NTDC - BACSU - GREMLIN Contacts

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NTDC - Glucose-6-phosphate 3-dehydrogenase

UniProt:	O07564	Sequences: MKKIGIIGAGGIARAHATALSTIKNAELVGVYDINQQNAESFVKTFGGKSFENVDELIDASEGLIVASPNFCHKEHALQALGKHKHVLCEKPMAISLEEASIMKDTAERLSVRASMGFNYRYLSYVNILKSLIINNELGNILSIKVHFKKNSALRRKKFTWRDDANSKKTSGSLGDLGIHLIDMVWYLFESDFITESVRAKMNTNVKTKEDKQVLVDDYAEIYGQLKNKVFVNIITSKCSVPEDCGFSIEVVGHKKEFKYHTGNPHVYKLIDGLNVVDCPVPQSLLNDPPNEFYGWADSFRSELINWIASTQNDWVEIPSFSDGFRSQEVLEMFFEKDSNSQPMSVSAVN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	350 (314)
Sequences:	25394 (18863)
Seq/√Len:	1064.5

ECOLI - YGJR YCJS YHHX YJHC YDGJ YCEM
BACSU - NTDC YRBE YFII IOLX IOLG YULF IOLW YTET
HALSA - Q9HQT1
SULSO - Q97UJ6 Q97UH0 Q97UK3 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
55_D	79_Q	3.151	1.00
74_K	102_I	2.961	1.00
78_L	106_T	2.822	1.00
121_R	183_D	2.815	1.00
82_G	106_T	2.738	1.00
197_S	225_Q	2.690	1.00
36_Q	40_E	2.674	1.00
3_K	27_E	2.646	1.00
140_N	254_H	2.634	1.00
101_S	325_F	2.613	1.00
128_I	131_S	2.604	1.00
68_S	76_H	2.505	1.00
74_K	99_E	2.463	1.00
78_L	82_G	2.462	1.00
5_G	57_L	2.451	1.00
196_E	227_K	2.405	1.00
78_L	102_I	2.402	1.00
86_H	113_R	2.390	1.00
130_K	134_I	2.358	1.00
222_I	334_F	2.280	1.00
336_E	340_N	2.187	1.00
81_L	112_V	2.179	1.00
30_G	51_F	2.171	1.00
72_C	76_H	2.163	1.00
131_S	135_N	2.121	1.00
53_N	56_E	2.107	1.00
309_A	313_N	2.086	1.00
49_K	60_A	2.052	1.00
74_K	78_L	2.038	1.00
128_I	132_L	2.027	1.00
105_D	109_R	2.023	1.00
14_R	45_T	1.991	1.00
77_A	89_C	1.990	1.00
63_G	307_W	1.955	1.00
108_E	322_S	1.919	1.00
75_E	79_Q	1.872	1.00
81_L	107_A	1.862	1.00
68_S	72_C	1.861	1.00
106_T	110_L	1.844	1.00
25_N	312_Q	1.827	1.00
86_H	112_V	1.794	1.00
101_S	105_D	1.785	1.00
82_G	110_L	1.780	1.00
40_E	44_K	1.774	1.00
101_S	329_E	1.768	1.00
35_N	38_N	1.767	1.00
138_L	253_G	1.766	1.00
226_L	232_V	1.745	1.00
97_L	332_E	1.741	1.00
64_L	80_A	1.736	1.00
4_I	63_G	1.734	1.00
26_A	308_I	1.703	1.00
77_A	103_M	1.690	1.00
20_L	65_I	1.679	1.00
23_I	305_I	1.664	1.00
96_S	99_E	1.656	1.00
52_E	56_E	1.596	1.00
130_K	187_Y	1.589	1.00
202_M	338_D	1.588	1.00
132_L	137_E	1.583	1.00
58_I	80_A	1.583	1.00
59_D	83_K	1.582	1.00
114_A	321_F	1.581	1.00
117_G	303_E	1.552	1.00
54_V	79_Q	1.533	1.00
106_T	109_R	1.515	1.00
196_E	225_Q	1.513	1.00
104_K	321_F	1.506	1.00
104_K	325_F	1.506	1.00
82_G	109_R	1.482	1.00
326_R	329_E	1.467	1.00
129_L	258_F	1.465	1.00
51_F	60_A	1.462	1.00
56_E	59_D	1.453	1.00
36_Q	52_E	1.453	1.00
95_I	99_E	1.452	1.00
113_R	314_D	1.446	1.00
41_S	45_T	1.431	1.00
74_K	103_M	1.419	1.00
142_L	254_H	1.413	1.00
164_D	168_K	1.408	1.00
145_K	250_E	1.393	1.00
55_D	59_D	1.387	1.00
189_F	230_V	1.385	1.00
94_A	100_A	1.379	1.00
250_E	259_K	1.375	1.00
94_A	103_M	1.372	1.00
39_A	50_S	1.370	1.00
79_Q	82_G	1.369	1.00
51_F	57_L	1.364	1.00
81_L	110_L	1.356	1.00
100_A	325_F	1.350	1.00
186_W	326_R	1.349	1.00
61_S	85_K	1.349	1.00
97_L	101_S	1.343	1.00
97_L	329_E	1.343	1.00
191_S	227_K	1.335	1.00
309_A	315_W	1.332	1.00
9_A	31_V	1.307	1.00
32_Y	54_V	1.279	1.00
3_K	29_V	1.277	1.00
201_K	225_Q	1.277	1.00
79_Q	83_K	1.275	1.00
138_L	256_K	1.271	1.00
3_K	62_E	1.261	1.00
306_N	310_S	1.253	1.00
145_K	235_I	1.238	1.00
56_E	60_A	1.234	1.00
66_V	77_A	1.232	1.00
191_S	228_N	1.232	1.00
84_H	110_L	1.219	1.00
104_K	322_S	1.215	1.00
186_W	226_L	1.202	1.00
102_I	105_D	1.201	1.00
32_Y	57_L	1.193	1.00
66_V	76_H	1.193	1.00
248_S	259_K	1.190	1.00
182_I	330_V	1.188	1.00
80_A	87_V	1.187	1.00
54_V	76_H	1.185	1.00
306_N	318_I	1.183	1.00
43_V	50_S	1.180	1.00
81_L	106_T	1.180	1.00
308_I	312_Q	1.178	1.00
41_S	44_K	1.177	1.00
37_Q	40_E	1.175	1.00
141_I	251_V	1.161	1.00
320_S	323_D	1.159	1.00
22_T	301_R	1.150	1.00
199_R	223_Y	1.148	1.00
305_I	309_A	1.137	1.00
4_I	26_A	1.135	1.00
332_E	336_E	1.129	1.00
93_M	100_A	1.125	1.00
88_L	117_G	1.123	1.00
30_G	57_L	1.119	1.00
104_K	108_E	1.113	1.00
100_A	328_Q	1.110	1.00
336_E	339_S	1.105	1.00
88_L	303_E	1.098	1.00
105_D	108_E	1.093	1.00
54_V	58_I	1.092	1.00
69_P	72_C	1.087	1.00
58_I	79_Q	1.084	1.00
126_V	187_Y	1.084	1.00
333_M	336_E	1.080	1.00
102_I	106_T	1.073	1.00
186_W	323_D	1.068	1.00
144_I	232_V	1.060	1.00
192_D	227_K	1.045	1.00
86_H	314_D	1.035	1.00
186_W	192_D	1.029	1.00
138_L	258_F	1.028	1.00
7_I	76_H	1.020	1.00
132_L	135_N	1.015	1.00
94_A	99_E	1.015	1.00
99_E	102_I	1.013	1.00
185_V	232_V	1.013	1.00
39_A	52_E	1.009	1.00
25_N	305_I	1.007	1.00
98_E	101_S	0.997	1.00
78_L	103_M	0.996	1.00
89_C	114_A	0.996	1.00
127_N	318_I	0.994	1.00
306_N	315_W	0.993	1.00
144_I	189_F	0.989	1.00
16_H	65_I	0.988	1.00
306_N	309_A	0.984	1.00
131_S	134_I	0.977	1.00
18_T	22_T	0.974	1.00
58_I	83_K	0.973	1.00
86_H	311_T	0.968	1.00
121_R	323_D	0.968	1.00
39_A	43_V	0.967	1.00
316_V	320_S	0.962	1.00
141_I	253_G	0.960	1.00
122_Y	306_N	0.958	1.00
302_S	305_I	0.956	1.00
97_L	325_F	0.952	1.00
129_L	260_Y	0.943	1.00
138_L	141_I	0.941	1.00
38_N	41_S	0.941	1.00
301_R	305_I	0.939	1.00
98_E	102_I	0.938	1.00
93_M	321_F	0.937	1.00
161_W	164_D	0.935	1.00
37_Q	41_S	0.934	1.00
51_F	56_E	0.932	1.00
9_A	33_D	0.927	1.00
309_A	314_D	0.923	1.00
93_M	114_A	0.921	1.00
76_H	79_Q	0.918	1.00
5_G	30_G	0.915	1.00
77_A	87_V	0.909	1.00
322_S	326_R	0.908	1.00
103_M	114_A	0.905	1.00
74_K	94_A	0.904	1.00
141_I	189_F	0.904	1.00
267_V	270_L	0.902	1.00
119_N	299_S	0.900	1.00
335_F	339_S	0.896	1.00
95_I	170_T	0.894	1.00
40_E	50_S	0.894	1.00
60_A	85_K	0.892	1.00
25_N	309_A	0.889	1.00
18_T	45_T	0.883	1.00
2_K	311_T	0.883	1.00
72_C	75_E	0.881	1.00
36_Q	39_A	0.881	1.00
333_M	337_K	0.880	1.00
101_S	104_K	0.875	1.00
29_V	49_K	0.874	1.00
191_S	326_R	0.871	1.00
329_E	333_M	0.869	1.00
33_D	39_A	0.867	1.00
65_I	304_L	0.867	1.00
107_A	110_L	0.867	1.00
81_L	87_V	0.866	1.00
221_E	233_N	0.859	1.00
31_V	42_F	0.857	1.00
115_S	307_W	0.852	1.00
40_E	43_V	0.847	1.00
107_A	114_A	0.846	1.00
250_E	257_E	0.845	1.00
14_R	41_S	0.844	1.00
4_I	20_L	0.840	1.00
20_L	304_L	0.839	1.00
147_H	248_S	0.839	1.00
16_H	304_L	0.834	1.00
139_G	256_K	0.834	1.00
201_K	231_F	0.831	1.00
77_A	81_L	0.829	1.00
66_V	80_A	0.829	1.00
165_A	215_L	0.826	1.00
159_F	163_D	0.823	1.00
113_R	310_S	0.819	1.00
161_W	165_A	0.814	1.00
192_D	326_R	0.813	1.00
145_K	233_N	0.813	1.00
71_F	169_K	0.811	1.00
33_D	38_N	0.806	1.00
268_Y	272_D	0.804	1.00
144_I	251_V	0.803	1.00
186_W	327_S	0.799	1.00
70_N	176_D	0.798	1.00
162_R	165_A	0.796	1.00
20_L	26_A	0.795	1.00
127_N	131_S	0.794	1.00
173_S	236_T	0.791	1.00
5_G	32_Y	0.791	1.00
248_S	261_H	0.787	1.00
89_C	93_M	0.786	1.00
146_V	249_I	0.782	1.00
23_I	26_A	0.781	1.00
133_I	253_G	0.780	1.00
146_V	181_L	0.779	1.00
144_I	185_V	0.778	1.00
107_A	112_V	0.777	1.00
200_A	334_F	0.777	1.00
182_I	331_L	0.777	1.00
118_F	179_I	0.775	1.00
107_A	321_F	0.775	1.00
7_I	68_S	0.774	1.00
134_I	190_E	0.773	1.00
113_R	311_T	0.772	1.00
36_Q	50_S	0.768	1.00
81_L	114_A	0.767	1.00
100_A	104_K	0.766	1.00
12_I	16_H	0.763	1.00
199_R	337_K	0.761	1.00
13_A	67_A	0.760	1.00
29_V	60_A	0.753	1.00
197_S	201_K	0.748	1.00
89_C	103_M	0.747	1.00
2_K	63_G	0.746	1.00
42_F	45_T	0.745	1.00
193_F	226_L	0.744	1.00
310_S	317_E	0.743	1.00
224_G	232_V	0.743	1.00
310_S	313_N	0.742	1.00
7_I	54_V	0.741	1.00
159_F	164_D	0.739	1.00
63_G	86_H	0.738	1.00
310_S	315_W	0.731	1.00
325_F	329_E	0.729	1.00
115_S	310_S	0.728	1.00
17_A	28_L	0.726	1.00
93_M	116_M	0.725	1.00
6_I	17_A	0.724	1.00
5_G	64_L	0.722	1.00
12_I	300_F	0.721	1.00
179_I	327_S	0.721	1.00
178_G	236_T	0.720	1.00
172_G	217_D	0.719	1.00
7_I	32_Y	0.719	1.00
116_M	324_G	0.717	1.00
149_K	235_I	0.717	1.00
139_G	253_G	0.712	1.00
140_N	228_N	0.711	1.00
307_W	311_T	0.707	1.00
127_N	302_S	0.707	1.00
174_L	331_L	0.706	1.00
165_A	339_S	0.706	1.00
2_K	312_Q	0.705	1.00
185_V	226_L	0.704	1.00
12_I	67_A	0.703	1.00
147_H	235_I	0.703	1.00
189_F	226_L	0.702	1.00
218_D	239_C	0.702	1.00
270_L	273_G	0.702	1.00
203_N	225_Q	0.699	1.00
193_F	224_G	0.699	1.00
201_K	223_Y	0.696	1.00
171_S	175_G	0.694	1.00
223_Y	231_F	0.690	1.00
143_S	231_F	0.690	1.00
13_A	18_T	0.685	1.00
73_H	89_C	0.685	1.00
120_Y	123_L	0.684	1.00
306_N	317_E	0.683	1.00
126_V	184_M	0.682	1.00
164_D	215_L	0.681	1.00
328_Q	332_E	0.678	1.00
9_A	39_A	0.672	1.00
121_R	187_Y	0.670	1.00
323_D	326_R	0.669	1.00
225_Q	231_F	0.668	1.00
25_N	308_I	0.666	1.00
78_L	81_L	0.664	1.00
74_K	106_T	0.664	1.00
84_H	112_V	0.662	1.00
226_L	230_V	0.660	1.00
321_F	324_G	0.658	1.00
14_R	18_T	0.658	1.00
85_K	112_V	0.655	1.00
4_I	308_I	0.649	1.00
113_R	316_V	0.649	1.00
91_K	180_H	0.648	1.00
81_L	103_M	0.644	1.00
140_N	255_K	0.644	1.00
174_L	220_A	0.643	1.00
252_V	257_E	0.642	1.00
300_F	303_E	0.640	1.00
89_C	116_M	0.639	1.00
160_T	163_D	0.639	1.00
88_L	115_S	0.638	1.00
217_D	335_F	0.638	1.00
178_G	181_L	0.635	1.00
222_I	234_I	0.635	1.00
35_N	40_E	0.635	1.00
30_G	49_K	0.634	1.00
186_W	330_V	0.634	1.00
118_F	327_S	0.633	1.00
272_D	275_N	0.630	1.00
133_I	251_V	0.628	1.00
200_A	222_I	0.628	1.00
193_F	330_V	0.626	1.00
75_E	102_I	0.626	1.00
51_F	61_S	0.625	1.00
42_F	46_F	0.622	1.00
57_L	60_A	0.622	1.00
77_A	114_A	0.621	1.00
188_L	251_V	0.620	1.00
119_N	300_F	0.619	1.00
183_D	327_S	0.616	1.00
176_D	238_K	0.615	1.00
4_I	65_I	0.613	1.00
146_V	185_V	0.611	1.00
32_Y	51_F	0.610	1.00
148_F	177_L	0.609	1.00
17_A	42_F	0.606	1.00
268_Y	271_I	0.606	1.00
130_K	188_L	0.605	1.00
186_W	191_S	0.603	1.00
14_R	38_N	0.603	1.00
31_V	50_S	0.600	1.00
180_H	183_D	0.600	1.00
237_S	240_S	0.598	1.00
115_S	306_N	0.596	1.00
193_F	196_E	0.595	1.00
13_A	42_F	0.593	1.00
63_G	311_T	0.592	1.00
199_R	225_Q	0.591	1.00
158_K	162_R	0.589	1.00
55_D	75_E	0.588	1.00
118_F	183_D	0.588	1.00
200_A	220_A	0.587	1.00
143_S	252_V	0.587	1.00
164_D	169_K	0.587	1.00
174_L	222_I	0.586	1.00
23_I	301_R	0.585	1.00
64_L	85_K	0.585	1.00
75_E	78_L	0.584	1.00
183_D	187_Y	0.584	1.00
26_A	63_G	0.582	1.00
14_R	46_F	0.581	1.00
12_I	90_E	0.579	1.00
57_L	61_S	0.577	1.00
23_I	308_I	0.577	1.00
141_I	230_V	0.576	1.00
182_I	334_F	0.576	1.00
9_A	42_F	0.575	1.00
66_V	73_H	0.571	1.00
14_R	42_F	0.570	1.00
309_A	312_Q	0.569	1.00
270_L	275_N	0.567	1.00
54_V	80_A	0.566	1.00
205_N	218_D	0.566	1.00
267_V	271_I	0.566	1.00
264_N	267_V	0.563	1.00
34_I	68_S	0.563	1.00
90_E	117_G	0.559	1.00
18_T	21_S	0.559	1.00
297_A	301_R	0.556	1.00
219_Y	237_S	0.556	1.00
202_M	220_A	0.556	1.00
11_G	15_A	0.555	1.00
104_K	107_A	0.555	1.00
327_S	331_L	0.553	1.00
265_P	268_Y	0.552	1.00
185_V	234_I	0.551	1.00
55_D	83_K	0.551	1.00
298_D	301_R	0.547	1.00
150_K	177_L	0.547	1.00
175_G	332_E	0.546	1.00
129_L	188_L	0.545	1.00
223_Y	233_N	0.542	1.00
127_N	187_Y	0.541	1.00
71_F	95_I	0.541	1.00
65_I	88_L	0.540	1.00
291_N	294_Y	0.539	1.00
115_S	303_E	0.539	1.00
136_N	140_N	0.538	1.00
224_G	234_I	0.537	1.00
220_A	236_T	0.536	1.00
197_S	200_A	0.536	1.00
67_A	90_E	0.535	1.00
259_K	269_K	0.533	1.00
91_K	176_D	0.533	1.00
93_M	103_M	0.528	1.00
77_A	107_A	0.525	1.00
120_Y	183_D	0.525	1.00
68_S	73_H	0.524	1.00
10_G	67_A	0.523	1.00
124_S	302_S	0.522	1.00
136_N	253_G	0.521	1.00
82_G	102_I	0.520	1.00
221_E	235_I	0.519	1.00
38_N	42_F	0.519	1.00
6_I	65_I	0.519	1.00
133_I	188_L	0.519	1.00
113_R	317_E	0.519	1.00
266_H	270_L	0.518	1.00
16_H	67_A	0.517	1.00
10_G	13_A	0.516	1.00
30_G	60_A	0.514	1.00
219_Y	235_I	0.514	1.00
253_G	258_F	0.513	1.00
2_K	26_A	0.513	1.00
130_K	190_E	0.513	1.00
159_F	162_R	0.509	1.00
137_E	140_N	0.508	1.00
62_E	312_Q	0.508	1.00
122_Y	319_P	0.506	1.00
170_T	216_V	0.503	1.00
127_N	130_K	0.503	1.00
16_H	20_L	0.502	1.00
7_I	64_L	0.502	1.00
143_S	235_I	0.501	1.00
31_V	39_A	0.500	1.00
6_I	28_L	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
1h6dA	8	0.9514	100	0.199	Contact Map
3dtyA	4	0.94	100	0.207	Contact Map
3v5nA	4	0.9143	100	0.211	Contact Map
2nvwA	3	0.9371	100	0.214	Contact Map
3db2A	2	0.96	100	0.221	Contact Map
1zh8A	2	0.9	100	0.222	Contact Map
4gqaA	4	0.9829	100	0.222	Contact Map
3euwA	4	0.9429	100	0.228	Contact Map
3q2iA	4	0.9429	100	0.23	Contact Map
3btvA	2	0.9343	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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