Q9HQN7 - HALSA - GREMLIN Contacts

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Q9HQN7 - Chloromuconate cycloisomerase

UniProt:	Q9HQN7	Sequences: MAALRAADDADSWERALDACMDAPAARHAVSLARMDADSCAAGRPLASALSDGAAADSVPVNATVGDGTAAATSAAVADAAADGFDTVKVKVGSRSVRADLDRLRAASDTAPAGLSLRADANGAWDLDAARQAADACGSLPIEYIEQPLAPTRLDATRSIGGVPIALDEALHQHPLDAALAVADYVVLKPMVLGGIDRARDAARTARQAGVEPVVSTTIDGVVARTAAVHLAASIPDVPACGLATADRLADALAPDPAPVAGGRIQVPADPGHGVEVTADA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	281 (256)
Sequences:	8858 (5403)
Seq/√Len:	337.7

ECOLI - RSPA GUDD GUDX DGOD RHMD AEEP MENC
BACSU - AEEP YITF GUDD MENC
HALSA - Q9HQN7 Q9HS20 Q9HP25
SULSO - GAD Q97VG1 Q97YL9 ARAD Q97YR3 Q97UK8

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
58_S	264_R	4.217	1.00
126_D	129_A	2.831	1.00
134_A	145_I	2.737	1.00
31_S	197_D	2.672	1.00
78_A	110_T	2.662	1.00
153_R	156_A	2.574	1.00
105_R	140_L	2.363	1.00
74_S	110_T	2.361	1.00
135_D	138_G	2.343	1.00
180_L	211_V	2.309	1.00
134_A	161_G	2.295	1.00
193_L	202_A	2.249	1.00
60_P	86_D	2.231	1.00
39_S	46_L	2.227	1.00
69_T	72_A	2.202	1.00
101_L	136_A	2.187	1.00
261_A	266_Q	2.170	1.00
78_A	82_A	2.165	1.00
116_S	143_E	2.161	1.00
138_G	162_G	2.137	1.00
255_P	276_E	2.125	1.00
70_A	74_S	2.070	1.00
44_R	48_S	2.005	1.00
177_D	181_A	1.996	1.00
136_A	139_S	1.970	1.00
106_A	109_D	1.947	1.00
133_A	137_C	1.945	1.00
58_S	266_Q	1.938	1.00
81_A	115_L	1.907	1.00
181_A	209_A	1.862	1.00
198_R	201_D	1.791	1.00
105_R	109_D	1.780	1.00
31_S	35_M	1.763	1.00
40_C	276_E	1.747	1.00
102_D	105_R	1.741	1.00
199_A	231_L	1.670	1.00
233_A	267_V	1.667	1.00
88_V	115_L	1.664	1.00
46_L	273_H	1.661	1.00
38_D	42_A	1.653	1.00
118_R	143_E	1.626	1.00
79_D	83_D	1.621	1.00
72_A	75_A	1.612	1.00
105_R	139_S	1.604	1.00
176_L	202_A	1.590	1.00
200_R	204_R	1.588	1.00
91_K	122_N	1.579	1.00
131_R	160_I	1.575	1.00
157_T	160_I	1.565	1.00
101_L	140_L	1.534	1.00
39_S	49_A	1.531	1.00
138_G	163_V	1.523	1.00
54_A	57_D	1.509	1.00
96_S	99_A	1.500	1.00
119_A	142_I	1.497	1.00
149_L	160_I	1.495	1.00
35_M	197_D	1.471	1.00
255_P	278_T	1.459	1.00
78_A	81_A	1.456	1.00
45_P	48_S	1.447	1.00
60_P	264_R	1.446	1.00
166_A	185_Y	1.445	1.00
68_G	72_A	1.443	1.00
179_A	183_A	1.435	1.00
74_S	109_D	1.433	1.00
178_A	181_A	1.429	1.00
149_L	156_A	1.426	1.00
127_L	159_S	1.420	1.00
180_L	205_T	1.407	1.00
108_S	112_P	1.395	1.00
99_A	102_D	1.379	1.00
204_R	207_R	1.376	1.00
101_L	105_R	1.368	1.00
256_D	270_D	1.364	1.00
201_D	207_R	1.363	1.00
93_G	100_D	1.327	1.00
77_V	111_A	1.311	1.00
74_S	111_A	1.308	1.00
166_A	187_V	1.307	1.00
111_A	117_L	1.305	1.00
176_L	186_V	1.292	1.00
138_G	161_G	1.291	1.00
75_A	79_D	1.291	1.00
90_V	107_A	1.284	1.00
75_A	78_A	1.279	1.00
177_D	205_T	1.276	1.00
36_D	40_C	1.267	1.00
81_A	88_V	1.260	1.00
132_Q	136_A	1.233	1.00
77_V	88_V	1.227	1.00
42_A	49_A	1.226	1.00
167_L	179_A	1.213	1.00
188_L	199_A	1.207	1.00
104_L	119_A	1.202	1.00
180_L	209_A	1.202	1.00
74_S	78_A	1.199	1.00
108_S	117_L	1.195	1.00
32_L	227_A	1.193	1.00
98_R	102_D	1.192	1.00
205_T	209_A	1.183	1.00
44_R	49_A	1.179	1.00
70_A	106_A	1.178	1.00
190_P	199_A	1.175	1.00
80_A	83_D	1.174	1.00
106_A	110_T	1.174	1.00
135_D	162_G	1.173	1.00
127_L	160_I	1.172	1.00
193_L	199_A	1.151	1.00
125_W	133_A	1.145	1.00
203_A	235_I	1.137	1.00
79_D	82_A	1.136	1.00
212_E	239_P	1.126	1.00
97_V	133_A	1.125	1.00
147_Q	187_V	1.121	1.00
111_A	115_L	1.117	1.00
175_P	178_A	1.117	1.00
87_T	118_R	1.113	1.00
189_K	216_S	1.106	1.00
172_H	175_P	1.105	1.00
201_D	204_R	1.105	1.00
71_A	75_A	1.105	1.00
200_R	234_S	1.101	1.00
205_T	208_Q	1.089	1.00
121_A	145_I	1.087	1.00
70_A	102_D	1.079	1.00
46_L	196_I	1.066	1.00
102_D	106_A	1.066	1.00
104_L	137_C	1.065	1.00
227_A	273_H	1.065	1.00
37_A	41_A	1.065	1.00
108_S	113_A	1.064	1.00
104_L	140_L	1.064	1.00
156_A	160_I	1.064	1.00
156_A	159_S	1.054	1.00
155_D	160_I	1.041	1.00
142_I	163_V	1.040	1.00
46_L	50_L	1.035	1.00
121_A	125_W	1.034	1.00
63_A	80_A	1.030	1.00
127_L	156_A	1.030	1.00
54_A	269_A	1.028	1.00
113_A	141_P	1.023	1.00
270_D	276_E	1.009	1.00
125_W	145_I	1.008	1.00
177_D	209_A	0.998	1.00
107_A	111_A	0.996	1.00
180_L	186_V	0.994	1.00
108_S	141_P	0.991	1.00
63_A	85_F	0.990	1.00
131_R	135_D	0.985	1.00
48_S	269_A	0.984	1.00
207_R	237_D	0.984	1.00
76_A	79_D	0.972	1.00
101_L	139_S	0.971	1.00
92_V	121_A	0.964	1.00
167_L	183_A	0.959	1.00
158_R	182_V	0.959	1.00
157_T	167_L	0.956	1.00
171_L	175_P	0.955	1.00
58_S	262_G	0.955	1.00
74_S	106_A	0.953	1.00
171_L	176_L	0.953	1.00
183_A	186_V	0.952	1.00
186_V	206_A	0.951	1.00
131_R	159_S	0.950	1.00
207_R	236_P	0.941	1.00
38_D	41_A	0.940	1.00
127_L	149_L	0.936	1.00
43_G	271_P	0.935	1.00
132_Q	135_D	0.932	1.00
229_V	267_V	0.920	1.00
87_T	116_S	0.918	1.00
98_R	136_A	0.917	1.00
34_R	38_D	0.913	1.00
260_V	265_I	0.908	1.00
47_A	230_H	0.904	1.00
39_S	44_R	0.902	1.00
190_P	228_A	0.887	1.00
38_D	49_A	0.876	1.00
171_L	179_A	0.873	1.00
129_A	132_Q	0.872	1.00
248_R	252_A	0.871	1.00
266_Q	269_A	0.869	1.00
118_R	144_Y	0.868	1.00
229_V	265_I	0.860	1.00
77_V	107_A	0.838	1.00
247_D	252_A	0.836	1.00
232_A	241_C	0.835	1.00
90_V	104_L	0.826	1.00
135_D	139_S	0.826	1.00
97_V	101_L	0.825	1.00
261_A	264_R	0.824	1.00
155_D	178_A	0.822	1.00
161_G	184_D	0.818	1.00
149_L	157_T	0.816	1.00
99_A	103_R	0.810	1.00
168_D	189_K	0.810	1.00
108_S	114_G	0.810	1.00
92_V	125_W	0.810	1.00
46_L	230_H	0.809	1.00
100_D	125_W	0.807	1.00
155_D	181_A	0.805	1.00
35_M	46_L	0.803	1.00
127_L	131_R	0.801	1.00
47_A	267_V	0.800	1.00
233_A	268_P	0.797	1.00
188_L	213_P	0.796	1.00
259_P	266_Q	0.789	1.00
50_L	196_I	0.785	1.00
252_A	255_P	0.784	1.00
86_D	262_G	0.781	1.00
46_L	49_A	0.776	1.00
154_L	160_I	0.775	1.00
88_V	111_A	0.774	1.00
155_D	159_S	0.773	1.00
58_S	261_A	0.771	1.00
143_E	164_P	0.770	1.00
206_A	211_V	0.765	1.00
187_V	216_S	0.764	1.00
154_L	179_A	0.764	1.00
75_A	110_T	0.761	1.00
62_N	118_R	0.761	1.00
200_R	235_I	0.755	1.00
199_A	215_V	0.750	1.00
147_Q	168_D	0.749	1.00
154_L	157_T	0.748	1.00
148_P	165_I	0.745	0.99
153_R	160_I	0.739	0.99
123_G	151_P	0.739	0.99
61_V	265_I	0.737	0.99
81_A	112_P	0.734	0.99
36_D	39_S	0.733	0.99
39_S	271_P	0.732	0.99
128_D	132_Q	0.728	0.99
73_T	103_R	0.727	0.99
37_A	40_C	0.725	0.99
23_A	27_R	0.725	0.99
67_D	73_T	0.724	0.99
40_C	270_D	0.724	0.99
32_L	196_I	0.722	0.99
196_I	200_R	0.722	0.99
154_L	182_V	0.720	0.99
71_A	74_S	0.720	0.99
78_A	111_A	0.720	0.99
256_D	276_E	0.718	0.99
131_R	161_G	0.717	0.99
196_I	231_L	0.713	0.99
47_A	54_A	0.712	0.99
34_R	37_A	0.711	0.99
154_L	178_A	0.705	0.99
161_G	165_I	0.691	0.99
60_P	116_S	0.684	0.99
68_G	73_T	0.681	0.99
119_A	137_C	0.680	0.99
123_G	170_A	0.679	0.99
203_A	213_P	0.676	0.99
134_A	163_V	0.674	0.99
222_V	254_A	0.671	0.99
130_A	134_A	0.671	0.99
65_V	80_A	0.669	0.99
196_I	227_A	0.669	0.99
74_S	77_V	0.663	0.99
48_S	54_A	0.659	0.99
81_A	111_A	0.655	0.99
92_V	119_A	0.654	0.99
45_P	49_A	0.654	0.99
160_I	165_I	0.654	0.99
191_M	224_A	0.652	0.99
226_T	275_V	0.652	0.99
204_R	208_Q	0.650	0.99
206_A	213_P	0.648	0.99
48_S	52_D	0.648	0.99
42_A	45_P	0.647	0.99
76_A	80_A	0.647	0.99
174_H	177_D	0.645	0.99
186_V	211_V	0.643	0.99
35_M	39_S	0.640	0.98
147_Q	170_A	0.640	0.98
136_A	140_L	0.639	0.98
81_A	110_T	0.638	0.98
77_V	110_T	0.637	0.98
247_D	250_A	0.636	0.98
127_L	153_R	0.636	0.98
251_D	255_P	0.635	0.98
130_A	149_L	0.634	0.98
101_L	133_A	0.631	0.98
77_V	106_A	0.630	0.98
64_T	91_K	0.629	0.98
132_Q	141_P	0.627	0.98
25_A	192_V	0.626	0.98
104_L	142_I	0.626	0.98
39_S	42_A	0.620	0.98
47_A	269_A	0.618	0.98
32_L	191_M	0.615	0.98
105_R	136_A	0.612	0.98
130_A	145_I	0.609	0.98
32_L	46_L	0.607	0.98
144_Y	214_V	0.606	0.98
101_L	104_L	0.602	0.98
234_S	237_D	0.601	0.98
50_L	200_R	0.599	0.98
30_V	34_R	0.598	0.98
112_P	115_L	0.598	0.98
174_H	178_A	0.595	0.98
72_A	76_A	0.595	0.98
203_A	237_D	0.594	0.98
90_V	103_R	0.592	0.97
59_V	232_A	0.591	0.97
45_P	51_S	0.591	0.97
57_D	269_A	0.589	0.97
133_A	136_A	0.589	0.97
68_G	76_A	0.589	0.97
214_V	240_A	0.589	0.97
97_V	136_A	0.588	0.97
32_L	223_V	0.587	0.97
249_L	252_A	0.584	0.97
256_D	259_P	0.583	0.97
28_H	191_M	0.575	0.97
136_A	141_P	0.572	0.97
158_R	184_D	0.571	0.97
86_D	264_R	0.569	0.97
197_D	200_R	0.568	0.97
258_A	265_I	0.568	0.97
128_D	131_R	0.567	0.97
176_L	188_L	0.567	0.97
185_Y	212_E	0.566	0.97
108_S	140_L	0.566	0.97
222_V	252_A	0.564	0.97
94_S	99_A	0.564	0.97
67_D	76_A	0.562	0.97
35_M	196_I	0.562	0.97
180_L	206_A	0.561	0.97
198_R	202_A	0.560	0.96
24_P	27_R	0.559	0.96
62_N	187_V	0.559	0.96
197_D	201_D	0.559	0.96
35_M	49_A	0.559	0.96
32_L	273_H	0.554	0.96
176_L	211_V	0.553	0.96
47_A	50_L	0.551	0.96
71_A	106_A	0.550	0.96
74_S	107_A	0.549	0.96
223_V	275_V	0.548	0.96
142_I	145_I	0.547	0.96
235_I	238_V	0.547	0.96
47_A	52_D	0.546	0.96
157_T	182_V	0.545	0.96
203_A	207_R	0.545	0.96
231_L	234_S	0.541	0.96
147_Q	169_E	0.539	0.96
101_L	137_C	0.539	0.96
226_T	230_H	0.538	0.96
45_P	230_H	0.536	0.95
190_P	231_L	0.536	0.95
220_D	224_A	0.535	0.95
223_V	277_V	0.533	0.95
98_R	113_A	0.532	0.95
248_R	251_D	0.532	0.95
232_A	238_V	0.527	0.95
153_R	210_G	0.527	0.95
92_V	100_D	0.526	0.95
129_A	133_A	0.525	0.95
40_C	273_H	0.524	0.95
65_V	73_T	0.524	0.95
213_P	235_I	0.522	0.95
164_P	185_Y	0.522	0.95
89_K	242_G	0.522	0.95
109_D	140_L	0.521	0.95
91_K	120_D	0.516	0.94
187_V	214_V	0.515	0.94
67_D	72_A	0.515	0.94
144_Y	185_Y	0.514	0.94
86_D	115_L	0.514	0.94
70_A	99_A	0.514	0.94
191_M	218_T	0.513	0.94
45_P	52_D	0.511	0.94
47_A	51_S	0.511	0.94
123_G	147_Q	0.510	0.94
216_S	242_G	0.510	0.94
149_L	167_L	0.508	0.94
98_R	132_Q	0.505	0.94
87_T	143_E	0.504	0.94
134_A	165_I	0.500	0.94
200_R	231_L	0.500	0.94

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
3s5sA	2	0.9609	100	0.184	Contact Map
3u9iA	2	0.9609	100	0.185	Contact Map
3rcyA	5	0.9893	100	0.187	Contact Map
3dgbA	5	0.9786	100	0.189	Contact Map
3i4kA	4	0.9786	100	0.191	Contact Map
3t6cA	5	0.9964	100	0.192	Contact Map
3fcpA	5	0.9644	100	0.192	Contact Map
2qddA	5	0.9644	100	0.198	Contact Map
3i6eA	4	0.9751	100	0.198	Contact Map
3tjiA	5	0.9964	100	0.198	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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