HUTG - HALSA - GREMLIN Contacts

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HUTG - Probable formimidoylglutamase

UniProt:	Q9HQD7	Sequences: MFQNATDWTPTSTDPRDEQFGGVVEPVPTPSDADDYDAVLVGEPYDGAVIGRRGARDGPSAIRESLAGVKTHHFDAGAVSGVADLGDVVLPDGDVADTQAAVREAAAEVHETAALPVFVGGDNSLSYANVAPLVAADNGAVGVVSVDAHLDCRAVGDRGPTSGTPYRQLFDAGLDALAVVGARHFETTTTYAGFLRDQGGRIVTSDAVAADRDGSLDAAREALDGVDHVYVSVDIDVLDAAYPGASAPTPGGIQPRELFALVEALAASDDRIRGFELVETAPTLDTGGRTVDAAARTIAHFLAGAQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	306 (263)
Sequences:	5249 (3364)
Seq/√Len:	207.4

ECOLI - SPEB
BACSU - HUTG SPEB ARGI
HALSA - HUTG Q9HP79
SULSO - Q97ZX8 Q97VA3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
62_I	119_V	3.757	1.00
233_V	258_L	3.701	1.00
103_R	131_A	3.260	1.00
60_S	87_D	3.192	1.00
130_V	169_L	3.161	1.00
238_L	293_A	2.965	1.00
107_A	136_A	2.614	1.00
235_I	245_A	2.409	1.00
275_F	301_F	2.337	1.00
100_A	104_E	2.147	1.00
193_G	197_D	2.106	1.00
238_L	258_L	2.053	1.00
142_G	227_D	2.036	1.00
41_V	109_V	2.016	1.00
235_I	280_T	1.966	1.00
42_G	63_R	1.965	1.00
110_H	132_P	1.951	1.00
146_V	261_L	1.925	1.00
106_A	129_N	1.916	1.00
60_S	64_E	1.915	1.00
33_A	112_T	1.914	1.00
201_R	218_A	1.910	1.00
146_V	237_V	1.885	1.00
255_P	293_A	1.882	1.00
39_V	114_A	1.870	1.00
201_R	222_A	1.868	1.00
140_A	227_D	1.845	1.00
43_E	102_V	1.845	1.00
179_V	182_A	1.831	1.00
231_V	272_I	1.828	1.00
43_E	118_F	1.822	1.00
103_R	132_P	1.820	1.00
167_R	171_D	1.807	1.00
212_R	216_L	1.792	1.00
209_A	256_R	1.790	1.00
103_R	136_A	1.757	1.00
106_A	118_F	1.757	1.00
97_D	101_A	1.754	1.00
62_I	294_A	1.739	1.00
119_V	298_I	1.666	1.00
237_V	253_I	1.665	1.00
63_R	84_D	1.661	1.00
127_Y	172_A	1.650	1.00
127_Y	131_A	1.647	1.00
277_L	298_I	1.644	1.00
107_A	111_E	1.634	1.00
178_A	201_R	1.616	1.00
46_D	56_R	1.604	1.00
118_F	129_N	1.593	1.00
280_T	294_A	1.563	1.00
63_R	87_D	1.561	1.00
110_H	133_L	1.555	1.00
94_D	97_D	1.546	1.00
194_F	198_Q	1.528	1.00
242_Y	255_P	1.513	1.00
42_G	86_G	1.506	1.00
39_V	85_L	1.499	1.00
230_Y	274_G	1.498	1.00
235_I	277_L	1.498	1.00
84_D	87_D	1.495	1.00
214_G	217_D	1.487	1.00
217_D	221_E	1.472	1.00
42_G	87_D	1.462	1.00
117_V	275_F	1.459	1.00
139_G	228_H	1.458	1.00
37_D	81_G	1.454	1.00
43_E	98_T	1.454	1.00
39_V	109_V	1.435	1.00
63_R	86_G	1.423	1.00
38_A	302_L	1.423	1.00
254_Q	257_E	1.414	1.00
263_E	300_H	1.409	1.00
125_L	278_V	1.392	1.00
211_D	215_S	1.390	1.00
209_A	257_E	1.384	1.00
133_L	141_V	1.383	1.00
182_A	202_I	1.383	1.00
62_I	280_T	1.377	1.00
99_Q	124_S	1.377	1.00
228_H	271_R	1.373	1.00
140_A	176_A	1.365	1.00
214_G	218_A	1.361	1.00
117_V	298_I	1.348	1.00
231_V	275_F	1.345	1.00
210_A	260_A	1.342	1.00
280_T	290_T	1.325	1.00
41_V	118_F	1.324	1.00
220_R	264_A	1.322	1.00
244_G	290_T	1.322	1.00
144_V	265_L	1.315	1.00
176_A	227_D	1.309	1.00
142_G	226_V	1.306	1.00
103_R	107_A	1.293	1.00
61_A	291_V	1.286	1.00
167_R	194_F	1.285	1.00
237_V	258_L	1.282	1.00
145_S	179_V	1.276	1.00
235_I	294_A	1.259	1.00
109_V	116_P	1.223	1.00
168_Q	171_D	1.219	1.00
105_A	108_E	1.219	1.00
217_D	264_A	1.209	1.00
162_S	246_S	1.206	1.00
57_D	283_T	1.200	1.00
123_N	232_S	1.196	1.00
162_S	247_A	1.195	1.00
52_R	284_L	1.182	1.00
102_V	118_F	1.181	1.00
143_V	166_Y	1.172	1.00
178_A	222_A	1.170	1.00
41_V	106_A	1.166	1.00
264_A	267_A	1.163	1.00
259_F	300_H	1.147	1.00
61_A	64_E	1.142	1.00
204_T	207_A	1.139	1.00
154_A	168_Q	1.135	1.00
42_G	84_D	1.129	1.00
41_V	105_A	1.119	1.00
99_Q	128_A	1.116	1.00
106_A	116_P	1.107	1.00
107_A	132_P	1.102	1.00
216_L	264_A	1.094	1.00
150_L	185_F	1.084	1.00
213_D	217_D	1.081	1.00
129_N	276_E	1.081	1.00
244_G	285_D	1.077	1.00
98_T	102_V	1.072	1.00
131_A	172_A	1.069	1.00
223_L	226_V	1.068	1.00
38_A	115_L	1.062	1.00
115_L	275_F	1.057	1.00
32_D	35_D	1.056	1.00
228_H	273_R	1.056	1.00
149_H	236_D	1.055	1.00
166_Y	179_V	1.052	1.00
53_R	57_D	1.049	1.00
111_E	137_D	1.037	1.00
49_V	55_A	1.032	1.00
253_I	261_L	1.029	1.00
152_C	195_L	1.024	1.00
126_S	130_V	1.019	1.00
129_N	230_Y	1.013	1.00
281_A	284_L	1.011	1.00
43_E	125_L	1.010	1.00
161_T	164_T	1.000	1.00
46_D	54_G	0.996	1.00
205_S	209_A	0.992	1.00
97_D	100_A	0.991	1.00
258_L	297_T	0.985	1.00
108_E	111_E	0.982	1.00
147_D	151_D	0.976	1.00
145_S	232_S	0.976	1.00
104_E	108_E	0.974	1.00
231_V	262_V	0.971	1.00
211_D	214_G	0.964	1.00
90_L	98_T	0.963	1.00
286_T	289_R	0.956	0.99
40_L	119_V	0.956	0.99
290_T	294_A	0.952	0.99
183_R	240_A	0.940	0.99
219_A	222_A	0.937	0.99
55_A	281_A	0.937	0.99
209_A	260_A	0.930	0.99
61_A	65_S	0.927	0.99
206_D	263_E	0.920	0.99
133_L	274_G	0.916	0.99
53_R	56_R	0.915	0.99
194_F	197_D	0.911	0.99
154_A	167_R	0.911	0.99
150_L	179_V	0.905	0.99
162_S	279_E	0.904	0.99
150_L	202_I	0.900	0.99
88_V	101_A	0.891	0.99
203_V	208_V	0.888	0.99
85_L	109_V	0.881	0.99
126_S	276_E	0.874	0.99
146_V	253_I	0.874	0.99
162_S	245_A	0.873	0.99
106_A	132_P	0.869	0.99
163_G	247_A	0.868	0.99
153_R	191_Y	0.862	0.99
141_V	273_R	0.859	0.99
150_L	182_A	0.855	0.99
166_Y	177_L	0.853	0.99
130_V	143_V	0.853	0.99
142_G	176_A	0.846	0.99
46_D	52_R	0.838	0.99
245_A	248_P	0.837	0.99
183_R	239_D	0.837	0.99
126_S	165_P	0.833	0.99
142_G	178_A	0.833	0.99
143_V	169_L	0.832	0.99
233_V	297_T	0.831	0.99
206_D	260_A	0.827	0.99
41_V	116_P	0.824	0.99
46_D	55_A	0.823	0.98
178_A	219_A	0.822	0.98
238_L	255_P	0.821	0.98
152_C	170_F	0.818	0.98
144_V	223_L	0.817	0.98
129_N	274_G	0.817	0.98
288_G	291_V	0.813	0.98
109_V	114_A	0.811	0.98
261_L	264_A	0.806	0.98
85_L	105_A	0.806	0.98
123_N	162_S	0.804	0.98
218_A	222_A	0.802	0.98
133_L	273_R	0.801	0.98
177_L	200_G	0.799	0.98
130_V	141_V	0.799	0.98
146_V	231_V	0.799	0.98
229_V	271_R	0.798	0.98
282_P	285_D	0.795	0.98
213_D	264_A	0.793	0.98
46_D	53_R	0.793	0.98
100_A	103_R	0.788	0.98
298_I	301_F	0.785	0.98
45_Y	95_V	0.784	0.98
210_A	213_D	0.779	0.98
231_V	301_F	0.779	0.98
58_G	282_P	0.774	0.98
238_L	242_Y	0.768	0.98
215_S	219_A	0.766	0.98
196_R	202_I	0.765	0.98
289_R	293_A	0.764	0.98
37_D	114_A	0.764	0.98
184_H	249_T	0.760	0.97
255_P	259_F	0.759	0.97
123_N	276_E	0.758	0.97
148_A	183_R	0.755	0.97
104_E	107_A	0.751	0.97
48_A	122_D	0.746	0.97
144_V	180_V	0.744	0.97
123_N	279_E	0.741	0.97
152_C	194_F	0.740	0.97
110_H	137_D	0.738	0.97
203_V	218_A	0.735	0.97
253_I	258_L	0.735	0.97
208_V	257_E	0.731	0.97
44_P	87_D	0.726	0.97
203_V	222_A	0.724	0.97
195_L	200_G	0.724	0.97
108_E	112_T	0.714	0.96
38_A	80_S	0.714	0.96
170_F	175_D	0.712	0.96
218_A	221_E	0.709	0.96
205_S	253_I	0.708	0.96
47_G	98_T	0.704	0.96
33_A	36_Y	0.703	0.96
142_G	223_L	0.702	0.96
138_N	228_H	0.701	0.96
208_V	261_L	0.696	0.96
58_G	61_A	0.695	0.96
244_G	280_T	0.695	0.96
285_D	288_G	0.693	0.96
65_S	291_V	0.693	0.96
183_R	249_T	0.687	0.95
154_A	159_G	0.685	0.95
259_F	297_T	0.683	0.95
243_P	290_T	0.676	0.95
116_P	133_L	0.676	0.95
58_G	281_A	0.674	0.95
118_F	125_L	0.670	0.95
151_D	279_E	0.670	0.95
101_A	104_E	0.669	0.95
48_A	95_V	0.669	0.95
50_I	247_A	0.664	0.95
124_S	160_P	0.664	0.95
141_V	228_H	0.663	0.94
219_A	223_L	0.663	0.94
64_E	288_G	0.662	0.94
126_S	166_Y	0.660	0.94
144_V	178_A	0.660	0.94
180_V	253_I	0.659	0.94
242_Y	254_Q	0.658	0.94
33_A	114_A	0.657	0.94
190_T	194_F	0.657	0.94
155_V	168_Q	0.655	0.94
38_A	117_V	0.654	0.94
36_Y	114_A	0.653	0.94
40_L	117_V	0.651	0.94
266_A	272_I	0.651	0.94
180_V	219_A	0.651	0.94
61_A	288_G	0.647	0.94
280_T	291_V	0.647	0.94
146_V	180_V	0.646	0.94
52_R	248_P	0.646	0.94
151_D	236_D	0.643	0.94
45_Y	98_T	0.638	0.93
129_N	133_L	0.632	0.93
102_V	106_A	0.629	0.93
285_D	290_T	0.626	0.93
170_F	200_G	0.626	0.93
256_R	260_A	0.624	0.93
193_G	196_R	0.624	0.93
102_V	128_A	0.624	0.93
144_V	229_V	0.621	0.92
134_V	141_V	0.620	0.92
95_V	99_Q	0.617	0.92
43_E	129_N	0.614	0.92
213_D	260_A	0.614	0.92
137_D	140_A	0.613	0.92
170_F	177_L	0.613	0.92
277_L	297_T	0.612	0.92
128_A	132_P	0.611	0.92
123_N	230_Y	0.608	0.92
145_S	166_Y	0.608	0.92
65_S	288_G	0.606	0.91
139_G	227_D	0.606	0.91
260_A	264_A	0.606	0.91
58_G	246_S	0.605	0.91
50_I	162_S	0.604	0.91
242_Y	293_A	0.594	0.91
145_S	247_A	0.591	0.90
123_N	149_H	0.591	0.90
181_G	237_V	0.591	0.90
241_A	255_P	0.590	0.90
107_A	137_D	0.589	0.90
235_I	290_T	0.589	0.90
131_A	169_L	0.589	0.90
232_S	278_V	0.589	0.90
178_A	203_V	0.585	0.90
155_V	159_G	0.584	0.90
152_C	198_Q	0.584	0.90
164_T	168_Q	0.583	0.90
212_R	261_L	0.581	0.90
134_V	172_A	0.579	0.89
41_V	85_L	0.578	0.89
245_A	281_A	0.578	0.89
180_V	208_V	0.577	0.89
277_L	294_A	0.576	0.89
203_V	207_A	0.576	0.89
153_R	247_A	0.571	0.89
37_D	83_A	0.568	0.89
230_Y	276_E	0.568	0.89
98_T	101_A	0.567	0.88
211_D	257_E	0.566	0.88
127_Y	168_Q	0.565	0.88
227_D	271_R	0.564	0.88
147_D	236_D	0.564	0.88
73_H	300_H	0.564	0.88
212_R	260_A	0.563	0.88
102_V	125_L	0.563	0.88
251_G	259_F	0.562	0.88
134_V	173_G	0.561	0.88
203_V	215_S	0.560	0.88
264_A	269_D	0.558	0.88
120_G	125_L	0.557	0.88
88_V	105_A	0.557	0.88
143_V	177_L	0.555	0.87
150_L	153_R	0.555	0.87
163_G	236_D	0.554	0.87
36_Y	83_A	0.554	0.87
226_V	229_V	0.554	0.87
66_L	69_V	0.551	0.87
187_T	193_G	0.550	0.87
150_L	195_L	0.549	0.87
61_A	280_T	0.545	0.86
49_V	53_R	0.545	0.86
215_S	218_A	0.544	0.86
288_G	292_D	0.544	0.86
91_P	101_A	0.543	0.86
126_S	278_V	0.542	0.86
229_V	272_I	0.538	0.86
47_G	95_V	0.538	0.86
272_I	301_F	0.538	0.86
244_G	282_P	0.535	0.85
295_A	298_I	0.534	0.85
229_V	270_D	0.534	0.85
134_V	176_A	0.533	0.85
101_A	105_A	0.533	0.85
62_I	295_A	0.529	0.85
54_G	246_S	0.528	0.85
105_A	109_V	0.528	0.85
54_G	281_A	0.528	0.85
216_L	220_R	0.528	0.85
178_A	223_L	0.527	0.85
61_A	282_P	0.525	0.84
60_S	288_G	0.524	0.84
170_F	173_G	0.518	0.84
239_D	242_Y	0.518	0.84
232_S	276_E	0.518	0.84
40_L	82_V	0.518	0.84
111_E	136_A	0.513	0.83
185_F	299_A	0.512	0.83
275_F	298_I	0.511	0.83
158_R	164_T	0.509	0.83
265_L	270_D	0.508	0.82
94_D	158_R	0.507	0.82
170_F	194_F	0.504	0.82
186_E	191_Y	0.503	0.82
292_D	295_A	0.502	0.82
150_L	192_A	0.500	0.81
95_V	161_T	0.500	0.81

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
1xfkA	1	0.9575	100	0.172	Contact Map
3m1rA	5	0.9771	100	0.199	Contact Map
1gq6A	5	0.9412	100	0.202	Contact Map
3niqA	5	0.9608	100	0.205	Contact Map
3nioA	5	0.9444	100	0.208	Contact Map
1wohA	5	0.9477	100	0.215	Contact Map
4mykA	3	0.8922	100	0.219	Contact Map
4q40A	5	0.8693	100	0.233	Contact Map
4dz4A	5	0.9444	100	0.235	Contact Map
2cevA	5	0.8562	100	0.244	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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