YQGX - BACSU - GREMLIN Contacts

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YQGX - Probable metallo-hydrolase YqgX

UniProt:	P54501	Sequences: MKWRRMPVGPIQANAYFLISDDQCLIFDPGGEGHKINQYIKEKGLTPLAILLTHAHFDHIGALDEVREKWDIPVYLHQNEKNWLADASLNGSGMLRGIEVTAKPADHLIEGDGELNIGPFHLETLFTPGHSPGSVSYYVKDADLVISGDVLFQGGIGRTDLIGGNQETLLTSIHEKLLTLPEHTLVLSGHGPETDVLTEQDQNPFLNGFSL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	211 (179)
Sequences:	17739 (12507)
Seq/√Len:	934.8

ECOLI - YCBL GLO2
BACSU - YQGX PKSB YYBB YQJP YFLN YOBT YRKH YTNP
HALSA - Q9HQ50 Q9HNJ2 Q9HRG5 Q9HNJ9 Q9HSD1 Q9HSH2 O54647 O54661 Q9HS22 Q9HQ42
SULSO - Q97U88 Q7LYK3 Q97YZ2 Q97VU4 Q97VU0 Q97XZ1 Q97UV2 Q97UR2 Q97WC2 Q97Y13 Q97YH8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
127_T	136_S	4.021	1.00
23_Q	48_L	3.852	1.00
52_L	63_L	3.435	1.00
114_E	121_H	2.778	1.00
49_A	75_Y	2.686	1.00
116_N	121_H	2.607	1.00
111_G	176_K	2.552	1.00
182_E	200_Q	2.474	1.00
51_L	137_Y	2.474	1.00
114_E	123_E	2.436	1.00
123_E	140_K	2.423	1.00
122_L	139_V	2.405	1.00
78_Q	110_E	2.322	1.00
124_T	135_V	2.288	1.00
25_L	49_A	2.201	1.00
37_N	69_K	2.194	1.00
75_Y	107_H	2.145	1.00
80_E	133_G	2.133	1.00
73_P	107_H	2.003	1.00
144_L	187_L	1.996	1.00
49_A	73_P	1.893	1.00
16_Y	187_L	1.884	1.00
124_T	137_Y	1.871	1.00
165_N	168_T	1.856	1.00
139_V	142_A	1.811	1.00
24_C	45_L	1.758	1.00
77_H	126_F	1.750	1.00
143_D	183_H	1.745	1.00
67_R	106_D	1.744	1.00
75_Y	109_I	1.704	1.00
23_Q	46_T	1.699	1.00
27_F	146_I	1.697	1.00
27_F	53_T	1.692	1.00
39_Y	43_K	1.627	1.00
110_E	113_G	1.610	1.00
182_E	197_L	1.522	1.00
37_N	41_K	1.519	1.00
19_I	45_L	1.492	1.00
39_Y	42_E	1.477	1.00
63_L	74_V	1.474	1.00
19_I	24_C	1.466	1.00
171_T	175_E	1.459	1.00
25_L	51_L	1.451	1.00
65_E	69_K	1.417	1.00
47_P	72_I	1.383	1.00
136_S	145_V	1.374	1.00
123_E	138_Y	1.356	1.00
37_N	70_W	1.356	1.00
77_H	135_V	1.335	1.00
16_Y	146_I	1.331	1.00
138_Y	145_V	1.320	1.00
120_F	139_V	1.316	1.00
107_H	113_G	1.316	1.00
40_I	47_P	1.298	1.00
38_Q	42_E	1.289	1.00
34_H	38_Q	1.241	1.00
125_L	176_K	1.238	1.00
78_Q	108_L	1.233	1.00
81_K	85_A	1.231	1.00
64_D	68_E	1.231	1.00
168_T	171_T	1.223	1.00
29_P	50_I	1.209	1.00
125_L	138_Y	1.205	1.00
33_G	65_E	1.192	1.00
47_P	70_W	1.190	1.00
127_T	172_S	1.185	1.00
129_G	172_S	1.174	1.00
33_G	62_A	1.173	1.00
136_S	177_L	1.164	1.00
24_C	47_P	1.153	1.00
41_K	69_K	1.146	1.00
109_I	135_V	1.120	1.00
64_D	67_R	1.101	1.00
79_N	126_F	1.100	1.00
176_K	179_T	1.094	1.00
186_V	194_T	1.083	1.00
111_G	126_F	1.075	1.00
81_K	108_L	1.073	1.00
145_V	180_L	1.071	1.00
131_S	134_S	1.068	1.00
116_N	119_P	1.061	1.00
175_E	179_T	1.059	1.00
38_Q	41_K	1.053	1.00
67_R	74_V	1.053	1.00
134_S	148_G	1.048	1.00
26_I	47_P	1.041	1.00
33_G	37_N	1.036	1.00
20_S	23_Q	1.018	1.00
20_S	119_P	1.015	1.00
112_D	123_E	1.010	1.00
127_T	150_V	1.008	1.00
175_E	178_L	0.997	1.00
138_Y	184_T	0.983	1.00
53_T	148_G	0.966	1.00
136_S	150_V	0.965	1.00
150_V	177_L	0.963	1.00
132_P	168_T	0.957	1.00
65_E	68_E	0.952	1.00
166_Q	169_L	0.943	1.00
167_E	171_T	0.942	1.00
150_V	169_L	0.941	1.00
166_Q	170_L	0.941	1.00
196_V	199_E	0.935	1.00
17_F	39_Y	0.933	1.00
120_F	142_A	0.926	1.00
20_S	118_G	0.919	1.00
147_S	186_V	0.916	1.00
17_F	24_C	0.898	1.00
73_P	106_D	0.895	1.00
186_V	196_V	0.895	1.00
51_L	122_L	0.891	1.00
23_Q	49_A	0.880	1.00
145_V	186_V	0.871	1.00
76_L	80_E	0.871	1.00
26_I	29_P	0.860	1.00
25_L	117_I	0.859	1.00
79_N	82_N	0.856	1.00
187_L	193_E	0.850	1.00
140_K	143_D	0.844	1.00
50_I	72_I	0.840	1.00
127_T	134_S	0.829	1.00
55_A	76_L	0.827	1.00
52_L	74_V	0.826	1.00
194_T	199_E	0.825	1.00
57_F	61_G	0.824	1.00
138_Y	180_L	0.822	1.00
117_I	120_F	0.818	1.00
15_A	36_I	0.810	1.00
18_L	27_F	0.807	1.00
154_G	198_T	0.807	1.00
76_L	84_L	0.803	1.00
138_Y	143_D	0.798	1.00
13_A	30_G	0.796	1.00
122_L	137_Y	0.794	1.00
32_E	35_K	0.789	1.00
55_A	80_E	0.788	1.00
158_R	161_L	0.787	1.00
78_Q	81_K	0.785	1.00
25_L	122_L	0.785	1.00
195_D	198_T	0.781	1.00
178_L	200_Q	0.781	1.00
63_L	67_R	0.779	1.00
177_L	196_V	0.772	1.00
35_K	38_Q	0.771	1.00
80_E	131_S	0.768	1.00
35_K	39_Y	0.763	1.00
16_Y	189_G	0.762	1.00
134_S	150_V	0.759	1.00
170_L	175_E	0.755	1.00
121_H	140_K	0.747	1.00
150_V	172_S	0.746	1.00
125_L	136_S	0.744	1.00
19_I	39_Y	0.735	1.00
138_Y	182_E	0.733	1.00
139_V	143_D	0.729	1.00
153_Q	192_P	0.726	1.00
114_E	140_K	0.725	1.00
29_P	63_L	0.724	1.00
80_E	83_W	0.721	1.00
24_C	48_L	0.720	1.00
132_P	163_G	0.715	1.00
146_I	187_L	0.710	1.00
109_I	124_T	0.708	1.00
147_S	188_S	0.704	1.00
184_T	195_D	0.703	1.00
103_K	106_D	0.703	1.00
161_L	166_Q	0.703	1.00
27_F	51_L	0.697	1.00
85_A	104_P	0.697	1.00
109_I	113_G	0.696	1.00
121_H	141_D	0.694	1.00
19_I	43_K	0.692	1.00
109_I	137_Y	0.688	1.00
123_E	180_L	0.688	1.00
50_I	63_L	0.687	1.00
19_I	22_D	0.684	1.00
14_N	189_G	0.682	1.00
50_I	74_V	0.675	1.00
173_I	178_L	0.675	1.00
68_E	101_T	0.672	1.00
55_A	133_G	0.672	1.00
56_H	59_H	0.670	1.00
126_F	135_V	0.664	1.00
49_A	107_H	0.657	1.00
13_A	189_G	0.648	1.00
14_N	191_G	0.647	1.00
26_I	66_V	0.643	1.00
82_N	85_A	0.639	1.00
51_L	135_V	0.639	1.00
32_E	36_I	0.637	1.00
52_L	60_I	0.637	1.00
34_H	65_E	0.632	1.00
169_L	173_I	0.631	1.00
152_F	157_G	0.629	1.00
48_L	73_P	0.628	1.00
181_P	184_T	0.628	1.00
152_F	156_I	0.626	1.00
158_R	162_I	0.625	1.00
109_I	115_L	0.625	1.00
67_R	71_D	0.624	1.00
171_T	176_K	0.623	1.00
128_P	172_S	0.622	1.00
20_S	120_F	0.619	1.00
8_V	13_A	0.618	1.00
17_F	26_I	0.618	1.00
14_N	192_P	0.616	1.00
76_L	105_A	0.609	1.00
34_H	37_N	0.606	1.00
152_F	155_G	0.606	1.00
50_I	66_V	0.604	1.00
143_D	181_P	0.602	1.00
15_A	29_P	0.602	1.00
139_V	144_L	0.598	1.00
159_T	166_Q	0.597	1.00
53_T	137_Y	0.595	1.00
77_H	80_E	0.594	1.00
126_F	176_K	0.589	1.00
170_L	178_L	0.584	1.00
82_N	86_D	0.584	1.00
27_F	137_Y	0.583	1.00
11_I	57_F	0.579	1.00
24_C	40_I	0.578	1.00
17_F	40_I	0.577	1.00
56_H	189_G	0.574	1.00
83_W	132_P	0.558	1.00
9_G	13_A	0.555	1.00
151_L	186_V	0.554	1.00
99_E	103_K	0.554	1.00
163_G	169_L	0.553	1.00
36_I	39_Y	0.553	1.00
182_E	186_V	0.552	1.00
110_E	126_F	0.552	1.00
18_L	139_V	0.552	1.00
23_Q	118_G	0.551	1.00
21_D	119_P	0.549	1.00
125_L	180_L	0.548	1.00
62_A	65_E	0.547	1.00
66_V	70_W	0.546	1.00
36_I	40_I	0.544	1.00
149_D	190_H	0.541	1.00
75_Y	113_G	0.540	1.00
54_H	149_D	0.538	1.00
105_A	108_L	0.534	1.00
188_S	191_G	0.533	1.00
31_G	36_I	0.532	1.00
20_S	117_I	0.529	1.00
22_D	44_G	0.529	1.00
79_N	110_E	0.528	1.00
15_A	30_G	0.524	1.00
112_D	176_K	0.521	1.00
41_K	44_G	0.520	1.00
75_Y	106_D	0.519	1.00
138_Y	181_P	0.518	1.00
120_F	141_D	0.515	1.00
22_D	45_L	0.514	1.00
144_L	184_T	0.514	1.00
76_L	81_K	0.513	1.00
43_K	46_T	0.512	1.00
8_V	15_A	0.512	1.00
113_G	124_T	0.512	1.00
155_G	158_R	0.511	1.00
60_I	63_L	0.507	1.00
81_K	84_L	0.507	1.00
26_I	40_I	0.506	1.00
188_S	192_P	0.506	1.00
118_G	121_H	0.503	1.00
18_L	25_L	0.501	1.00
29_P	52_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
3tp9A	2	0.9384	100	0.231	Contact Map
3r2uA	4	0.9336	100	0.233	Contact Map
2xf4A	2	0.981	100	0.234	Contact Map
4efzA	2	0.9905	100	0.243	Contact Map
4yslA	2	0.9905	100	0.244	Contact Map
2zwrA	1	0.9716	100	0.26	Contact Map
1qh5A	1	0.8768	100	0.265	Contact Map
1xm8A	1	0.8863	100	0.268	Contact Map
2p18A	1	0.8863	100	0.272	Contact Map
4chlA	2	0.9005	100	0.283	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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