Q9HQ94 - HALSA - GREMLIN Contacts

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Q9HQ94 - 8-oxoguanine DNA glycosylase

UniProt:	Q9HQ94	Sequences: MERGAIPLDDVPGAVDVQATLESGQTYLWWRPDGDTYRTDGLSGGDAWYRTVIDDDVIDVRQTATAIEWRGTTDAAPIVRDALGLHDDLDAVRGAARSDPLITAAWDAYDGLRIVRDPFFGCLVSFICSAQMRVERIFEMQERLRREYGTPITFDGQTVYSVPEPSALAAATESDLRDLKLGYRAPYVQRTAAMVASGELTKRDIDGRAYELARETMTDFVGVGNKVADCVLLFSLGYLAAVPLDTWMQTAIEDHYPDCERGRYEDTSRAFREHLGPHAGYTQTYLFHYLRSGGSAPEPTE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	301 (267)
Sequences:	1234 (956)
Seq/√Len:	58.5

ECOLI - 3MG2
BACSU - 3MGA YFJP
HALSA - Q9HQ94 Q9HQ62

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
246_T	250_T	5.264	1.00
216_T	219_D	5.205	1.00
150_T	167_A	4.966	1.00
80_R	86_H	4.766	1.00
209_A	212_L	4.285	1.00
139_E	143_R	3.770	1.00
151_P	158_T	3.689	1.00
99_D	256_Y	3.490	1.00
123_L	231_V	3.448	1.00
214_R	229_D	3.314	1.00
18_Q	31_R	3.007	1.00
123_L	223_V	3.001	1.00
164_E	167_A	2.908	1.00
213_A	232_L	2.714	1.00
76_A	80_R	2.579	1.00
191_T	220_F	2.505	1.00
132_M	136_R	2.407	1.00
133_R	136_R	2.379	1.00
172_T	175_D	2.306	1.00
189_Q	193_A	2.272	1.00
214_R	232_L	2.233	1.00
120_F	124_V	2.163	1.00
190_R	194_M	2.154	1.00
99_D	275_L	2.091	1.00
210_Y	238_Y	2.038	1.00
210_Y	240_A	2.015	1.00
210_Y	241_A	2.004	1.00
153_T	158_T	2.004	1.00
116_R	237_G	1.998	1.00
88_D	91_A	1.874	1.00
148_Y	175_D	1.868	1.00
247_W	291_R	1.867	1.00
29_W	41_G	1.845	1.00
181_L	188_V	1.828	1.00
28_L	145_R	1.814	0.99
127_I	191_T	1.813	0.99
120_F	165_P	1.812	0.99
143_R	179_L	1.808	0.99
30_W	142_E	1.804	0.99
140_M	143_R	1.796	0.99
201_T	204_D	1.757	0.99
176_L	188_V	1.744	0.99
124_V	188_V	1.730	0.99
169_A	192_A	1.667	0.99
128_C	140_M	1.659	0.99
144_L	168_L	1.634	0.99
210_Y	213_A	1.622	0.99
32_P	36_T	1.619	0.99
84_G	87_D	1.587	0.99
131_Q	136_R	1.580	0.99
173_E	186_P	1.573	0.98
142_E	146_R	1.518	0.98
122_C	235_S	1.501	0.98
210_Y	232_L	1.499	0.98
82_A	117_D	1.487	0.98
17_V	52_V	1.475	0.98
276_G	279_A	1.461	0.98
173_E	177_R	1.451	0.97
125_S	141_Q	1.448	0.97
213_A	236_L	1.446	0.97
140_M	181_L	1.435	0.97
131_Q	225_N	1.409	0.97
136_R	180_K	1.376	0.96
263_R	266_D	1.369	0.96
84_G	239_L	1.346	0.96
16_D	52_V	1.332	0.96
14_A	93_R	1.325	0.96
213_A	238_Y	1.309	0.95
33_D	36_T	1.304	0.95
87_D	281_Y	1.293	0.95
136_R	140_M	1.280	0.95
81_D	86_H	1.263	0.94
249_Q	253_E	1.263	0.94
147_E	175_D	1.262	0.94
26_T	29_W	1.255	0.94
143_R	180_K	1.241	0.94
84_G	89_L	1.228	0.93
186_P	221_V	1.219	0.93
129_S	132_M	1.218	0.93
169_A	196_A	1.217	0.93
126_F	230_C	1.214	0.93
131_Q	182_G	1.200	0.93
173_E	185_A	1.187	0.92
218_T	225_N	1.184	0.92
240_A	279_A	1.182	0.92
208_R	212_L	1.170	0.92
129_S	230_C	1.167	0.91
177_R	185_A	1.164	0.91
195_V	202_K	1.162	0.91
173_E	189_Q	1.155	0.91
210_Y	214_R	1.148	0.91
225_N	282_T	1.141	0.91
92_V	281_Y	1.141	0.91
230_C	234_F	1.140	0.91
186_P	190_R	1.133	0.90
148_Y	171_A	1.122	0.90
126_F	129_S	1.100	0.89
137_I	226_K	1.099	0.89
124_V	162_V	1.091	0.88
123_L	220_F	1.088	0.88
165_P	195_V	1.078	0.88
208_R	213_A	1.075	0.88
214_R	218_T	1.066	0.87
36_T	49_Y	1.061	0.87
190_R	221_V	1.050	0.86
174_S	178_D	1.049	0.86
194_M	199_E	1.047	0.86
232_L	238_Y	1.044	0.86
29_W	248_M	1.030	0.85
275_L	282_T	1.019	0.85
227_V	287_F	1.015	0.85
190_R	193_A	1.011	0.84
81_D	116_R	1.010	0.84
124_V	191_T	1.007	0.84
28_L	121_G	1.004	0.84
269_R	273_E	1.002	0.84
247_W	250_T	0.996	0.83
167_A	192_A	0.996	0.83
226_K	230_C	0.996	0.83
165_P	192_A	0.994	0.83
140_M	179_L	0.992	0.83
200_L	220_F	0.984	0.83
126_F	137_I	0.979	0.82
193_A	197_S	0.977	0.82
136_R	139_E	0.976	0.82
14_A	88_D	0.967	0.82
146_R	158_T	0.960	0.81
30_W	138_F	0.957	0.81
127_I	187_Y	0.957	0.81
18_Q	22_E	0.955	0.81
32_P	35_D	0.952	0.81
109_Y	288_H	0.933	0.79
46_D	75_A	0.930	0.79
208_R	216_T	0.927	0.79
42_L	47_A	0.925	0.79
129_S	226_K	0.919	0.78
210_Y	229_D	0.916	0.78
72_T	76_A	0.915	0.78
59_D	62_Q	0.914	0.78
271_F	275_L	0.912	0.78
199_E	219_D	0.912	0.78
32_P	49_Y	0.912	0.78
89_L	93_R	0.908	0.77
129_S	137_I	0.907	0.77
147_E	178_D	0.904	0.77
211_E	215_E	0.903	0.77
153_T	156_G	0.903	0.77
268_S	272_R	0.900	0.77
148_Y	168_L	0.899	0.77
185_A	189_Q	0.899	0.77
176_L	181_L	0.898	0.77
183_Y	187_Y	0.895	0.76
129_S	287_F	0.890	0.76
233_L	280_G	0.890	0.76
171_A	175_D	0.889	0.76
21_L	26_T	0.889	0.76
16_D	19_A	0.887	0.76
179_L	275_L	0.885	0.75
134_V	230_C	0.882	0.75
31_R	36_T	0.877	0.75
129_S	227_V	0.877	0.75
122_C	125_S	0.873	0.74
205_I	236_L	0.869	0.74
132_M	247_W	0.867	0.74
53_I	59_D	0.866	0.74
192_A	196_A	0.862	0.74
44_G	118_P	0.857	0.73
147_E	179_L	0.852	0.73
194_M	197_S	0.846	0.72
87_D	237_G	0.845	0.72
128_C	141_Q	0.844	0.72
120_F	192_A	0.843	0.72
123_L	202_K	0.842	0.72
136_R	182_G	0.840	0.72
23_S	112_L	0.836	0.71
43_S	46_D	0.833	0.71
251_A	286_L	0.823	0.70
234_F	284_T	0.819	0.70
27_Y	137_I	0.817	0.69
233_L	283_Q	0.816	0.69
226_K	247_W	0.815	0.69
248_M	286_L	0.815	0.69
242_V	291_R	0.809	0.69
229_D	264_Y	0.807	0.69
104_A	207_G	0.801	0.68
119_F	238_Y	0.800	0.68
280_G	287_F	0.800	0.68
149_G	161_S	0.800	0.68
137_I	227_V	0.799	0.68
82_A	115_V	0.799	0.68
264_Y	268_S	0.796	0.67
31_R	35_D	0.796	0.67
133_R	180_K	0.793	0.67
152_I	161_S	0.791	0.67
16_D	23_S	0.790	0.67
190_R	220_F	0.789	0.67
143_R	146_R	0.784	0.66
183_Y	227_V	0.778	0.66
15_V	26_T	0.773	0.65
284_T	288_H	0.767	0.65
117_D	284_T	0.766	0.64
58_I	62_Q	0.766	0.64
195_V	220_F	0.765	0.64
125_S	138_F	0.764	0.64
114_I	280_G	0.762	0.64
115_V	126_F	0.760	0.64
242_V	252_I	0.754	0.63
36_T	51_T	0.753	0.63
280_G	283_Q	0.752	0.63
220_F	223_V	0.748	0.63
214_R	225_N	0.748	0.63
24_G	27_Y	0.748	0.63
129_S	134_V	0.748	0.63
238_Y	241_A	0.747	0.63
132_M	227_V	0.747	0.63
200_L	223_V	0.741	0.62
198_G	201_T	0.737	0.61
31_R	81_D	0.737	0.61
150_T	161_S	0.736	0.61
31_R	37_Y	0.735	0.61
119_F	236_L	0.733	0.61
122_C	234_F	0.731	0.61
119_F	185_A	0.727	0.60
81_D	237_G	0.726	0.60
143_R	147_E	0.723	0.60
26_T	82_A	0.720	0.60
22_E	31_R	0.720	0.60
126_F	284_T	0.720	0.60
239_L	281_Y	0.718	0.59
21_L	282_T	0.714	0.59
42_L	110_D	0.714	0.59
128_C	181_L	0.711	0.59
230_C	233_L	0.708	0.58
90_D	94_G	0.707	0.58
93_R	109_Y	0.707	0.58
194_M	220_F	0.707	0.58
18_Q	32_P	0.705	0.58
231_V	248_M	0.701	0.58
230_C	256_Y	0.700	0.58
229_D	272_R	0.699	0.57
126_F	226_K	0.696	0.57
26_T	130_A	0.695	0.57
168_L	172_T	0.693	0.57
134_V	242_V	0.693	0.57
129_S	283_Q	0.682	0.56
48_W	225_N	0.671	0.54
19_A	93_R	0.669	0.54
29_W	47_A	0.667	0.54
139_E	188_V	0.667	0.54
283_Q	287_F	0.666	0.54
132_M	226_K	0.666	0.54
166_S	196_A	0.665	0.54
226_K	287_F	0.664	0.54
136_R	227_V	0.663	0.53
212_L	215_E	0.661	0.53
99_D	102_I	0.658	0.53
242_V	271_F	0.657	0.53
137_I	233_L	0.656	0.53
119_F	202_K	0.655	0.53
252_I	271_F	0.652	0.52
80_R	167_A	0.651	0.52
132_M	141_Q	0.650	0.52
112_L	122_C	0.650	0.52
137_I	280_G	0.649	0.52
125_S	184_R	0.647	0.52
81_D	235_S	0.646	0.52
94_G	100_P	0.642	0.51
104_A	166_S	0.642	0.51
126_F	234_F	0.639	0.51
122_C	231_V	0.638	0.51
130_A	140_M	0.637	0.51
137_I	230_C	0.636	0.50
131_Q	226_K	0.632	0.50
115_V	137_I	0.631	0.50
57_V	60_V	0.630	0.50
136_R	183_Y	0.630	0.50
181_L	185_A	0.628	0.50
192_A	195_V	0.626	0.49
45_G	78_I	0.626	0.49
82_A	145_R	0.625	0.49
241_A	280_G	0.624	0.49
116_R	230_C	0.623	0.49
235_S	238_Y	0.623	0.49
244_L	248_M	0.619	0.49
133_R	179_L	0.619	0.49
93_R	290_L	0.615	0.48
183_Y	229_D	0.612	0.48
253_E	257_P	0.611	0.48
53_I	57_V	0.611	0.48
96_A	106_W	0.610	0.48
206_D	209_A	0.609	0.47
18_Q	30_W	0.607	0.47
179_L	271_F	0.607	0.47
18_Q	36_T	0.605	0.47
105_A	289_Y	0.604	0.47
78_I	82_A	0.602	0.47
244_L	264_Y	0.600	0.46
96_A	102_I	0.599	0.46
76_A	86_H	0.599	0.46
144_L	181_L	0.598	0.46
200_L	203_R	0.598	0.46
86_H	91_A	0.596	0.46
75_A	79_V	0.593	0.46
287_F	291_R	0.593	0.46
259_C	264_Y	0.590	0.45
14_A	251_A	0.586	0.45
152_I	198_G	0.585	0.45
259_C	262_G	0.585	0.45
183_Y	287_F	0.585	0.45
119_F	237_G	0.585	0.45
125_S	129_S	0.584	0.45
173_E	218_T	0.584	0.45
45_G	49_Y	0.583	0.45
136_R	185_A	0.583	0.45
155_D	203_R	0.583	0.45
74_D	77_P	0.583	0.45
169_A	193_A	0.582	0.44
33_D	42_L	0.582	0.44
194_M	221_V	0.581	0.44
134_V	226_K	0.581	0.44
130_A	187_Y	0.581	0.44
89_L	278_H	0.579	0.44
143_R	270_A	0.578	0.44
226_K	283_Q	0.573	0.44
255_H	275_L	0.570	0.43
87_D	239_L	0.569	0.43
182_G	283_Q	0.567	0.43
154_F	157_Q	0.565	0.43
270_A	274_H	0.565	0.43
110_D	143_R	0.564	0.43
165_P	196_A	0.564	0.43
32_P	212_L	0.558	0.42
282_T	286_L	0.558	0.42
281_Y	286_L	0.557	0.42
44_G	78_I	0.557	0.42
183_Y	226_K	0.557	0.42
172_T	192_A	0.557	0.42
112_L	284_T	0.557	0.42
44_G	81_D	0.555	0.42
120_F	256_Y	0.555	0.42
226_K	280_G	0.555	0.42
254_D	290_L	0.553	0.41
87_D	92_V	0.551	0.41
131_Q	227_V	0.551	0.41
232_L	240_A	0.550	0.41
91_A	169_A	0.550	0.41
31_R	34_G	0.546	0.41
150_T	160_Y	0.546	0.41
31_R	42_L	0.544	0.40
260_E	263_R	0.543	0.40
133_R	139_E	0.541	0.40
83_L	127_I	0.541	0.40
126_F	280_G	0.541	0.40
276_G	280_G	0.540	0.40
22_E	37_Y	0.540	0.40
120_F	144_L	0.539	0.40
182_G	226_K	0.538	0.40
41_G	49_Y	0.538	0.40
233_L	245_D	0.537	0.40
127_I	140_M	0.536	0.40
100_P	166_S	0.535	0.39
247_W	251_A	0.535	0.39
251_A	280_G	0.534	0.39
144_L	160_Y	0.533	0.39
51_T	61_R	0.533	0.39
58_I	155_D	0.533	0.39
47_A	159_V	0.532	0.39
51_T	147_E	0.531	0.39
194_M	219_D	0.531	0.39
23_S	284_T	0.530	0.39
247_W	290_L	0.528	0.39
103_T	107_D	0.527	0.39
129_S	136_R	0.523	0.38
248_M	284_T	0.523	0.38
132_M	229_D	0.522	0.38
61_R	107_D	0.519	0.38
17_V	51_T	0.519	0.38
140_M	185_A	0.517	0.38
29_W	286_L	0.517	0.38
137_I	283_Q	0.515	0.37
76_A	94_G	0.514	0.37
131_Q	247_W	0.514	0.37
197_S	273_E	0.514	0.37
73_T	77_P	0.513	0.37
132_M	137_I	0.513	0.37
204_D	208_R	0.513	0.37
144_L	179_L	0.512	0.37
124_V	184_R	0.512	0.37
153_T	166_S	0.511	0.37
123_L	191_T	0.509	0.37
32_P	157_Q	0.507	0.37
180_K	255_H	0.507	0.37
194_M	200_L	0.506	0.36
171_A	178_D	0.505	0.36
87_D	278_H	0.504	0.36
137_I	247_W	0.503	0.36
168_L	171_A	0.503	0.36
286_L	289_Y	0.502	0.36
134_V	283_Q	0.501	0.36
251_A	256_Y	0.500	0.36

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
2xhiA	1	0.9635	100	0.254	Contact Map
3i0wA	1	0.9402	100	0.274	Contact Map
4ejyA	1	0.9369	100	0.286	Contact Map
2jhnA	1	0.9169	100	0.427	Contact Map
1mpgA	1	0.9037	100	0.465	Contact Map
4b21A	2	0.6645	100	0.469	Contact Map
2yg9A	1	0.6744	100	0.52	Contact Map
2h56A	1	0.6944	100	0.525	Contact Map
3s6iA	1	0.6611	100	0.54	Contact Map
3fhgA	2	0.6346	100	0.653	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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