INT - BACSU - GREMLIN Contacts

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INT - ICEBs1 integrase

UniProt:	P96629	Sequences: MSVKKLENGQYQVDVSFGFDPITGERIRTRPVASTRKEALELEAKLRREFQEERARKSRSVSFPTLISIYLASCEIDSKPNYYQNQKYIINKHISDYFLKSDIQKITHREITDFRKHLMETGLSNKSVNNIMTSLSKIFDTAVHEEILKRNPCDNVKRLPLTRKKMKFWRPEEFKKFISLIPQDQLLFKTFYTVAFLTGLRCGEMLALQWKDIDKILLEIDVHKSCTWLDGQFVVTTPKTKNSIRRVSINKKLLKLLERWKEAQEELFNELGIRHSHDTYIFQYKDTPSRKDIFSRKIKYFCKDSDLTPIRLHDFRHSHVALLIHQGEDYITIKERLGHGSVKTTIDVYGHLYPNKQKEMADKLDDLL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	368 (305)
Sequences:	28164 (22996)
Seq/√Len:	1316.7

ECOLI - INTR INTB INTD INTF INTA INTZ INTS INTQ INTE XERC XERD FIMB FIME
BACSU - INT YOMM YOPP XERC XERD YOEC
HALSA - Q9HR66 Q9HQV5 O52010 Q9HSI7 O54590
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
320_V	337_L	4.973	1.00
107_T	110_E	3.307	1.00
210_W	261_K	3.232	1.00
245_R	338_G	3.061	1.00
311_R	314_D	2.826	1.00
101_S	110_E	2.765	1.00
199_G	319_H	2.758	1.00
195_A	312_L	2.723	1.00
202_C	313_H	2.629	1.00
319_H	336_R	2.547	1.00
218_L	254_L	2.476	1.00
118_L	131_I	2.428	1.00
221_D	246_R	2.232	1.00
195_A	205_M	2.210	1.00
190_T	260_W	2.204	1.00
317_H	351_H	2.032	1.00
42_L	45_K	2.006	1.00
170_R	173_E	1.990	1.00
67_I	90_I	1.987	1.00
97_Y	117_H	1.980	1.00
36_R	40_L	1.958	1.00
115_R	132_M	1.954	1.00
209_Q	280_Y	1.918	1.00
214_D	217_L	1.903	1.00
329_D	332_T	1.901	1.00
254_L	258_E	1.894	1.00
87_K	91_N	1.890	1.00
197_L	250_N	1.882	1.00
209_Q	279_T	1.876	1.00
141_T	145_E	1.867	1.00
324_I	333_I	1.829	1.00
339_H	345_T	1.817	1.00
89_I	134_S	1.793	1.00
204_E	245_R	1.776	1.00
64_P	95_S	1.771	1.00
111_I	153_C	1.768	1.00
210_W	281_I	1.743	1.00
71_L	87_K	1.731	1.00
319_H	323_L	1.715	1.00
248_S	336_R	1.711	1.00
67_I	138_I	1.699	1.00
200_L	205_M	1.692	1.00
225_S	239_K	1.670	1.00
219_E	246_R	1.668	1.00
93_H	131_I	1.653	1.00
209_Q	288_P	1.650	1.00
126_K	130_N	1.650	1.00
102_D	105_K	1.628	1.00
66_L	142_A	1.604	1.00
243_S	340_G	1.600	1.00
106_I	139_F	1.599	1.00
325_H	356_K	1.590	1.00
343_K	347_D	1.587	1.00
33_A	42_L	1.587	1.00
331_I	334_K	1.557	1.00
82_Y	86_Q	1.555	1.00
35_T	38_E	1.531	1.00
324_I	350_G	1.528	1.00
344_T	348_V	1.519	1.00
46_L	49_E	1.518	1.00
323_L	328_E	1.509	1.00
249_I	254_L	1.495	1.00
190_T	259_R	1.490	1.00
202_C	206_L	1.487	1.00
68_S	95_S	1.459	1.00
191_F	294_F	1.457	1.00
42_L	46_L	1.449	1.00
189_K	193_T	1.447	1.00
140_D	154_D	1.436	1.00
215_K	258_E	1.434	1.00
337_L	345_T	1.429	1.00
171_P	322_L	1.429	1.00
212_D	223_H	1.413	1.00
138_I	142_A	1.408	1.00
188_F	297_K	1.408	1.00
45_K	49_E	1.404	1.00
89_I	130_N	1.403	1.00
64_P	68_S	1.398	1.00
191_F	205_M	1.397	1.00
174_F	196_F	1.390	1.00
240_T	243_S	1.377	1.00
323_L	333_I	1.373	1.00
218_L	251_K	1.350	1.00
209_Q	212_D	1.349	1.00
200_L	222_V	1.329	1.00
173_E	176_K	1.324	1.00
169_W	318_S	1.303	1.00
334_K	342_V	1.292	1.00
66_L	141_T	1.289	1.00
143_V	148_L	1.285	1.00
341_S	347_D	1.285	1.00
71_L	83_Y	1.277	1.00
119_M	128_V	1.276	1.00
66_L	103_I	1.269	1.00
132_M	136_S	1.266	1.00
48_R	52_E	1.266	1.00
146_E	150_R	1.265	1.00
69_I	73_S	1.261	1.00
80_P	84_Q	1.260	1.00
190_T	256_L	1.243	1.00
93_H	121_T	1.239	1.00
174_F	322_L	1.239	1.00
334_K	345_T	1.233	1.00
196_F	315_F	1.229	1.00
182_P	189_K	1.226	1.00
202_C	291_K	1.220	1.00
211_K	279_T	1.215	1.00
331_I	335_E	1.214	1.00
320_V	333_I	1.213	1.00
197_L	253_L	1.203	1.00
295_S	299_K	1.187	1.00
181_I	301_F	1.172	1.00
169_W	310_I	1.170	1.00
62_S	65_T	1.166	1.00
114_F	118_L	1.163	1.00
321_A	351_H	1.159	1.00
114_F	131_I	1.155	1.00
115_R	119_M	1.154	1.00
193_T	256_L	1.145	1.00
223_H	244_I	1.138	1.00
81_N	84_Q	1.137	1.00
176_K	180_L	1.136	1.00
208_L	220_I	1.136	1.00
178_I	193_T	1.126	1.00
112_T	145_E	1.122	1.00
43_E	47_R	1.120	1.00
83_Y	87_K	1.117	1.00
251_K	255_K	1.117	1.00
175_K	179_S	1.116	1.00
85_N	88_Y	1.112	1.00
214_D	219_E	1.111	1.00
64_P	100_K	1.106	1.00
321_A	350_G	1.106	1.00
203_G	207_A	1.105	1.00
359_E	363_K	1.104	1.00
86_Q	134_S	1.104	1.00
332_T	360_M	1.102	1.00
112_T	116_K	1.096	1.00
325_H	353_Y	1.080	1.00
93_H	96_D	1.076	1.00
84_Q	88_Y	1.073	1.00
341_S	344_T	1.073	1.00
75_E	83_Y	1.071	1.00
194_V	253_L	1.063	1.00
129_N	159_L	1.063	1.00
108_H	144_H	1.062	1.00
318_S	322_L	1.062	1.00
139_F	152_P	1.058	1.00
140_D	151_N	1.057	1.00
169_W	177_F	1.057	1.00
250_N	253_L	1.057	1.00
249_I	253_L	1.055	1.00
280_Y	288_P	1.042	1.00
291_K	295_S	1.041	1.00
260_W	264_Q	1.039	1.00
196_F	322_L	1.037	1.00
127_S	131_I	1.036	1.00
70_Y	137_K	1.035	1.00
45_K	48_R	1.032	1.00
298_I	302_C	1.021	1.00
37_K	41_E	1.020	1.00
299_K	309_P	1.019	1.00
79_K	82_Y	1.017	1.00
90_I	95_S	1.007	1.00
168_F	318_S	1.006	1.00
180_L	304_D	1.004	1.00
40_L	44_A	1.002	1.00
180_L	305_S	0.998	1.00
139_F	148_L	0.997	1.00
74_C	78_S	0.994	1.00
208_L	213_I	0.992	1.00
356_K	359_E	0.984	1.00
124_S	127_S	0.982	1.00
97_Y	114_F	0.980	1.00
211_K	278_D	0.979	1.00
91_N	95_S	0.975	1.00
191_F	282_F	0.975	1.00
130_N	133_T	0.973	1.00
44_A	51_Q	0.970	1.00
136_S	140_D	0.965	1.00
206_L	291_K	0.964	1.00
118_L	123_L	0.963	1.00
220_I	224_K	0.963	1.00
78_S	86_Q	0.963	1.00
44_A	47_R	0.961	1.00
197_L	252_K	0.960	1.00
119_M	125_N	0.956	1.00
144_H	155_N	0.956	1.00
202_C	295_S	0.953	1.00
41_E	45_K	0.950	1.00
171_P	175_K	0.947	1.00
101_S	105_K	0.947	1.00
335_E	357_Q	0.944	1.00
78_S	83_Y	0.943	1.00
297_K	300_Y	0.939	1.00
215_K	254_L	0.938	1.00
290_R	293_I	0.936	1.00
322_L	325_H	0.931	1.00
97_Y	113_D	0.931	1.00
193_T	252_K	0.930	1.00
293_I	296_R	0.926	1.00
328_E	360_M	0.925	1.00
358_K	362_D	0.921	1.00
320_V	350_G	0.918	1.00
60_S	104_Q	0.915	1.00
151_N	154_D	0.912	1.00
169_W	173_E	0.912	1.00
320_V	345_T	0.912	1.00
68_S	72_A	0.910	1.00
299_K	303_K	0.908	1.00
210_W	264_Q	0.906	1.00
355_N	359_E	0.905	1.00
194_V	205_M	0.905	1.00
98_F	114_F	0.900	1.00
221_D	244_I	0.900	1.00
139_F	153_C	0.897	1.00
252_K	255_K	0.896	1.00
328_E	332_T	0.895	1.00
118_L	128_V	0.892	1.00
60_S	102_D	0.883	1.00
320_V	324_I	0.883	1.00
38_E	42_L	0.875	1.00
319_H	337_L	0.873	1.00
328_E	363_K	0.873	1.00
171_P	325_H	0.871	1.00
214_D	221_D	0.869	1.00
194_V	282_F	0.866	1.00
194_V	220_I	0.865	1.00
108_H	112_T	0.863	1.00
47_R	51_Q	0.861	1.00
196_F	318_S	0.860	1.00
49_E	54_R	0.859	1.00
284_Y	287_T	0.859	1.00
280_Y	283_Q	0.859	1.00
123_L	127_S	0.857	1.00
336_R	357_Q	0.855	1.00
68_S	87_K	0.855	1.00
109_R	145_E	0.851	1.00
85_N	89_I	0.843	1.00
69_I	147_I	0.843	1.00
123_L	131_I	0.839	1.00
302_C	310_I	0.835	1.00
202_C	312_L	0.834	1.00
126_K	129_N	0.830	1.00
144_H	157_K	0.829	1.00
89_I	131_I	0.823	1.00
171_P	326_Q	0.817	1.00
64_P	99_L	0.815	1.00
81_N	85_N	0.809	1.00
143_V	151_N	0.806	1.00
317_H	348_V	0.801	1.00
189_K	256_L	0.801	1.00
67_I	95_S	0.800	1.00
113_D	117_H	0.799	1.00
40_L	43_E	0.797	1.00
132_M	153_C	0.796	1.00
48_R	51_Q	0.795	1.00
66_L	145_E	0.793	1.00
80_P	83_Y	0.793	1.00
143_V	150_R	0.789	1.00
94_I	135_L	0.787	1.00
41_E	44_A	0.786	1.00
61_V	65_T	0.786	1.00
63_F	138_I	0.785	1.00
66_L	138_I	0.784	1.00
67_I	71_L	0.777	1.00
63_F	67_I	0.774	1.00
181_I	192_Y	0.771	1.00
253_L	256_L	0.771	1.00
293_I	297_K	0.770	1.00
208_L	281_I	0.766	1.00
353_Y	356_K	0.765	1.00
108_H	146_E	0.765	1.00
198_T	247_V	0.764	1.00
123_L	128_V	0.763	1.00
109_R	113_D	0.763	1.00
360_M	363_K	0.761	1.00
110_E	113_D	0.761	1.00
177_F	192_Y	0.757	1.00
33_A	39_A	0.756	1.00
251_K	362_D	0.755	1.00
192_Y	315_F	0.751	1.00
142_A	147_I	0.751	1.00
261_K	264_Q	0.749	1.00
310_I	314_D	0.748	1.00
53_E	56_R	0.748	1.00
210_W	257_L	0.746	1.00
300_Y	304_D	0.739	1.00
143_V	155_N	0.737	1.00
70_Y	141_T	0.736	1.00
201_R	313_H	0.729	1.00
85_N	130_N	0.728	1.00
292_D	295_S	0.723	1.00
129_N	133_T	0.721	1.00
37_K	40_L	0.720	1.00
146_E	155_N	0.715	1.00
38_E	41_E	0.712	1.00
44_A	48_R	0.710	1.00
212_D	224_K	0.710	1.00
167_K	314_D	0.710	1.00
106_I	111_I	0.709	1.00
93_H	123_L	0.708	1.00
111_I	135_L	0.707	1.00
61_V	69_I	0.704	1.00
34_S	38_E	0.702	1.00
143_V	154_D	0.701	1.00
332_T	336_R	0.700	1.00
334_K	347_D	0.697	1.00
49_E	52_E	0.695	1.00
206_L	294_F	0.695	1.00
94_I	98_F	0.693	1.00
258_E	261_K	0.692	1.00
117_H	121_T	0.692	1.00
359_E	362_D	0.691	1.00
299_K	302_C	0.690	1.00
94_I	139_F	0.689	1.00
324_I	353_Y	0.689	1.00
166_M	311_R	0.687	1.00
136_S	153_C	0.685	1.00
261_K	265_E	0.684	1.00
41_E	51_Q	0.681	1.00
136_S	154_D	0.680	1.00
296_R	300_Y	0.676	1.00
295_S	312_L	0.676	1.00
181_I	189_K	0.672	1.00
116_K	119_M	0.671	1.00
330_Y	347_D	0.670	1.00
112_T	115_R	0.665	1.00
325_H	355_N	0.665	1.00
199_G	337_L	0.665	1.00
90_I	138_I	0.663	1.00
69_I	141_T	0.661	1.00
259_R	263_A	0.661	1.00
298_I	315_F	0.660	1.00
180_L	301_F	0.660	1.00
41_E	48_R	0.658	1.00
148_L	152_P	0.655	1.00
190_T	282_F	0.654	1.00
182_P	193_T	0.653	1.00
168_F	351_H	0.653	1.00
74_C	77_D	0.651	1.00
139_F	151_N	0.651	1.00
258_E	262_E	0.648	1.00
135_L	153_C	0.648	1.00
324_I	331_I	0.647	1.00
118_L	121_T	0.647	1.00
186_L	189_K	0.645	1.00
115_R	128_V	0.645	1.00
103_I	142_A	0.645	1.00
330_Y	342_V	0.644	1.00
173_E	308_T	0.644	1.00
139_F	143_V	0.643	1.00
132_M	156_V	0.643	1.00
45_K	52_E	0.643	1.00
324_I	330_Y	0.633	1.00
140_D	143_V	0.632	1.00
329_D	360_M	0.629	1.00
186_L	259_R	0.628	1.00
142_A	148_L	0.623	1.00
39_A	43_E	0.621	1.00
65_T	69_I	0.621	1.00
297_K	301_F	0.621	1.00
103_I	139_F	0.618	1.00
61_V	147_I	0.617	1.00
292_D	296_R	0.616	1.00
320_V	339_H	0.615	1.00
240_T	338_G	0.614	1.00
94_I	114_F	0.613	1.00
88_Y	91_N	0.609	1.00
186_L	190_T	0.606	1.00
355_N	358_K	0.605	1.00
248_S	357_Q	0.603	1.00
172_E	176_K	0.603	1.00
215_K	218_L	0.602	1.00
248_S	358_K	0.601	1.00
354_P	357_Q	0.601	1.00
255_K	258_E	0.600	1.00
172_E	175_K	0.599	1.00
202_C	294_F	0.598	1.00
201_R	224_K	0.593	1.00
98_F	110_E	0.593	1.00
93_H	114_F	0.592	1.00
187_L	190_T	0.592	1.00
294_F	312_L	0.590	1.00
219_E	358_K	0.589	1.00
331_I	347_D	0.587	1.00
98_F	106_I	0.585	1.00
174_F	318_S	0.583	1.00
210_W	265_E	0.580	1.00
114_F	135_L	0.579	1.00
314_D	317_H	0.577	1.00
215_K	249_I	0.577	1.00
114_F	117_H	0.576	1.00
195_A	202_C	0.576	1.00
176_K	179_S	0.575	1.00
200_L	220_I	0.574	1.00
329_D	356_K	0.573	1.00
107_T	149_K	0.573	1.00
205_M	312_L	0.573	1.00
111_I	156_V	0.571	1.00
69_I	145_E	0.567	1.00
200_L	208_L	0.566	1.00
194_V	200_L	0.565	1.00
138_I	141_T	0.564	1.00
62_S	102_D	0.561	1.00
177_F	298_I	0.557	1.00
213_I	220_I	0.556	1.00
214_D	218_L	0.556	1.00
187_L	260_W	0.556	1.00
174_F	178_I	0.554	1.00
78_S	82_Y	0.554	1.00
213_I	257_L	0.554	1.00
137_K	141_T	0.554	1.00
180_L	183_Q	0.553	1.00
125_N	129_N	0.551	1.00
168_F	321_A	0.551	1.00
117_H	120_E	0.550	1.00
198_T	250_N	0.549	1.00
215_K	220_I	0.549	1.00
108_H	155_N	0.547	1.00
63_F	135_L	0.540	1.00
69_I	72_A	0.539	1.00
107_T	146_E	0.537	1.00
301_F	304_D	0.534	1.00
255_K	259_R	0.533	1.00
301_F	305_S	0.533	1.00
90_I	134_S	0.531	1.00
321_A	352_L	0.530	1.00
200_L	204_E	0.530	1.00
72_A	75_E	0.529	1.00
336_R	361_A	0.528	1.00
73_S	116_K	0.525	1.00
204_E	222_V	0.523	1.00
66_L	147_I	0.523	1.00
188_F	301_F	0.522	1.00
334_K	344_T	0.519	1.00
169_W	314_D	0.518	1.00
74_C	137_K	0.518	1.00
328_E	333_I	0.518	1.00
90_I	94_I	0.517	1.00
36_R	39_A	0.516	1.00
47_R	50_F	0.515	1.00
195_A	315_F	0.514	1.00
330_Y	334_K	0.513	1.00
74_C	86_Q	0.513	1.00
295_S	298_I	0.512	1.00
324_I	352_L	0.512	1.00
50_F	55_A	0.512	1.00
342_V	347_D	0.511	1.00
320_V	334_K	0.511	1.00
260_W	263_A	0.510	1.00
171_P	318_S	0.510	1.00
256_L	259_R	0.508	1.00
194_V	257_L	0.508	1.00
109_R	146_E	0.507	1.00
93_H	118_L	0.503	1.00
215_K	281_I	0.502	1.00
298_I	312_L	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
1z1bA	3	0.8859	100	0.252	Contact Map
1a0pA	1	0.7092	100	0.308	Contact Map
2a3vA	3	0.7745	100	0.314	Contact Map
1z19A	3	0.7527	100	0.323	Contact Map
4a8eA	2	0.7092	100	0.345	Contact Map
1xo0A	3	0.7745	100	0.368	Contact Map
3nkhA	2	0.5571	100	0.465	Contact Map
1ae9A	4	0.4538	100	0.561	Contact Map
1aihA	2	0.4429	99.9	0.582	Contact Map
4e0gA	2	0.712	99.9	0.616	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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