Q9HQF5 - HALSA - GREMLIN Contacts

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Q9HQF5 - Coenzyme PQQ synthesis protein

UniProt:	Q9HQF5	Sequences: MTPVDTSERPVVLVWEVTQACALACDHCRASARPQRHPSELSTAEGKQLLTDAAAFGDGQLVVLSGGDPLARPDTVELVEHGTDCGLRMTVTPSGTASLTPTAIEALADAGVAQFAVSIDGATPTTHDEFRGEAGSFERTLRAARAIRELGVPLQVNTTVCADTVEALPAIRDLVAELGVALWSVFFLVPVGRGRALDPVSPARAEEVMAWLDGVARSEAFGVKTTEAPMYRRVRAQRGGDGAPQRRAGVTAGDGFAFVSHTGAVYPSGFLPSSAGNVRERSVVDSYRNSELFQRLRDTEALTGKCGACSFRTVCGGSRSRAYATTGEPMASDPLCPHVPDGYDGPLPDRQATADD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	356 (300)
Sequences:	10397 (8087)
Seq/√Len:	466.9

ECOLI - ASLB YDEM MOAA
BACSU - ALBA SKFB MOAA YYDG
HALSA - Q9HQF5 MOAA Q9HQF7
SULSO - Q97XA6 Q97XS8 Q97XA7 Q97XS7 Q7LXV3 Q97XZ2 Q97WK5 Q97Y04 MOAA Q97WC3 Q980E0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
23_L	96_T	4.147	1.00
47_K	81_H	3.568	1.00
123_T	138_E	3.307	1.00
145_R	178_L	3.164	1.00
101_P	146_A	3.020	1.00
105_E	150_L	2.969	1.00
51_T	81_H	2.855	1.00
42_S	45_E	2.669	1.00
128_D	135_G	2.547	1.00
22_A	94_S	2.539	1.00
45_E	279_R	2.500	1.00
264_A	277_N	2.474	1.00
48_Q	52_D	2.436	1.00
76_V	106_A	2.435	1.00
146_A	149_E	2.334	1.00
43_T	77_E	2.261	1.00
105_E	109_D	2.228	1.00
120_D	131_R	2.193	1.00
264_A	274_S	2.191	1.00
137_F	174_L	2.165	1.00
250_V	268_S	2.159	1.00
13_L	53_A	2.139	1.00
83_T	113_A	2.105	1.00
126_T	167_A	2.080	1.00
173_D	215_V	2.059	1.00
282_S	285_D	2.044	1.00
167_A	170_A	2.042	1.00
20_A	40_E	1.931	1.00
122_A	126_T	1.921	1.00
81_H	84_D	1.869	1.00
169_P	211_W	1.862	1.00
158_T	171_I	1.854	1.00
95_G	117_V	1.834	1.00
122_A	167_A	1.825	1.00
46_G	78_L	1.823	1.00
50_L	82_G	1.784	1.00
43_T	74_D	1.784	1.00
76_V	103_A	1.772	1.00
260_S	264_A	1.753	1.00
156_V	175_V	1.738	1.00
137_F	141_L	1.716	1.00
142_R	145_R	1.700	1.00
101_P	149_E	1.700	1.00
22_A	97_A	1.687	1.00
277_N	280_E	1.687	1.00
260_S	266_Y	1.684	1.00
77_E	80_E	1.677	1.00
106_A	110_A	1.674	1.00
145_R	149_E	1.669	1.00
27_H	120_D	1.663	1.00
146_A	150_L	1.659	1.00
281_R	285_D	1.657	1.00
51_T	85_C	1.638	1.00
117_V	144_A	1.633	1.00
139_R	142_R	1.631	1.00
145_R	148_R	1.622	1.00
70_L	91_V	1.621	1.00
174_L	178_L	1.620	1.00
80_E	106_A	1.610	1.00
138_E	142_R	1.605	1.00
43_T	47_K	1.599	1.00
173_D	177_E	1.595	1.00
45_E	48_Q	1.595	1.00
80_E	84_D	1.593	1.00
74_D	77_E	1.583	1.00
64_L	82_G	1.579	1.00
129_E	163_D	1.560	1.00
100_T	103_A	1.553	1.00
47_K	77_E	1.549	1.00
108_A	150_L	1.528	1.00
106_A	109_D	1.502	1.00
47_K	51_T	1.482	1.00
17_V	64_L	1.479	1.00
170_A	173_D	1.467	1.00
201_S	204_R	1.443	1.00
26_D	129_E	1.419	1.00
62_V	82_G	1.414	1.00
104_I	146_A	1.412	1.00
121_G	126_T	1.401	1.00
103_A	106_A	1.400	1.00
117_V	143_A	1.400	1.00
142_R	146_A	1.398	1.00
104_I	143_A	1.392	1.00
54_A	85_C	1.388	1.00
73_P	76_V	1.375	1.00
207_E	211_W	1.354	1.00
101_P	150_L	1.350	1.00
83_T	89_M	1.329	1.00
115_F	147_I	1.328	1.00
140_T	143_A	1.323	1.00
127_H	136_S	1.316	1.00
173_D	176_A	1.315	1.00
79_V	112_V	1.311	1.00
123_T	167_A	1.307	1.00
82_G	89_M	1.307	1.00
41_L	45_E	1.286	1.00
70_L	97_A	1.284	1.00
80_E	110_A	1.283	1.00
162_A	204_R	1.279	1.00
92_T	116_A	1.266	1.00
64_L	89_M	1.259	1.00
148_R	179_G	1.254	1.00
83_T	110_A	1.245	1.00
79_V	110_A	1.239	1.00
284_V	288_R	1.237	1.00
40_E	72_R	1.236	1.00
204_R	207_E	1.231	1.00
72_R	78_L	1.223	1.00
212_L	216_A	1.219	1.00
141_L	178_L	1.213	1.00
141_L	145_R	1.205	1.00
220_A	223_V	1.203	1.00
52_D	282_S	1.182	1.00
15_W	46_G	1.168	1.00
123_T	128_D	1.166	1.00
206_E	210_A	1.153	1.00
285_D	289_N	1.152	1.00
207_E	210_A	1.143	1.00
200_V	204_R	1.141	1.00
88_R	114_Q	1.135	1.00
265_V	286_S	1.128	1.00
19_Q	261_H	1.121	1.00
54_A	87_L	1.113	1.00
127_H	140_T	1.108	1.00
104_I	150_L	1.106	1.00
169_P	173_D	1.105	1.00
103_A	107_L	1.104	1.00
130_F	161_C	1.100	1.00
81_H	85_C	1.089	1.00
101_P	142_R	1.087	1.00
49_L	259_V	1.083	1.00
77_E	81_H	1.082	1.00
203_A	207_E	1.072	1.00
291_E	295_R	1.067	1.00
158_T	183_W	1.067	1.00
200_V	203_A	1.066	1.00
78_L	82_G	1.064	1.00
141_L	174_L	1.063	1.00
104_I	108_A	1.058	1.00
108_A	152_V	1.053	1.00
128_D	136_S	1.052	1.00
11_V	59_G	1.052	1.00
121_G	137_F	1.048	1.00
125_T	129_E	1.047	1.00
148_R	178_L	1.046	1.00
211_W	214_G	1.039	1.00
102_T	105_E	1.037	1.00
23_L	136_S	1.034	1.00
91_V	107_L	1.025	1.00
211_W	215_V	1.024	1.00
122_A	174_L	1.013	1.00
22_A	68_D	1.010	1.00
291_E	294_Q	1.006	1.00
41_L	46_G	1.004	1.00
210_A	214_G	1.003	1.00
43_T	81_H	1.001	1.00
116_A	157_N	0.997	1.00
148_R	154_L	0.988	1.00
117_V	147_I	0.980	1.00
70_L	103_A	0.978	1.00
156_V	180_V	0.978	1.00
223_V	226_T	0.975	1.00
126_T	129_E	0.974	1.00
215_V	219_E	0.971	1.00
126_T	166_E	0.971	1.00
221_F	225_T	0.965	1.00
169_P	215_V	0.960	1.00
48_Q	51_T	0.954	1.00
128_D	131_R	0.947	1.00
64_L	79_V	0.946	1.00
48_Q	279_R	0.945	1.00
17_V	75_T	0.938	1.00
139_R	143_A	0.935	1.00
147_I	152_V	0.934	1.00
22_A	96_T	0.934	1.00
122_A	170_A	0.932	1.00
52_D	56_F	0.931	1.00
215_V	218_S	0.931	1.00
119_I	156_V	0.925	1.00
70_L	75_T	0.922	1.00
99_L	104_I	0.922	1.00
304_G	307_G	0.921	1.00
18_T	40_E	0.919	1.00
143_A	146_A	0.918	1.00
27_H	130_F	0.916	1.00
292_L	295_R	0.909	1.00
171_I	175_V	0.909	1.00
144_A	154_L	0.900	1.00
115_F	152_V	0.900	1.00
281_R	289_N	0.899	1.00
39_S	262_T	0.894	1.00
53_A	62_V	0.894	1.00
175_V	180_V	0.894	1.00
50_L	62_V	0.890	1.00
29_R	65_S	0.890	1.00
118_S	159_T	0.881	1.00
147_I	154_L	0.877	1.00
51_T	55_A	0.871	1.00
127_H	131_R	0.870	1.00
287_Y	297_R	0.869	1.00
266_Y	274_S	0.867	1.00
306_C	315_C	0.865	1.00
276_G	279_R	0.865	1.00
75_T	79_V	0.864	1.00
148_R	180_V	0.857	1.00
26_D	130_F	0.857	1.00
13_L	257_A	0.857	1.00
17_V	78_L	0.856	1.00
144_A	156_V	0.853	1.00
91_V	115_F	0.852	1.00
94_S	97_A	0.852	1.00
210_A	213_D	0.851	1.00
11_V	255_G	0.849	1.00
188_L	194_G	0.848	1.00
156_V	183_W	0.844	1.00
276_G	286_S	0.843	1.00
68_D	94_S	0.839	1.00
17_V	72_R	0.838	1.00
70_L	143_A	0.830	1.00
52_D	55_A	0.823	1.00
205_A	208_V	0.819	1.00
16_E	258_F	0.817	1.00
105_E	108_A	0.816	1.00
47_K	84_D	0.815	1.00
50_L	85_C	0.812	1.00
274_S	277_N	0.811	1.00
50_L	87_L	0.808	1.00
44_A	47_K	0.807	1.00
102_T	106_A	0.801	1.00
15_W	49_L	0.801	1.00
281_R	286_S	0.798	1.00
276_G	281_R	0.794	1.00
43_T	78_L	0.793	1.00
99_L	117_V	0.792	1.00
206_E	209_M	0.792	1.00
41_L	49_L	0.789	1.00
88_R	113_A	0.786	1.00
108_A	151_G	0.784	1.00
166_E	204_R	0.773	1.00
79_V	89_M	0.772	1.00
27_H	131_R	0.772	1.00
295_R	298_D	0.771	1.00
257_A	283_V	0.767	1.00
60_Q	88_R	0.766	1.00
15_W	259_V	0.766	1.00
16_E	65_S	0.764	1.00
93_P	117_V	0.764	1.00
123_T	137_F	0.763	1.00
16_E	261_H	0.761	1.00
144_A	180_V	0.756	1.00
72_R	75_T	0.754	1.00
89_M	112_V	0.752	1.00
127_H	137_F	0.752	1.00
52_D	284_V	0.751	1.00
127_H	135_G	0.749	1.00
228_A	232_R	0.749	1.00
63_V	92_T	0.747	1.00
123_T	170_A	0.746	1.00
160_V	168_L	0.745	1.00
283_V	287_Y	0.745	1.00
203_A	206_E	0.744	1.00
121_G	127_H	0.743	1.00
65_S	92_T	0.742	1.00
119_I	137_F	0.742	1.00
202_P	206_E	0.741	1.00
104_I	147_I	0.740	1.00
43_T	72_R	0.740	1.00
99_L	147_I	0.738	1.00
13_L	259_V	0.737	1.00
105_E	146_A	0.736	1.00
121_G	131_R	0.732	1.00
172_R	176_A	0.732	1.00
121_G	167_A	0.731	1.00
209_M	213_D	0.730	1.00
276_G	280_E	0.728	1.00
68_D	71_A	0.725	1.00
123_T	126_T	0.725	1.00
114_Q	155_Q	0.724	1.00
128_D	137_F	0.723	1.00
153_P	181_A	0.722	1.00
275_A	293_F	0.721	1.00
143_A	147_I	0.719	1.00
133_E	136_S	0.718	1.00
99_L	107_L	0.715	1.00
46_G	49_L	0.714	1.00
63_V	90_T	0.713	1.00
76_V	110_A	0.711	1.00
99_L	143_A	0.710	1.00
18_T	72_R	0.707	1.00
208_V	212_L	0.706	1.00
97_A	100_T	0.705	1.00
92_T	157_N	0.705	1.00
174_L	177_E	0.703	1.00
136_S	139_R	0.701	1.00
138_E	141_L	0.701	1.00
65_S	269_G	0.698	1.00
101_P	105_E	0.696	1.00
148_R	181_A	0.695	1.00
53_A	58_D	0.694	1.00
175_V	178_L	0.693	1.00
114_Q	153_P	0.688	1.00
79_V	82_G	0.686	1.00
46_G	72_R	0.686	1.00
294_Q	298_D	0.683	1.00
49_L	53_A	0.679	1.00
293_F	297_R	0.678	1.00
119_I	141_L	0.677	1.00
23_L	127_H	0.674	1.00
257_A	287_Y	0.673	1.00
294_Q	297_R	0.671	1.00
62_V	89_M	0.671	1.00
62_V	87_L	0.668	1.00
83_T	111_G	0.666	1.00
55_A	284_V	0.665	1.00
205_A	209_M	0.664	1.00
26_D	132_G	0.661	1.00
70_L	107_L	0.657	1.00
233_R	237_Q	0.656	1.00
72_R	77_E	0.654	1.00
169_P	172_R	0.653	1.00
64_L	78_L	0.653	1.00
265_V	283_V	0.653	1.00
209_M	212_L	0.650	1.00
92_T	269_G	0.647	1.00
158_T	175_V	0.647	1.00
267_P	271_L	0.647	1.00
14_V	269_G	0.646	1.00
30_A	65_S	0.644	1.00
231_Y	234_V	0.642	1.00
282_S	286_S	0.642	1.00
128_D	133_E	0.640	1.00
304_G	308_A	0.639	1.00
168_L	208_V	0.639	1.00
76_V	80_E	0.638	1.00
165_V	204_R	0.637	1.00
22_A	71_A	0.636	1.00
145_R	177_E	0.636	1.00
49_L	52_D	0.636	1.00
234_V	237_Q	0.633	1.00
171_I	174_L	0.632	0.99
231_Y	237_Q	0.632	0.99
279_R	282_S	0.630	0.99
71_A	97_A	0.627	0.99
79_V	106_A	0.627	0.99
116_A	155_Q	0.626	0.99
194_G	197_L	0.626	0.99
229_P	232_R	0.625	0.99
302_L	312_R	0.624	0.99
161_C	164_T	0.624	0.99
21_C	25_C	0.624	0.99
202_P	205_A	0.623	0.99
229_P	233_R	0.622	0.99
25_C	28_C	0.618	0.99
119_I	140_T	0.617	0.99
91_V	112_V	0.617	0.99
20_A	38_P	0.613	0.99
157_N	186_F	0.612	0.99
78_L	81_H	0.612	0.99
117_V	140_T	0.612	0.99
68_D	93_P	0.607	0.99
232_R	238_R	0.607	0.99
213_D	217_R	0.606	0.99
224_K	227_E	0.604	0.99
222_G	226_T	0.601	0.99
76_V	79_V	0.596	0.99
258_F	269_G	0.594	0.99
47_K	85_C	0.591	0.99
24_A	31_S	0.591	0.99
96_T	143_A	0.588	0.99
213_D	216_A	0.587	0.99
142_R	149_E	0.585	0.99
45_E	49_L	0.583	0.99
14_V	256_F	0.582	0.99
74_D	78_L	0.582	0.99
46_G	50_L	0.580	0.99
186_F	189_V	0.579	0.99
82_G	87_L	0.576	0.99
90_T	114_Q	0.576	0.99
31_S	132_G	0.575	0.99
101_P	104_I	0.575	0.99
10_P	287_Y	0.574	0.99
214_G	218_S	0.574	0.99
21_C	28_C	0.573	0.99
199_P	202_P	0.573	0.99
27_H	30_A	0.572	0.99
50_L	64_L	0.571	0.99
190_P	193_R	0.565	0.99
43_T	46_G	0.565	0.99
44_A	48_Q	0.563	0.99
14_V	65_S	0.562	0.99
175_V	179_G	0.560	0.99
230_M	234_V	0.559	0.99
96_T	139_R	0.556	0.99
193_R	196_A	0.555	0.99
204_R	208_V	0.555	0.99
247_R	250_V	0.551	0.99
51_T	54_A	0.551	0.99
172_R	183_W	0.550	0.99
212_L	215_V	0.550	0.99
169_P	214_G	0.549	0.99
83_T	86_G	0.547	0.99
222_G	225_T	0.547	0.99
16_E	30_A	0.546	0.99
231_Y	235_R	0.545	0.99
259_V	265_V	0.543	0.98
295_R	299_T	0.542	0.98
144_A	178_L	0.542	0.98
29_R	315_C	0.538	0.98
232_R	235_R	0.536	0.98
200_V	206_E	0.534	0.98
37_H	40_E	0.533	0.98
192_G	196_A	0.533	0.98
305_K	308_A	0.533	0.98
167_A	171_I	0.533	0.98
160_V	185_V	0.532	0.98
80_E	109_D	0.531	0.98
214_G	217_R	0.530	0.98
219_E	222_G	0.530	0.98
100_T	143_A	0.529	0.98
201_S	209_M	0.529	0.98
32_A	193_R	0.527	0.98
275_A	280_E	0.524	0.98
311_F	314_V	0.524	0.98
68_D	95_G	0.524	0.98
192_G	195_R	0.521	0.98
190_P	194_G	0.521	0.98
216_A	219_E	0.519	0.98
191_V	194_G	0.519	0.98
235_R	238_R	0.517	0.98
108_A	113_A	0.517	0.98
75_T	91_V	0.517	0.98
248_A	251_T	0.517	0.98
23_L	140_T	0.515	0.98
12_V	63_V	0.513	0.98
15_W	50_L	0.513	0.98
24_A	133_E	0.511	0.98
170_A	174_L	0.510	0.98
166_E	169_P	0.509	0.98
27_H	92_T	0.509	0.98
267_P	270_F	0.507	0.98
92_T	270_F	0.507	0.98
131_R	135_G	0.507	0.98
173_D	219_E	0.506	0.98
122_A	137_F	0.505	0.98
225_T	228_A	0.504	0.98
293_F	296_L	0.502	0.97
125_T	128_D	0.501	0.97
136_S	140_T	0.500	0.97
291_E	297_R	0.500	0.97
96_T	136_S	0.500	0.97

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
4k36A	1	0.9522	100	0.311	Contact Map
1tv8A	2	0.8427	100	0.495	Contact Map
4m7tA	1	0.6601	100	0.497	Contact Map
4rtbA	2	0.8876	100	0.535	Contact Map
4wcxA	1	0.941	100	0.563	Contact Map
3c8fA	1	0.618	100	0.594	Contact Map
2yx0A	1	0.6798	100	0.617	Contact Map
2qgqA	1	0.7135	99.9	0.626	Contact Map
2z2uA	1	0.5983	99.9	0.63	Contact Map
4jc0A	1	0.8006	99.9	0.65	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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