228_G	0.505	1.00
182_T	186_L	0.504	1.00
154_I	157_Y	0.502	1.00
182_T	218_V	0.502	1.00
74_I	77_V	0.500	1.00
101_V	317_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
3gdoA	2	0.9497	100	0.225	Contact Map
3fhlA	2	0.9385	100	0.227	Contact Map
3kuxA	2	0.9693	100	0.23	Contact Map
3e82A	2	0.9525	100	0.236	Contact Map
1h6dA	8	0.9469	100	0.24	Contact Map
1zh8A	2	0.8743	100	0.245	Contact Map
3dtyA	4	0.933	100	0.247	Contact Map
3v5nA	4	0.905	100	0.252	Contact Map
2nvwA	3	0.9246	100	0.255	Contact Map
3f4lA	2	0.9497	100	0.264	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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