Q9HQR6 - HALSA - GREMLIN Contacts

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Q9HQR6 - 2-hydroxyhepta-2,4-diene-1,7-dioate isomerase

UniProt:	Q9HQR6	Sequences: MRFRTPAGAVRVGEYDPDAEVVAAAGRAFDRASVDVLPPCDPSKVVCVGRNYAAHADERDADVPDRPLLFLKPPTAVAGHGDATPLPPNTRVEHEAELAVVIGTQARNLDAGAAMAAVEGYTVANDVSNRTDQDREQNWVRGKAFDGSCPLGPVVATPDEVPDDATVALDVNGERRQSGSISQFVFDVPTLLAEITAFVTLQPGDVVLTGTPPGVGELTDGDRVAASVEGVGTLEHTVVREPPA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	244 (209)
Sequences:	9876 (5897)
Seq/√Len:	407.9

ECOLI - YCGM
BACSU - YISK
HALSA - Q9HQR6
SULSO - Q97V63 Q97VT9 Q97UR1 KDAD

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
172_N	222_D	3.625	1.00
124_A	208_L	3.457	1.00
166_T	178_S	3.334	1.00
170_D	175_R	3.080	1.00
168_A	227_S	2.975	1.00
225_A	235_E	2.796	1.00
110_D	113_A	2.708	1.00
111_A	193_A	2.657	1.00
227_S	233_T	2.582	1.00
99_A	124_A	2.539	1.00
111_A	190_T	2.539	1.00
187_D	190_T	2.469	1.00
175_R	178_S	2.439	1.00
225_A	233_T	2.423	1.00
106_A	109_L	2.356	1.00
106_A	117_A	2.285	1.00
96_A	226_A	2.273	1.00
96_A	169_L	2.262	1.00
115_M	118_V	2.205	1.00
83_A	237_T	2.201	1.00
223_R	235_E	2.200	1.00
113_A	116_A	2.156	1.00
168_A	178_S	2.149	1.00
166_T	229_E	2.135	1.00
109_L	117_A	2.096	1.00
105_Q	202_Q	2.043	1.00
170_D	225_A	1.983	1.00
146_D	200_T	1.973	1.00
179_G	183_Q	1.969	1.00
105_Q	203_P	1.864	1.00
54_A	213_P	1.837	1.00
170_D	227_S	1.830	1.00
73_P	144_A	1.772	1.00
115_M	189_P	1.771	1.00
100_V	188_V	1.758	1.00
166_T	180_S	1.699	1.00
75_T	202_Q	1.661	1.00
151_L	206_V	1.661	1.00
171_V	176_R	1.657	1.00
53_A	57_D	1.650	1.00
99_A	208_L	1.634	1.00
85_P	147_G	1.626	1.00
168_A	175_R	1.614	1.00
99_A	122_T	1.607	1.00
111_A	187_D	1.589	1.00
164_D	180_S	1.582	1.00
121_Y	158_P	1.530	1.00
223_R	237_T	1.516	1.00
99_A	206_V	1.514	1.00
123_V	228_V	1.492	1.00
124_A	149_C	1.483	1.00
86_L	92_V	1.474	1.00
94_H	176_R	1.466	1.00
30_D	33_S	1.465	1.00
164_D	182_S	1.397	1.00
43_S	202_Q	1.397	1.00
71_L	140_V	1.396	1.00
171_V	218_L	1.391	1.00
78_A	82_D	1.371	1.00
96_A	167_V	1.369	1.00
69_L	195_I	1.356	1.00
48_V	191_L	1.334	1.00
127_V	218_L	1.329	1.00
149_C	208_L	1.316	1.00
107_R	146_D	1.314	1.00
104_T	117_A	1.300	1.00
90_T	131_T	1.297	1.00
54_A	183_Q	1.269	1.00
79_G	82_D	1.267	1.00
45_V	149_C	1.251	1.00
125_N	236_H	1.222	1.00
157_T	160_E	1.209	1.00
102_I	192_L	1.198	1.00
104_T	116_A	1.192	1.00
76_A	149_C	1.181	1.00
98_L	228_V	1.180	1.00
161_V	165_A	1.171	1.00
50_R	59_R	1.169	1.00
50_R	61_A	1.163	1.00
35_D	82_D	1.153	1.00
122_T	152_G	1.145	1.00
48_V	69_L	1.134	1.00
122_T	151_L	1.127	1.00
140_V	144_A	1.116	1.00
56_A	63_V	1.116	1.00
127_V	150_P	1.092	1.00
186_F	190_T	1.086	1.00
86_L	220_D	1.082	1.00
111_A	189_P	1.079	1.00
78_A	147_G	1.074	1.00
46_V	195_I	1.074	1.00
107_R	200_T	1.072	1.00
105_Q	117_A	1.044	1.00
84_T	127_V	1.031	1.00
93_E	130_R	1.026	1.00
105_Q	200_T	1.025	1.00
102_I	201_L	1.021	1.00
66_R	135_R	1.012	1.00
119_E	155_V	1.010	1.00
84_T	224_V	1.008	1.00
52_Y	209_T	1.007	1.00
91_R	131_T	1.002	1.00
132_D	145_F	1.000	1.00
170_D	233_T	0.995	1.00
136_E	141_R	0.985	1.00
169_L	226_A	0.981	1.00
98_L	181_I	0.977	1.00
100_V	207_V	0.961	1.00
123_V	226_A	0.960	1.00
38_P	77_V	0.953	1.00
165_A	181_I	0.950	1.00
141_R	198_F	0.949	1.00
91_R	134_D	0.947	1.00
53_A	64_P	0.945	1.00
124_A	151_L	0.944	1.00
54_A	57_D	0.930	1.00
129_N	148_S	0.928	1.00
193_A	197_A	0.921	1.00
81_G	235_E	0.917	1.00
55_H	130_R	0.903	1.00
123_V	231_V	0.903	1.00
110_D	193_A	0.901	1.00
190_T	193_A	0.894	1.00
103_G	119_E	0.889	1.00
101_V	155_V	0.880	1.00
125_N	224_V	0.878	1.00
122_T	231_V	0.873	1.00
80_H	234_L	0.872	1.00
173_G	225_A	0.868	1.00
96_A	123_V	0.867	1.00
42_P	77_V	0.865	1.00
46_V	71_L	0.864	1.00
69_L	194_E	0.862	1.00
31_R	36_V	0.861	1.00
62_D	65_D	0.860	1.00
46_V	199_V	0.852	1.00
92_V	238_V	0.843	1.00
63_V	185_V	0.841	1.00
108_N	197_A	0.839	1.00
162_P	230_G	0.823	1.00
170_D	173_G	0.814	1.00
169_L	224_V	0.811	1.00
48_V	195_I	0.804	1.00
130_R	133_Q	0.799	1.00
165_A	228_V	0.795	1.00
100_V	121_Y	0.794	1.00
36_V	80_H	0.794	1.00
191_L	209_T	0.789	1.00
89_N	108_N	0.788	1.00
194_E	197_A	0.787	1.00
44_K	146_D	0.785	1.00
39_P	122_T	0.783	1.00
55_H	58_E	0.781	1.00
86_L	238_V	0.777	1.00
64_P	186_F	0.775	1.00
94_H	216_G	0.773	1.00
192_L	207_V	0.770	1.00
92_V	148_S	0.770	1.00
50_R	68_L	0.763	1.00
156_A	231_V	0.762	1.00
218_L	224_V	0.761	1.00
81_G	234_L	0.761	1.00
189_P	193_A	0.760	1.00
58_E	215_V	0.759	1.00
87_P	148_S	0.758	1.00
101_V	122_T	0.753	1.00
183_Q	213_P	0.744	1.00
141_R	199_V	0.739	1.00
84_T	238_V	0.732	1.00
151_L	208_L	0.728	1.00
43_S	75_T	0.728	1.00
165_A	180_S	0.724	1.00
59_R	128_S	0.724	1.00
173_G	223_R	0.722	1.00
156_A	161_V	0.720	1.00
109_L	193_A	0.720	1.00
67_P	191_L	0.720	1.00
88_P	108_N	0.719	1.00
68_L	139_W	0.718	1.00
61_A	134_D	0.717	1.00
106_A	192_L	0.713	1.00
98_L	188_V	0.712	1.00
47_C	208_L	0.711	1.00
195_I	207_V	0.709	1.00
224_V	238_V	0.708	1.00
120_G	155_V	0.704	1.00
100_V	192_L	0.701	1.00
57_D	183_Q	0.698	1.00
193_A	196_T	0.696	1.00
201_L	207_V	0.693	1.00
53_A	63_V	0.691	1.00
90_T	129_N	0.690	1.00
145_F	148_S	0.688	1.00
44_K	74_P	0.684	1.00
91_R	217_E	0.682	1.00
191_L	207_V	0.681	1.00
38_P	80_H	0.680	1.00
50_R	56_A	0.676	0.99
89_N	197_A	0.676	0.99
101_V	120_G	0.674	0.99
101_V	206_V	0.672	0.99
89_N	132_D	0.668	0.99
154_V	231_V	0.667	0.99
84_T	147_G	0.666	0.99
67_P	194_E	0.663	0.99
72_K	149_C	0.662	0.99
219_T	222_D	0.661	0.99
55_H	133_Q	0.654	0.99
44_K	73_P	0.654	0.99
168_A	229_E	0.652	0.99
53_A	185_V	0.651	0.99
51_N	191_L	0.649	0.99
98_L	121_Y	0.647	0.99
218_L	222_D	0.647	0.99
158_P	161_V	0.647	0.99
145_F	198_F	0.645	0.99
76_A	200_T	0.644	0.99
127_V	238_V	0.642	0.99
55_H	215_V	0.637	0.99
99_A	151_L	0.637	0.99
179_G	213_P	0.636	0.99
45_V	77_V	0.630	0.99
77_V	151_L	0.629	0.99
167_V	179_G	0.626	0.99
184_F	191_L	0.624	0.99
102_I	105_Q	0.619	0.99
171_V	224_V	0.619	0.99
167_V	228_V	0.617	0.99
118_V	121_Y	0.615	0.99
105_Q	109_L	0.614	0.99
41_D	202_Q	0.613	0.99
84_T	236_H	0.612	0.99
53_A	183_Q	0.612	0.99
31_R	34_V	0.611	0.99
38_P	79_G	0.610	0.99
125_N	226_A	0.609	0.99
102_I	117_A	0.609	0.99
156_A	159_D	0.608	0.99
66_R	194_E	0.607	0.99
81_G	237_T	0.607	0.99
116_A	158_P	0.602	0.99
113_A	117_A	0.601	0.99
45_V	124_A	0.600	0.99
87_P	145_F	0.600	0.99
114_A	193_A	0.600	0.99
57_D	63_V	0.599	0.99
115_M	158_P	0.597	0.99
152_G	232_G	0.597	0.99
100_V	118_V	0.592	0.99
78_A	84_T	0.588	0.99
55_H	93_E	0.588	0.99
194_E	198_F	0.587	0.99
134_D	137_Q	0.582	0.98
218_L	238_V	0.581	0.98
43_S	74_P	0.580	0.98
114_A	189_P	0.580	0.98
170_D	178_S	0.577	0.98
114_A	192_L	0.576	0.98
57_D	60_D	0.574	0.98
56_A	60_D	0.573	0.98
129_N	132_D	0.572	0.98
36_V	154_V	0.570	0.98
115_M	121_Y	0.569	0.98
44_K	202_Q	0.564	0.98
85_P	107_R	0.561	0.98
84_T	148_S	0.560	0.98
140_V	145_F	0.559	0.98
164_D	181_I	0.558	0.98
166_T	182_S	0.557	0.98
184_F	189_P	0.557	0.98
40_C	101_V	0.555	0.98
114_A	118_V	0.553	0.98
106_A	110_D	0.553	0.98
153_P	156_A	0.549	0.98
134_D	217_E	0.549	0.98
44_K	75_T	0.548	0.98
104_T	203_P	0.548	0.98
86_L	219_T	0.547	0.98
181_I	188_V	0.546	0.98
94_H	171_V	0.543	0.98
180_S	229_E	0.543	0.98
84_T	92_V	0.542	0.98
127_V	147_G	0.541	0.98
128_S	133_Q	0.540	0.98
155_V	231_V	0.539	0.98
67_P	186_F	0.534	0.97
52_Y	181_I	0.533	0.97
44_K	71_L	0.532	0.97
127_V	236_H	0.532	0.97
63_V	66_R	0.532	0.97
127_V	224_V	0.531	0.97
91_R	135_R	0.531	0.97
115_M	188_V	0.531	0.97
110_D	117_A	0.531	0.97
190_T	194_E	0.526	0.97
167_V	173_G	0.526	0.97
89_N	129_N	0.525	0.97
123_V	234_L	0.521	0.97
118_V	188_V	0.518	0.97
109_L	192_L	0.515	0.97
112_G	193_A	0.513	0.97
114_A	196_T	0.511	0.97
51_N	184_F	0.511	0.97
158_P	162_P	0.510	0.97
75_T	146_D	0.510	0.97
45_V	208_L	0.508	0.96
188_V	209_T	0.507	0.96
89_N	198_F	0.506	0.96
80_H	235_E	0.505	0.96
226_A	234_L	0.504	0.96
55_H	59_R	0.502	0.96
78_A	81_G	0.501	0.96
152_G	231_V	0.500	0.96
50_R	54_A	0.500	0.96

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
3r6oA	2	0.9098	100	0.188	Contact Map
3rr6A	1	0.9754	100	0.19	Contact Map
4dbfA	2	0.9426	100	0.198	Contact Map
1wzoA	4	0.9508	100	0.214	Contact Map
2dfuA	2	0.9549	100	0.22	Contact Map
3lzkA	2	0.9877	100	0.241	Contact Map
1gttA	1	0.959	100	0.241	Contact Map
4maqA	2	0.9221	100	0.269	Contact Map
2q18X	3	0.9139	100	0.275	Contact Map
1sawA	2	0.8197	100	0.277	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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