Q9HR66 - HALSA - GREMLIN Contacts

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Q9HR66 - Integrase/recombinase

UniProt:	Q9HR66	Sequences: MSEPRDSLARETDADARDDPIGYFLEDMQYHGKAKRTRDAYARVLRSFEAFLSNAGAQPVDAGRRDCLTWVHHLREQYAESTVATYASYVNRFYSYMQQVGVVDGNPMALVSQEMDEAIDTNPTRRDISVAAMREFIADITHPLERAVIVGLLKTGLRVGELCNLDLRDVNLDAPAVSSAYEVGVRGQLGSHPDTLYVDPAMSRGETVNGEQRSASNKRKRATLVPLDRELKTELVRWLAIRPDTTSPADPVFVSTQDAWGKRLTPEMVRGMVRRHAEPRGWYHKGGDAAENVTPHYFRHFFTTHLRNRTGDRGVVKYLRGDVADDIIDTYTHNWGDRVREVYLNHIYSLTTTHGGG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	357 (281)
Sequences:	31925 (25518)
Seq/√Len:	1522.3

ECOLI - INTQ INTR XERC INTF XERD INTB INTZ INTA INTD INTS INTE FIME FIMB
BACSU - INT XERC XERD YOPP YOMM YOEC
HALSA - Q9HR66 Q9HQV5 Q9HSI7 O54590 O52010
SULSO - Q980D9

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
303_T	320_R	5.083	1.00
63_G	66_D	3.317	1.00
167_L	239_L	3.303	1.00
223_T	321_G	3.212	1.00
294_T	297_Y	2.817	1.00
156_G	302_F	2.749	1.00
159_V	296_H	2.698	1.00
57_A	66_D	2.646	1.00
302_F	319_L	2.636	1.00
152_L	295_P	2.601	1.00
166_D	263_R	2.427	1.00
74_L	86_Y	2.418	1.00
175_P	232_K	2.334	1.00
152_L	162_L	2.248	1.00
147_A	238_W	2.177	1.00
166_D	251_P	2.171	1.00
300_H	333_H	2.147	1.00
44_V	85_T	2.016	1.00
129_S	132_A	2.010	1.00
322_D	328_I	2.001	1.00
178_S	224_L	1.986	1.00
166_D	250_D	1.961	1.00
71_V	87_A	1.919	1.00
312_D	315_V	1.907	1.00
42_A	46_R	1.880	1.00
154_K	228_D	1.875	1.00
307_R	316_V	1.864	1.00
232_K	236_V	1.839	1.00
25_L	42_A	1.827	1.00
21_I	45_L	1.802	1.00
44_V	89_Y	1.800	1.00
314_G	317_K	1.776	1.00
171_N	174_A	1.776	1.00
96_Y	100_V	1.745	1.00
302_F	306_L	1.729	1.00
157_L	162_L	1.700	1.00
161_E	223_T	1.696	1.00
67_C	108_M	1.688	1.00
226_P	319_L	1.681	1.00
47_S	86_Y	1.680	1.00
221_R	323_V	1.652	1.00
37_T	41_Y	1.627	1.00
308_N	338_R	1.604	1.00
176_A	224_L	1.601	1.00
145_E	272_M	1.595	1.00
148_V	269_V	1.594	1.00
21_I	93_F	1.591	1.00
62_A	94_Y	1.586	1.00
167_L	252_V	1.585	1.00
227_L	232_K	1.567	1.00
218_K	221_R	1.540	1.00
307_R	332_T	1.520	1.00
320_R	328_I	1.516	1.00
58_Q	61_D	1.503	1.00
20_P	97_M	1.485	1.00
159_V	163_C	1.483	1.00
130_V	305_H	1.476	1.00
326_D	329_D	1.461	1.00
306_L	311_G	1.439	1.00
166_D	169_D	1.431	1.00
154_K	231_L	1.421	1.00
81_S	85_T	1.417	1.00
93_F	97_M	1.411	1.00
153_L	305_H	1.410	1.00
18_D	22_G	1.400	1.00
128_I	301_F	1.384	1.00
304_T	333_H	1.383	1.00
216_S	222_A	1.381	1.00
146_R	150_V	1.375	1.00
327_I	330_T	1.373	1.00
140_I	276_H	1.372	1.00
317_K	325_D	1.367	1.00
172_L	236_V	1.357	1.00
35_K	39_D	1.353	1.00
306_L	316_V	1.353	1.00
147_A	237_R	1.346	1.00
148_V	162_L	1.346	1.00
132_A	135_E	1.339	1.00
36_R	39_D	1.339	1.00
133_M	153_L	1.334	1.00
251_P	263_R	1.321	1.00
20_P	96_Y	1.320	1.00
314_G	318_Y	1.302	1.00
168_R	250_D	1.291	1.00
159_V	266_P	1.288	1.00
160_G	164_N	1.260	1.00
169_D	180_A	1.256	1.00
171_N	176_A	1.249	1.00
141_T	146_R	1.245	1.00
70_W	86_Y	1.245	1.00
95_S	109_A	1.243	1.00
25_L	38_R	1.241	1.00
317_K	328_I	1.235	1.00
217_N	221_R	1.230	1.00
150_V	234_E	1.230	1.00
39_D	43_R	1.230	1.00
341_E	345_N	1.216	1.00
147_A	234_E	1.214	1.00
70_W	74_L	1.211	1.00
153_L	298_F	1.209	1.00
303_T	316_V	1.182	1.00
324_A	329_D	1.178	1.00
137_I	150_V	1.178	1.00
24_F	92_R	1.176	1.00
48_F	51_F	1.172	1.00
84_A	114_E	1.167	1.00
98_Q	103_V	1.161	1.00
87_A	91_N	1.159	1.00
134_R	138_A	1.156	1.00
216_S	220_K	1.156	1.00
133_M	305_H	1.146	1.00
308_N	335_W	1.144	1.00
175_P	229_R	1.140	1.00
266_P	270_R	1.140	1.00
228_D	231_L	1.137	1.00
130_V	309_R	1.123	1.00
23_Y	27_D	1.120	1.00
101_G	105_G	1.115	1.00
268_M	271_G	1.115	1.00
20_P	59_P	1.115	1.00
128_I	293_V	1.113	1.00
82_T	86_Y	1.110	1.00
128_I	136_F	1.109	1.00
159_V	270_R	1.108	1.00
94_Y	103_V	1.107	1.00
277_A	293_V	1.107	1.00
272_M	275_R	1.095	1.00
324_A	327_I	1.094	1.00
51_F	73_H	1.091	1.00
79_A	82_T	1.087	1.00
274_R	292_N	1.079	1.00
340_R	344_L	1.079	1.00
301_F	305_H	1.078	1.00
68_L	72_H	1.064	1.00
302_F	320_R	1.064	1.00
38_R	42_A	1.064	1.00
338_R	341_E	1.063	1.00
18_D	50_A	1.055	1.00
148_V	253_F	1.049	1.00
30_Y	38_R	1.044	1.00
315_V	342_V	1.043	1.00
267_E	270_R	1.041	1.00
270_R	274_R	1.040	1.00
68_L	100_V	1.039	1.00
168_R	249_A	1.036	1.00
41_Y	89_Y	1.032	1.00
99_Q	112_S	1.029	1.00
40_A	43_R	1.024	1.00
34_A	37_T	1.022	1.00
229_R	233_T	1.020	1.00
139_D	279_P	1.015	1.00
51_F	69_T	1.013	1.00
139_D	280_R	1.013	1.00
273_V	277_A	1.007	1.00
94_Y	107_P	1.006	1.00
51_F	70_W	1.006	1.00
167_L	242_R	1.002	1.00
135_E	139_D	0.995	1.00
265_T	268_M	0.987	1.00
304_T	332_T	0.984	1.00
64_R	99_Q	0.983	1.00
163_C	266_P	0.981	1.00
303_T	332_T	0.978	1.00
64_R	68_L	0.970	1.00
16_A	19_D	0.967	1.00
95_S	106_N	0.965	1.00
154_K	230_E	0.960	1.00
43_R	47_S	0.958	1.00
150_V	230_E	0.947	1.00
151_G	231_L	0.946	1.00
132_A	291_E	0.941	1.00
151_G	253_F	0.941	1.00
255_S	262_K	0.940	1.00
40_A	44_V	0.938	1.00
74_L	83_V	0.937	1.00
143_P	237_R	0.937	1.00
33_K	38_R	0.934	1.00
36_R	40_A	0.930	1.00
146_R	234_E	0.930	1.00
344_L	347_I	0.928	1.00
238_W	242_R	0.927	1.00
128_I	132_A	0.926	1.00
127_D	301_F	0.925	1.00
97_M	102_V	0.923	1.00
130_V	308_N	0.922	1.00
44_V	86_Y	0.920	1.00
78_Y	86_Y	0.913	1.00
147_A	253_F	0.910	1.00
270_R	295_P	0.906	1.00
303_T	307_R	0.905	1.00
158_R	296_H	0.903	1.00
57_A	61_D	0.903	1.00
78_Y	82_T	0.899	1.00
153_L	301_F	0.897	1.00
230_E	233_T	0.889	1.00
18_D	56_G	0.884	1.00
274_R	278_E	0.877	1.00
98_Q	106_N	0.873	1.00
127_D	333_H	0.869	1.00
300_H	330_T	0.869	1.00
78_Y	83_V	0.865	1.00
33_K	41_Y	0.864	1.00
22_G	42_A	0.859	1.00
165_L	177_V	0.859	1.00
91_N	95_S	0.858	1.00
165_L	170_V	0.858	1.00
48_F	94_Y	0.855	1.00
74_L	78_Y	0.853	1.00
48_F	53_S	0.852	1.00
157_L	179_S	0.851	1.00
172_L	232_K	0.843	1.00
85_T	88_S	0.843	1.00
305_H	308_N	0.841	1.00
319_L	339_V	0.840	1.00
318_Y	339_V	0.840	1.00
46_R	50_A	0.839	1.00
99_Q	110_L	0.838	1.00
94_Y	108_M	0.837	1.00
227_L	231_L	0.834	1.00
251_P	254_V	0.834	1.00
140_I	149_I	0.834	1.00
275_R	279_P	0.832	1.00
130_V	134_R	0.831	1.00
126_R	297_Y	0.824	1.00
22_G	26_E	0.824	1.00
151_G	162_L	0.822	1.00
237_R	241_I	0.821	1.00
311_G	315_V	0.820	1.00
52_L	73_H	0.819	1.00
23_Y	102_V	0.817	1.00
40_A	85_T	0.816	1.00
87_A	108_M	0.813	1.00
231_L	234_E	0.811	1.00
317_K	329_D	0.807	1.00
18_D	54_N	0.798	1.00
276_H	279_P	0.796	1.00
156_G	320_R	0.795	1.00
165_L	252_V	0.788	1.00
163_C	269_V	0.787	1.00
342_V	345_N	0.787	1.00
311_G	342_V	0.784	1.00
45_L	50_A	0.781	1.00
303_T	328_I	0.778	1.00
159_V	295_P	0.777	1.00
155_T	225_V	0.773	1.00
62_A	67_C	0.769	1.00
337_D	341_E	0.766	1.00
313_R	329_D	0.763	1.00
106_N	109_A	0.761	1.00
324_A	328_I	0.759	1.00
28_M	31_H	0.755	1.00
267_E	274_R	0.752	1.00
69_T	73_H	0.751	1.00
136_F	149_I	0.750	1.00
64_R	101_G	0.750	1.00
143_P	146_R	0.746	1.00
236_V	240_A	0.741	1.00
151_G	177_V	0.740	1.00
236_V	239_L	0.733	1.00
101_G	110_L	0.731	1.00
268_M	272_M	0.731	1.00
22_G	50_A	0.728	1.00
65_R	100_V	0.727	1.00
143_P	241_I	0.727	1.00
20_P	93_F	0.724	1.00
67_C	90_V	0.723	1.00
84_A	88_S	0.722	1.00
35_K	38_R	0.721	1.00
229_R	344_L	0.721	1.00
341_E	344_L	0.720	1.00
308_N	337_D	0.717	1.00
15_D	23_Y	0.716	1.00
66_D	69_T	0.714	1.00
97_M	103_V	0.711	1.00
239_L	242_R	0.710	1.00
20_P	100_V	0.709	1.00
274_R	277_A	0.709	1.00
178_S	222_A	0.709	1.00
325_D	328_I	0.706	1.00
171_N	178_S	0.705	1.00
23_Y	96_Y	0.695	1.00
141_T	150_V	0.691	1.00
151_G	157_L	0.686	1.00
43_R	46_R	0.686	1.00
239_L	243_P	0.685	1.00
272_M	276_H	0.685	1.00
315_V	319_L	0.684	1.00
152_L	159_V	0.684	1.00
17_R	93_F	0.683	1.00
98_Q	105_G	0.682	1.00
139_D	276_H	0.682	1.00
343_Y	346_H	0.681	1.00
71_V	83_V	0.679	1.00
271_G	275_R	0.674	1.00
21_I	25_L	0.674	1.00
49_E	53_S	0.672	1.00
140_I	146_R	0.672	1.00
81_S	84_A	0.672	1.00
235_L	252_V	0.672	1.00
336_G	339_V	0.666	1.00
143_P	147_A	0.665	1.00
17_R	21_I	0.663	1.00
65_R	69_T	0.659	1.00
273_V	298_F	0.659	1.00
293_V	297_Y	0.659	1.00
159_V	269_V	0.659	1.00
23_Y	26_E	0.658	1.00
98_Q	109_A	0.658	1.00
127_D	304_T	0.657	1.00
335_W	338_R	0.653	1.00
53_S	70_W	0.652	1.00
135_E	138_A	0.652	1.00
257_Q	262_K	0.648	1.00
47_S	70_W	0.647	1.00
172_L	177_V	0.643	1.00
15_D	19_D	0.643	1.00
48_F	90_V	0.641	1.00
337_D	340_R	0.639	1.00
51_F	54_N	0.636	1.00
136_F	273_V	0.636	1.00
150_V	231_L	0.632	1.00
73_H	77_Q	0.632	1.00
217_N	220_K	0.631	1.00
273_V	295_P	0.631	1.00
94_Y	98_Q	0.630	1.00
149_I	298_F	0.630	1.00
48_F	70_W	0.630	1.00
91_N	108_M	0.630	1.00
70_W	73_H	0.625	1.00
226_P	340_R	0.625	1.00
90_V	108_M	0.624	1.00
131_A	134_R	0.623	1.00
45_L	93_F	0.623	1.00
307_R	335_W	0.621	1.00
171_N	177_V	0.620	1.00
230_E	347_I	0.620	1.00
233_T	237_R	0.613	1.00
75_R	83_V	0.612	1.00
59_P	97_M	0.611	1.00
95_S	98_Q	0.611	1.00
125_R	294_T	0.609	1.00
311_G	345_N	0.606	1.00
144_L	238_W	0.606	1.00
23_Y	100_V	0.605	1.00
145_E	276_H	0.604	1.00
233_T	236_V	0.603	1.00
131_A	135_E	0.603	1.00
19_D	23_Y	0.602	1.00
147_A	151_G	0.601	1.00
147_A	231_L	0.599	1.00
216_S	221_R	0.598	1.00
303_T	322_D	0.598	1.00
45_L	89_Y	0.598	1.00
307_R	314_G	0.598	1.00
234_E	237_R	0.597	1.00
70_W	90_V	0.597	1.00
307_R	312_D	0.596	1.00
325_D	329_D	0.596	1.00
167_L	235_L	0.595	1.00
98_Q	110_L	0.593	1.00
317_K	327_I	0.592	1.00
157_L	161_E	0.592	1.00
311_G	316_V	0.591	1.00
313_R	325_D	0.591	1.00
93_F	96_Y	0.591	1.00
142_H	146_R	0.591	1.00
133_M	301_F	0.590	1.00
87_A	111_V	0.584	1.00
170_V	235_L	0.581	1.00
155_T	228_D	0.578	1.00
24_F	96_Y	0.577	1.00
307_R	313_R	0.576	1.00
74_L	77_Q	0.574	1.00
269_V	295_P	0.574	1.00
314_G	329_D	0.573	1.00
147_A	235_L	0.572	1.00
216_S	219_R	0.569	1.00
164_N	263_R	0.567	1.00
137_I	146_R	0.560	1.00
297_Y	300_H	0.560	1.00
128_I	297_Y	0.558	1.00
167_L	243_P	0.553	1.00
59_P	94_Y	0.553	1.00
91_N	113_Q	0.553	1.00
91_N	109_A	0.551	1.00
50_A	53_S	0.551	1.00
242_R	254_V	0.548	1.00
133_M	137_I	0.546	1.00
24_F	28_M	0.546	1.00
144_L	147_A	0.544	1.00
157_L	165_L	0.539	1.00
136_F	277_A	0.538	1.00
92_R	95_S	0.537	1.00
20_P	102_V	0.533	1.00
169_D	216_S	0.531	1.00
152_L	298_F	0.531	1.00
166_D	249_A	0.529	1.00
68_L	71_V	0.529	1.00
48_F	52_L	0.528	1.00
19_D	22_G	0.525	1.00
237_R	240_A	0.522	1.00
180_A	222_A	0.521	1.00
170_V	252_V	0.517	1.00
15_D	102_V	0.517	1.00
98_Q	104_D	0.517	1.00
28_M	33_K	0.516	1.00
161_E	217_N	0.513	1.00
64_R	100_V	0.513	1.00
96_Y	102_V	0.512	1.00
150_V	154_K	0.511	1.00
94_Y	106_N	0.511	1.00
339_V	343_Y	0.511	1.00
230_E	234_E	0.510	1.00
172_L	175_P	0.510	1.00
238_W	241_I	0.507	1.00
130_V	301_F	0.507	1.00
312_D	342_V	0.505	1.00
276_H	280_R	0.503	1.00
64_R	110_L	0.503	1.00
125_R	300_H	0.503	1.00
103_V	107_P	0.500	1.00
303_T	317_K	0.500	1.00

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
1a0pA	1	0.7339	100	0.253	Contact Map
1z1bA	3	0.8179	100	0.257	Contact Map
1z19A	3	0.7815	100	0.268	Contact Map
2a3vA	3	0.7899	100	0.279	Contact Map
1xo0A	3	0.8291	100	0.297	Contact Map
4a8eA	2	0.7423	100	0.303	Contact Map
3nkhA	2	0.5686	100	0.44	Contact Map
1ae9A	4	0.4678	100	0.521	Contact Map
1aihA	2	0.4678	99.9	0.55	Contact Map
4e0gA	2	0.7479	99.9	0.592	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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