Q9HPQ6 - HALSA - GREMLIN Contacts

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Q9HPQ6 - A/G specific adenine glycosylase, repair protein

UniProt:	Q9HPQ6	Sequences: MTTGDGSDRAGATGPADTTALQTALVDWYTDSHRSFPWRETTDPYEILVSEVMSQQTQLSRVIDAWRAFLDRWPTTAALAAADRSDVVGFWSAHSLGYNNRATHLHEAAQQVETDYDGAIPRTPAELSELMGVGPYTANAVASFAFNAGNAVVDTNVKRVLYRAFEGIRDDDDPDYRPLANELLPDGTSRVWNNAVMELGAVACQQTPRCDEAECPLREWCHAYQTGDFTAPDVPTQPSFEGSRRQFRGRIVRLLGEHDEMELDALGHRVRVDYTPDGEYGREWLRGLLSDLADDGLVRTEYRGERTVVRLE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	312 (256)
Sequences:	1908 (1401)
Seq/√Len:	87.6

ECOLI - MUTY END3
BACSU - YFHQ END3
HALSA - Q9HPQ6 Q9HS56 Q9HRQ5
SULSO - Q97VX0 Q7LXY0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
35_S	40_E	4.334	1.00
123_T	126_E	4.311	1.00
75_T	78_A	4.260	1.00
30_T	188_T	3.560	1.00
72_R	86_D	3.435	1.00
106_H	110_Q	3.332	1.00
122_R	148_A	2.572	1.00
111_Q	131_M	2.521	1.00
209_R	214_E	2.459	1.00
116_Y	129_E	2.372	1.00
211_D	214_E	2.335	1.00
41_T	47_I	2.222	1.00
30_T	191_V	2.220	1.00
111_Q	115_D	2.216	1.00
24_A	220_W	2.198	1.00
253_R	257_E	2.186	1.00
72_R	90_F	2.172	1.00
49_V	105_L	2.156	1.00
67_R	71_D	2.151	1.00
29_Y	194_N	2.150	1.00
259_D	272_V	2.128	1.00
218_R	224_Y	2.088	1.00
119_A	122_R	2.085	1.00
188_T	191_V	2.070	1.00
135_P	177_R	2.054	1.00
222_H	226_T	2.050	1.00
73_W	90_F	2.036	1.00
77_A	113_E	2.017	1.00
54_S	59_L	1.988	1.00
43_D	46_E	1.985	1.00
46_E	70_L	1.954	1.00
126_E	129_E	1.924	1.00
48_L	141_V	1.862	1.00
127_L	142_A	1.858	1.00
174_P	178_P	1.856	1.00
164_A	217_L	1.847	1.00
107_E	131_M	1.842	1.00
66_W	70_L	1.810	1.00
83_D	86_D	1.810	1.00
89_G	92_S	1.791	1.00
210_C	221_C	1.780	1.00
84_R	106_H	1.763	1.00
49_V	70_L	1.757	1.00
41_T	46_E	1.701	1.00
166_E	222_H	1.692	1.00
128_S	135_P	1.681	1.00
108_A	130_L	1.642	1.00
102_A	105_L	1.628	1.00
174_P	177_R	1.627	1.00
87_V	106_H	1.614	1.00
26_V	30_T	1.609	1.00
46_E	66_W	1.585	1.00
124_P	128_S	1.582	1.00
82_A	87_V	1.568	1.00
198_E	202_V	1.562	1.00
68_A	90_F	1.552	1.00
104_H	107_E	1.547	1.00
77_A	81_A	1.535	1.00
143_S	193_N	1.493	1.00
210_C	215_C	1.492	1.00
73_W	82_A	1.473	0.99
119_A	146_F	1.458	0.99
26_V	191_V	1.454	0.99
204_C	210_C	1.454	0.99
224_Y	228_D	1.446	0.99
205_Q	209_R	1.433	0.99
33_H	198_E	1.431	0.99
113_E	118_G	1.420	0.99
215_C	221_C	1.412	0.99
176_Y	180_A	1.411	0.99
116_Y	126_E	1.411	0.99
21_L	217_L	1.402	0.99
127_L	141_V	1.394	0.99
228_D	232_P	1.383	0.99
60_S	63_I	1.378	0.99
204_C	221_C	1.374	0.99
124_P	150_N	1.371	0.99
120_I	127_L	1.365	0.99
166_E	226_T	1.362	0.99
112_V	120_I	1.354	0.99
22_Q	185_P	1.341	0.99
265_A	268_H	1.312	0.99
124_P	142_A	1.309	0.99
29_Y	33_H	1.308	0.99
115_D	126_E	1.299	0.99
204_C	215_C	1.290	0.99
261_M	265_A	1.281	0.98
64_D	67_R	1.268	0.98
142_A	150_N	1.264	0.98
150_N	181_N	1.255	0.98
228_D	231_A	1.252	0.98
139_N	151_A	1.228	0.98
43_D	47_I	1.224	0.98
48_L	52_V	1.219	0.98
166_E	228_D	1.218	0.98
53_M	62_V	1.208	0.98
139_N	152_V	1.207	0.98
190_R	195_A	1.206	0.98
58_Q	61_R	1.178	0.97
262_E	265_A	1.176	0.97
161_L	180_A	1.164	0.97
272_V	275_T	1.163	0.97
165_F	179_L	1.140	0.97
33_H	191_V	1.138	0.97
84_R	88_V	1.138	0.97
83_D	106_H	1.120	0.96
224_Y	229_F	1.117	0.96
153_V	176_Y	1.114	0.96
177_R	181_N	1.112	0.96
232_P	235_P	1.106	0.96
63_I	67_R	1.101	0.96
149_G	190_R	1.093	0.96
92_S	95_S	1.093	0.96
25_L	195_A	1.089	0.96
110_Q	114_T	1.084	0.96
107_E	110_Q	1.079	0.96
142_A	148_A	1.063	0.95
152_V	177_R	1.060	0.95
253_R	256_G	1.056	0.95
111_Q	116_Y	1.053	0.95
144_F	190_R	1.051	0.95
164_A	220_W	1.048	0.95
271_R	274_Y	1.045	0.95
20_A	24_A	1.042	0.95
77_A	118_G	1.024	0.94
142_A	146_F	1.003	0.94
36_F	59_L	0.987	0.93
185_P	189_S	0.985	0.93
223_A	229_F	0.983	0.93
79_L	87_V	0.982	0.93
151_A	181_N	0.979	0.93
161_L	164_A	0.971	0.92
26_V	195_A	0.968	0.92
44_P	146_F	0.967	0.92
136_Y	140_A	0.962	0.92
177_R	180_A	0.942	0.91
39_R	136_Y	0.936	0.91
254_L	257_E	0.924	0.90
175_D	179_L	0.917	0.90
52_V	141_V	0.916	0.90
220_W	224_Y	0.914	0.90
260_E	269_R	0.910	0.90
41_T	70_L	0.908	0.90
238_P	243_S	0.901	0.89
270_V	275_T	0.901	0.89
108_A	112_V	0.899	0.89
275_T	278_G	0.897	0.89
82_A	88_V	0.897	0.89
124_P	138_A	0.896	0.89
42_T	47_I	0.896	0.89
100_N	104_H	0.894	0.89
29_Y	191_V	0.888	0.89
143_S	150_N	0.887	0.89
42_T	54_S	0.882	0.88
36_F	39_R	0.872	0.88
180_A	183_L	0.871	0.88
267_G	271_R	0.863	0.87
73_W	86_D	0.863	0.87
170_D	235_P	0.860	0.87
127_L	150_N	0.860	0.87
113_E	116_Y	0.855	0.87
82_A	86_D	0.852	0.86
262_E	268_H	0.850	0.86
153_V	161_L	0.845	0.86
84_R	110_Q	0.839	0.86
163_R	208_P	0.838	0.86
169_R	175_D	0.833	0.85
261_M	267_G	0.831	0.85
84_R	103_T	0.830	0.85
27_D	31_D	0.826	0.85
166_E	232_P	0.820	0.84
124_P	139_N	0.819	0.84
29_Y	39_R	0.819	0.84
244_R	248_R	0.813	0.84
222_H	225_Q	0.807	0.83
270_V	273_D	0.805	0.83
180_A	184_L	0.800	0.83
261_M	264_D	0.800	0.83
261_M	270_V	0.796	0.83
95_S	253_R	0.796	0.83
52_V	133_V	0.795	0.82
189_S	193_N	0.794	0.82
85_S	106_H	0.781	0.81
136_Y	198_E	0.780	0.81
161_L	196_V	0.779	0.81
270_V	274_Y	0.777	0.81
127_L	133_V	0.774	0.81
199_L	203_A	0.770	0.80
49_V	145_A	0.770	0.80
263_L	266_L	0.764	0.80
264_D	268_H	0.763	0.80
115_D	129_E	0.762	0.80
199_L	216_P	0.760	0.80
85_S	88_V	0.754	0.79
179_L	182_E	0.754	0.79
251_I	267_G	0.753	0.79
54_S	63_I	0.751	0.79
168_I	232_P	0.750	0.79
136_Y	152_V	0.749	0.79
198_E	201_A	0.749	0.79
171_D	177_R	0.748	0.78
100_N	103_T	0.745	0.78
76_T	120_I	0.745	0.78
157_V	198_E	0.743	0.78
151_A	192_W	0.743	0.78
65_A	92_S	0.740	0.78
246_Q	249_G	0.738	0.77
21_L	164_A	0.738	0.77
149_G	186_D	0.738	0.77
260_E	264_D	0.738	0.77
53_M	61_R	0.731	0.77
260_E	270_V	0.730	0.77
127_L	138_A	0.729	0.77
112_V	127_L	0.729	0.77
26_V	188_T	0.728	0.77
25_L	196_V	0.727	0.76
259_D	275_T	0.724	0.76
247_F	250_R	0.720	0.76
149_G	189_S	0.716	0.75
25_L	199_L	0.715	0.75
42_T	46_E	0.715	0.75
139_N	150_N	0.714	0.75
151_A	193_N	0.713	0.75
20_A	220_W	0.713	0.75
147_N	190_R	0.713	0.75
242_G	245_R	0.712	0.75
245_R	248_R	0.711	0.75
24_A	219_E	0.710	0.75
128_S	138_A	0.709	0.75
124_P	143_S	0.706	0.74
193_N	196_V	0.706	0.74
23_T	115_D	0.700	0.74
149_G	185_P	0.700	0.74
22_Q	186_D	0.698	0.73
264_D	269_R	0.698	0.73
271_R	276_P	0.697	0.73
108_A	193_N	0.695	0.73
272_V	276_P	0.692	0.73
167_G	179_L	0.689	0.73
104_H	238_P	0.689	0.73
110_Q	113_E	0.688	0.72
59_L	62_V	0.687	0.72
125_A	129_E	0.686	0.72
192_W	196_V	0.681	0.72
49_V	108_A	0.679	0.71
19_T	23_T	0.679	0.71
208_P	221_C	0.679	0.71
87_V	102_A	0.675	0.71
124_P	148_A	0.674	0.71
178_P	181_N	0.667	0.70
152_V	158_K	0.666	0.70
68_A	72_R	0.665	0.70
82_A	106_H	0.664	0.70
78_A	81_A	0.664	0.70
158_K	176_Y	0.663	0.70
169_R	172_D	0.662	0.69
73_W	87_V	0.661	0.69
120_I	146_F	0.660	0.69
109_A	116_Y	0.660	0.69
145_A	189_S	0.659	0.69
101_R	156_N	0.659	0.69
47_I	145_A	0.656	0.69
48_L	76_T	0.656	0.69
211_D	218_R	0.655	0.69
53_M	96_L	0.650	0.68
153_V	170_D	0.645	0.68
241_E	246_Q	0.642	0.67
270_V	277_D	0.641	0.67
168_I	234_V	0.639	0.67
253_R	258_H	0.638	0.67
102_A	106_H	0.638	0.67
199_L	217_L	0.635	0.66
27_D	30_T	0.635	0.66
229_F	232_P	0.632	0.66
22_Q	192_W	0.631	0.66
48_L	108_A	0.629	0.66
208_P	229_F	0.624	0.65
260_E	265_A	0.623	0.65
157_V	193_N	0.622	0.65
123_T	142_A	0.621	0.65
273_D	276_P	0.620	0.64
123_T	148_A	0.620	0.64
261_M	268_H	0.619	0.64
47_I	66_W	0.618	0.64
61_R	158_K	0.618	0.64
165_F	183_L	0.616	0.64
184_L	193_N	0.612	0.63
163_R	204_C	0.609	0.63
108_A	111_Q	0.609	0.63
95_S	99_N	0.608	0.63
86_D	89_G	0.607	0.63
136_Y	153_V	0.606	0.63
244_R	249_G	0.604	0.62
267_G	270_V	0.603	0.62
108_A	133_V	0.600	0.62
208_P	215_C	0.600	0.62
160_V	198_E	0.594	0.61
99_N	155_T	0.593	0.61
252_V	255_L	0.589	0.61
58_Q	206_Q	0.588	0.60
157_V	196_V	0.588	0.60
241_E	250_R	0.587	0.60
42_T	147_N	0.586	0.60
52_V	127_L	0.586	0.60
139_N	196_V	0.585	0.60
65_A	68_A	0.585	0.60
22_Q	189_S	0.582	0.60
91_W	101_R	0.581	0.59
207_T	230_T	0.581	0.59
261_M	266_L	0.578	0.59
91_W	156_N	0.578	0.59
24_A	31_D	0.577	0.59
240_F	252_V	0.577	0.59
139_N	157_V	0.577	0.59
79_L	102_A	0.576	0.59
128_S	139_N	0.575	0.59
65_A	194_N	0.573	0.58
268_H	277_D	0.571	0.58
202_V	205_Q	0.568	0.58
139_N	142_A	0.568	0.58
59_L	194_N	0.568	0.58
172_D	176_Y	0.567	0.58
242_G	249_G	0.563	0.57
246_Q	250_R	0.563	0.57
173_D	177_R	0.563	0.57
135_P	170_D	0.561	0.57
21_L	165_F	0.559	0.57
262_E	266_L	0.558	0.56
109_A	112_V	0.557	0.56
125_A	148_A	0.557	0.56
252_V	257_E	0.557	0.56
154_D	157_V	0.556	0.56
65_A	95_S	0.556	0.56
117_D	209_R	0.555	0.56
143_S	149_G	0.552	0.56
175_D	178_P	0.550	0.55
92_S	104_H	0.549	0.55
29_Y	195_A	0.549	0.55
139_N	177_R	0.548	0.55
26_V	144_F	0.546	0.55
171_D	180_A	0.546	0.55
250_R	254_L	0.546	0.55
248_R	255_L	0.545	0.55
168_I	182_E	0.544	0.55
242_G	248_R	0.542	0.54
88_V	106_H	0.542	0.54
44_P	47_I	0.541	0.54
139_N	192_W	0.541	0.54
112_V	118_G	0.540	0.54
84_R	107_E	0.539	0.54
69_F	232_P	0.536	0.53
196_V	203_A	0.536	0.53
76_T	109_A	0.535	0.53
243_S	248_R	0.535	0.53
51_E	55_Q	0.535	0.53
58_Q	158_K	0.534	0.53
40_E	46_E	0.532	0.53
147_N	188_T	0.531	0.53
98_Y	101_R	0.530	0.53
177_R	184_L	0.530	0.53
259_D	262_E	0.529	0.53
50_S	54_S	0.528	0.52
91_W	98_Y	0.524	0.52
264_D	277_D	0.523	0.52
23_T	27_D	0.523	0.52
225_Q	228_D	0.521	0.51
81_A	113_E	0.520	0.51
30_T	195_A	0.520	0.51
249_G	252_V	0.517	0.51
54_S	106_H	0.516	0.51
27_D	209_R	0.516	0.51
47_I	70_L	0.515	0.51
116_Y	119_A	0.513	0.50
68_A	92_S	0.511	0.50
159_R	163_R	0.511	0.50
266_L	270_V	0.510	0.50
129_E	186_D	0.509	0.50
266_L	269_R	0.506	0.49
28_W	34_R	0.506	0.49
98_Y	156_N	0.505	0.49
181_N	184_L	0.504	0.49
111_Q	117_D	0.501	0.49
168_I	228_D	0.500	0.49
107_E	111_Q	0.500	0.49

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
3fspA	1	0.9359	100	0.34	Contact Map
3n5nX	1	0.8109	100	0.38	Contact Map
1kg2A	1	0.6987	100	0.393	Contact Map
1keaA	2	0.6795	100	0.43	Contact Map
1ornA	1	0.6795	100	0.435	Contact Map
4unfA	1	0.7019	100	0.44	Contact Map
4uobA	1	0.7147	100	0.447	Contact Map
2abkA	1	0.6699	100	0.463	Contact Map
1pu6A	1	0.6058	100	0.556	Contact Map
3n0uA	1	0.6314	100	0.612	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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