HCAD - ECOLI - GREMLIN Contacts

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HCAD - 3-phenylpropionate/cinnamic acid dioxygenase ferredoxin--NAD(+) reductase component

UniProt:	P77650	Sequences: MKEKTIIIVGGGQAAAMAAASLRQQGFTGELHLFSDERHLPYERPPLSKSMLLEDSPQLQQVLPANWWQENNVHLHSGVTIKTLGRDTRELVLTNGESWHWDQLFIATGAAARPLPLLDALGERCFTLRHAGDAARLREVLQPERSVVIIGAGTIGLELAASATQRRCKVTVIELAATVMGRNAPPPVQRYLLQRHQQAGVRILLNNAIEHVVDGEKVELTLQSGETLQADVVIYGIGISANEQLAREANLDTANGIVIDEACRTCDPAIFAGGDVAITRLDNGALHRCESWENANNQAQIAAAAMLGLPLPLLPPPWFWSDQYSDNLQFIGDMRGDDWLCRGNPETQKAIWFNLQNGVLIGAVTLNQGREIRPIRKWIQSGKTFDAKLLIDENIALKSL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13460
Length:	400 (354)
Sequences:	30073 (20935)
Seq/√Len:	1112.7

ECOLI - HCAD RCLA STHA NIRB DLDH NORW GSHR DHNA PRET TRXB GLTD AHPF
BACSU - NASB NASD DLDH3 DLDH2 DLDH1 YJLD YUMB YUTJ YPDA DHNA FENR1 FENR2 TRXB GLTB CZCO
HALSA - Q9HP48 DLDH Q9HSN0 Q9HR27 P82854
SULSO - Q97YT2 Q97WE3 Q97VD9 Q97XZ3 Q97Z19 Q97Y24 Q97VQ4 Q97WG1 Q97VJ3 Q97Z14 Q97U72 Q97ZB4 Q97W27 FENR Q97V69 Q97UP4 Q97UV0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
148_V	230_A	4.332	1.00
36_D	80_T	3.954	1.00
260_D	264_R	3.636	1.00
171_T	204_L	3.421	1.00
146_S	169_K	3.283	1.00
89_R	269_A	3.095	1.00
169_K	202_R	3.039	1.00
193_L	197_Q	2.994	1.00
90_E	98_S	2.781	1.00
211_H	221_T	2.755	1.00
213_V	221_T	2.652	1.00
18_A	105_F	2.583	1.00
252_D	258_V	2.537	1.00
5_T	32_H	2.471	1.00
113_R	240_S	2.461	1.00
5_T	102_D	2.427	1.00
85_G	88_T	2.399	1.00
4_K	32_H	2.348	1.00
118_L	211_H	2.338	1.00
101_W	104_L	2.325	1.00
208_A	223_Q	2.289	1.00
111_A	242_N	2.256	1.00
103_Q	269_A	2.252	1.00
175_L	208_A	2.246	1.00
148_V	173_I	2.234	1.00
34_F	99_W	2.200	1.00
111_A	244_Q	2.199	1.00
14_A	273_G	2.172	1.00
148_V	220_L	2.141	1.00
6_I	22_L	2.123	1.00
7_I	99_W	2.113	1.00
221_T	227_T	2.091	1.00
146_S	231_D	2.007	1.00
219_E	227_T	2.003	1.00
32_H	76_H	1.992	1.00
86_R	267_D	1.987	1.00
7_I	34_F	1.977	1.00
105_F	306_M	1.952	1.00
204_L	226_E	1.942	1.00
111_A	240_S	1.939	1.00
92_V	98_S	1.930	1.00
210_E	223_Q	1.925	1.00
177_A	206_N	1.849	1.00
207_N	224_S	1.845	1.00
210_E	221_T	1.840	1.00
333_D	338_D	1.812	1.00
146_S	171_T	1.790	1.00
302_A	306_M	1.787	1.00
171_T	202_R	1.766	1.00
254_A	278_I	1.759	1.00
7_I	91_L	1.708	1.00
271_F	305_A	1.691	1.00
178_T	189_Q	1.679	1.00
86_R	270_I	1.678	1.00
147_V	163_A	1.676	1.00
245_L	248_E	1.646	1.00
264_R	268_P	1.595	1.00
103_Q	271_F	1.584	1.00
8_I	19_A	1.572	1.00
164_T	169_K	1.568	1.00
132_G	135_A	1.566	1.00
157_L	172_V	1.565	1.00
204_L	207_N	1.550	1.00
219_E	229_Q	1.547	1.00
105_F	273_G	1.545	1.00
39_H	42_Y	1.540	1.00
303_A	307_L	1.532	1.00
108_T	276_V	1.531	1.00
353_F	363_A	1.531	1.00
213_V	219_E	1.526	1.00
252_D	266_C	1.514	1.00
4_K	74_H	1.500	1.00
90_E	100_H	1.491	1.00
21_S	304_A	1.466	1.00
83_T	92_V	1.457	1.00
147_V	168_C	1.457	1.00
11_G	35_S	1.440	1.00
164_T	201_V	1.438	1.00
299_A	303_A	1.431	1.00
130_H	133_D	1.430	1.00
186_P	190_R	1.422	1.00
365_T	370_R	1.422	1.00
186_P	336_G	1.420	1.00
7_I	101_W	1.413	1.00
222_L	228_L	1.407	1.00
152_A	174_E	1.404	1.00
195_R	198_Q	1.402	1.00
7_I	32_H	1.377	1.00
50_S	53_L	1.376	1.00
76_H	97_E	1.371	1.00
174_E	205_L	1.361	1.00
338_D	354_N	1.357	1.00
131_A	135_A	1.355	1.00
80_T	94_T	1.336	1.00
103_Q	306_M	1.333	1.00
6_I	105_F	1.333	1.00
193_L	203_I	1.329	1.00
32_H	99_W	1.321	1.00
301_I	305_A	1.319	1.00
213_V	227_T	1.317	1.00
83_T	248_E	1.317	1.00
214_D	219_E	1.315	1.00
165_Q	199_A	1.303	1.00
193_L	205_L	1.295	1.00
194_Q	197_Q	1.285	1.00
254_A	258_V	1.284	1.00
67_W	71_N	1.277	1.00
152_A	179_V	1.276	1.00
14_A	295_A	1.253	1.00
133_D	136_R	1.251	1.00
147_V	232_V	1.249	1.00
257_I	272_A	1.244	1.00
45_P	50_S	1.244	1.00
335_R	352_W	1.237	1.00
146_S	229_Q	1.233	1.00
145_R	231_D	1.232	1.00
370_R	373_R	1.232	1.00
4_K	103_Q	1.223	1.00
264_R	269_A	1.210	1.00
126_F	140_V	1.208	1.00
93_L	96_G	1.205	1.00
150_I	233_V	1.196	1.00
173_I	228_L	1.195	1.00
185_P	352_W	1.191	1.00
207_N	222_L	1.188	1.00
178_T	186_P	1.187	1.00
46_P	50_S	1.186	1.00
9_V	106_I	1.183	1.00
110_A	239_I	1.179	1.00
93_L	99_W	1.178	1.00
85_G	90_E	1.176	1.00
194_Q	198_Q	1.174	1.00
207_N	223_Q	1.171	1.00
82_K	92_V	1.162	1.00
107_A	273_G	1.162	1.00
49_K	52_L	1.153	1.00
263_C	302_A	1.152	1.00
25_Q	304_A	1.146	1.00
214_D	217_K	1.143	1.00
83_T	89_R	1.141	1.00
8_I	15_A	1.139	1.00
64_P	67_W	1.129	1.00
106_I	276_V	1.128	1.00
335_R	339_W	1.120	1.00
263_C	277_A	1.115	1.00
46_P	49_K	1.108	1.00
262_A	305_A	1.104	1.00
9_V	81_I	1.099	1.00
135_A	138_R	1.099	1.00
204_L	228_L	1.094	1.00
173_I	222_L	1.094	1.00
63_L	67_W	1.094	1.00
195_R	199_A	1.091	1.00
65_A	69_Q	1.086	1.00
190_R	193_L	1.085	1.00
131_A	134_A	1.079	1.00
9_V	108_T	1.077	1.00
66_N	70_E	1.075	1.00
22_L	303_A	1.066	1.00
134_A	138_R	1.065	1.00
88_T	98_S	1.056	1.00
129_R	133_D	1.045	1.00
150_I	235_Y	1.044	1.00
157_L	324_Y	1.043	1.00
119_D	122_G	1.043	1.00
273_G	302_A	1.043	1.00
302_A	305_A	1.042	1.00
272_A	276_V	1.040	1.00
18_A	302_A	1.040	1.00
5_T	28_T	1.039	1.00
128_L	134_A	1.038	1.00
327_N	371_E	1.037	1.00
179_V	205_L	1.032	1.00
351_I	365_T	1.031	1.00
76_H	99_W	1.031	1.00
49_K	53_L	1.030	1.00
90_E	93_L	1.027	1.00
45_P	48_S	1.026	1.00
198_Q	348_Q	1.024	1.00
261_E	312_P	1.024	1.00
18_A	273_G	1.023	1.00
34_F	76_H	1.021	1.00
60_Q	63_L	1.019	1.00
21_S	25_Q	1.018	1.00
191_Y	366_L	1.013	1.00
93_L	97_E	1.011	1.00
250_N	253_T	1.011	1.00
212_V	233_V	1.005	1.00
259_I	272_A	1.002	1.00
370_R	374_P	1.001	1.00
328_L	366_L	0.997	1.00
340_L	343_G	0.996	1.00
6_I	27_F	0.986	1.00
18_A	299_A	0.984	1.00
145_R	169_K	0.975	1.00
64_P	68_W	0.975	1.00
140_V	168_C	0.973	1.00
45_P	49_K	0.971	1.00
244_Q	247_R	0.971	1.00
207_N	226_E	0.970	1.00
164_T	199_A	0.969	1.00
15_A	19_A	0.968	1.00
217_K	229_Q	0.965	1.00
39_H	43_E	0.965	1.00
83_T	87_D	0.960	1.00
116_P	120_A	0.957	1.00
83_T	86_R	0.954	1.00
34_F	81_I	0.954	1.00
82_K	94_T	0.952	1.00
56_S	59_L	0.952	1.00
197_Q	202_R	0.950	1.00
265_T	272_A	0.948	1.00
25_Q	307_L	0.947	1.00
178_T	193_L	0.944	1.00
68_W	71_N	0.940	1.00
257_I	276_V	0.939	1.00
48_S	52_L	0.935	1.00
253_T	258_V	0.932	1.00
86_R	89_R	0.928	1.00
34_F	93_L	0.923	1.00
144_E	168_C	0.923	1.00
148_V	228_L	0.917	1.00
304_A	309_L	0.911	1.00
173_I	207_N	0.911	1.00
46_P	52_L	0.909	1.00
137_L	232_V	0.905	1.00
259_I	277_A	0.905	1.00
5_T	100_H	0.904	1.00
104_L	270_I	0.903	1.00
68_W	73_V	0.898	1.00
174_E	181_G	0.897	1.00
85_G	89_R	0.897	1.00
40_L	43_E	0.896	1.00
48_S	53_L	0.891	1.00
258_V	266_C	0.887	1.00
146_S	168_C	0.882	1.00
150_I	209_I	0.881	1.00
78_G	95_N	0.881	1.00
63_L	66_N	0.880	1.00
264_R	305_A	0.878	1.00
21_S	24_Q	0.874	1.00
117_L	120_A	0.870	1.00
230_A	233_V	0.868	1.00
32_H	74_H	0.868	1.00
128_L	131_A	0.865	1.00
191_Y	195_R	0.865	1.00
45_P	52_L	0.865	1.00
21_S	300_Q	0.860	1.00
105_F	302_A	0.858	1.00
50_S	54_E	0.849	1.00
63_L	68_W	0.845	1.00
245_L	249_A	0.845	1.00
344_N	347_T	0.844	1.00
156_G	174_E	0.840	1.00
249_A	253_T	0.840	1.00
190_R	194_Q	0.839	1.00
19_A	73_V	0.838	1.00
173_I	204_L	0.835	1.00
130_H	135_A	0.830	1.00
160_A	172_V	0.830	1.00
112_A	115_L	0.827	1.00
62_V	66_N	0.824	1.00
172_V	203_I	0.820	1.00
6_I	306_M	0.815	1.00
244_Q	248_E	0.814	1.00
263_C	301_I	0.808	1.00
177_A	186_P	0.801	1.00
271_F	302_A	0.800	1.00
327_N	369_G	0.798	1.00
22_L	306_M	0.798	1.00
115_L	235_Y	0.798	1.00
47_L	50_S	0.793	1.00
150_I	237_I	0.792	1.00
262_A	310_P	0.791	1.00
129_R	137_L	0.791	1.00
11_G	33_L	0.790	1.00
18_A	303_A	0.789	1.00
334_M	337_D	0.789	1.00
27_F	31_L	0.789	1.00
218_V	233_V	0.784	1.00
66_N	69_Q	0.781	1.00
149_I	156_G	0.781	1.00
8_I	18_A	0.781	1.00
113_R	237_I	0.779	1.00
271_F	306_M	0.777	1.00
264_R	267_D	0.776	1.00
65_A	77_S	0.772	1.00
267_D	270_I	0.771	1.00
89_R	93_L	0.766	1.00
355_L	360_L	0.763	1.00
15_A	107_A	0.761	1.00
184_A	330_F	0.761	1.00
264_R	271_F	0.759	1.00
27_F	102_D	0.758	1.00
119_D	211_H	0.756	1.00
135_A	139_E	0.754	1.00
246_A	249_A	0.752	1.00
61_Q	64_P	0.749	1.00
49_K	54_E	0.749	1.00
50_S	57_P	0.748	1.00
128_L	132_G	0.746	1.00
294_N	298_Q	0.745	1.00
21_S	303_A	0.745	1.00
20_A	24_Q	0.744	1.00
161_A	165_Q	0.744	1.00
188_V	364_V	0.744	1.00
130_H	134_A	0.743	1.00
132_G	136_R	0.743	1.00
147_V	234_I	0.741	1.00
78_G	94_T	0.740	1.00
331_I	363_A	0.739	1.00
184_A	320_W	0.737	1.00
157_L	196_H	0.737	1.00
129_R	132_G	0.737	1.00
83_T	88_T	0.736	1.00
216_E	219_E	0.729	1.00
7_I	104_L	0.729	1.00
118_L	121_L	0.729	1.00
113_R	116_P	0.728	1.00
176_A	181_G	0.728	1.00
249_A	267_D	0.728	1.00
188_V	350_A	0.726	1.00
53_L	57_P	0.726	1.00
101_W	269_A	0.725	1.00
85_G	92_V	0.724	1.00
46_P	53_L	0.723	1.00
171_T	230_A	0.722	1.00
179_V	203_I	0.719	1.00
86_R	101_W	0.718	1.00
138_R	166_R	0.716	1.00
212_V	218_V	0.715	1.00
342_R	349_K	0.712	1.00
262_A	312_P	0.709	1.00
333_D	337_D	0.708	1.00
38_R	78_G	0.708	1.00
212_V	220_L	0.708	1.00
263_C	305_A	0.707	1.00
146_S	230_A	0.707	1.00
178_T	190_R	0.704	1.00
4_K	7_I	0.703	1.00
243_E	253_T	0.700	1.00
50_S	55_D	0.697	1.00
273_G	299_A	0.697	1.00
179_V	189_Q	0.696	1.00
52_L	56_S	0.695	1.00
149_I	160_A	0.694	1.00
297_N	300_Q	0.694	1.00
222_L	226_E	0.691	1.00
295_A	299_A	0.691	1.00
259_I	263_C	0.689	1.00
144_E	231_D	0.686	1.00
192_L	328_L	0.685	1.00
179_V	193_L	0.684	1.00
118_L	122_G	0.682	1.00
22_L	307_L	0.681	1.00
195_R	348_Q	0.680	1.00
320_W	330_F	0.679	1.00
62_V	67_W	0.677	1.00
149_I	234_I	0.677	1.00
5_T	99_W	0.677	1.00
4_K	28_T	0.676	1.00
37_E	44_R	0.676	1.00
321_S	371_E	0.675	1.00
159_L	234_I	0.675	1.00
22_L	31_L	0.673	1.00
129_R	134_A	0.672	1.00
187_P	352_W	0.667	1.00
128_L	133_D	0.666	1.00
20_A	71_N	0.666	1.00
51_M	55_D	0.665	1.00
192_L	366_L	0.664	1.00
67_W	72_N	0.663	1.00
54_E	58_Q	0.662	1.00
63_L	71_N	0.661	1.00
36_D	242_N	0.660	1.00
49_K	55_D	0.659	1.00
171_T	228_L	0.658	1.00
78_G	81_I	0.658	1.00
191_Y	194_Q	0.658	1.00
255_N	278_I	0.655	1.00
47_L	51_M	0.653	1.00
146_S	217_K	0.652	1.00
81_I	91_L	0.651	1.00
304_A	308_G	0.649	1.00
185_P	364_V	0.649	1.00
22_L	27_F	0.647	1.00
17_M	296_N	0.644	1.00
204_L	222_L	0.642	1.00
371_E	374_P	0.641	1.00
48_S	51_M	0.639	1.00
76_H	81_I	0.639	1.00
15_A	33_L	0.636	1.00
215_G	219_E	0.636	1.00
84_L	106_I	0.633	1.00
136_R	140_V	0.632	1.00
209_I	220_L	0.632	1.00
131_A	138_R	0.630	1.00
369_G	372_I	0.629	1.00
136_R	139_E	0.628	1.00
132_G	137_L	0.626	1.00
340_L	344_N	0.625	1.00
251_L	257_I	0.625	1.00
61_Q	65_A	0.623	1.00
335_R	354_N	0.623	1.00
51_M	54_E	0.622	1.00
222_L	225_G	0.618	1.00
196_H	203_I	0.617	1.00
45_P	51_M	0.616	1.00
196_H	324_Y	0.616	1.00
42_Y	45_P	0.616	1.00
67_W	70_E	0.616	1.00
343_G	350_A	0.615	1.00
45_P	53_L	0.613	1.00
156_G	236_G	0.613	1.00
65_A	68_W	0.613	1.00
68_W	75_L	0.612	1.00
115_L	120_A	0.611	1.00
4_K	76_H	0.610	1.00
160_A	170_V	0.609	1.00
129_R	135_A	0.608	1.00
275_D	295_A	0.608	1.00
300_Q	304_A	0.607	1.00
341_C	345_P	0.606	1.00
134_A	163_A	0.603	1.00
114_P	235_Y	0.602	1.00
353_F	360_L	0.601	1.00
53_L	56_S	0.601	1.00
188_V	366_L	0.601	1.00
86_R	269_A	0.599	1.00
35_S	75_L	0.599	1.00
342_R	345_P	0.597	1.00
241_A	256_G	0.597	1.00
134_A	137_L	0.596	1.00
301_I	313_L	0.596	1.00
160_A	201_V	0.595	1.00
27_F	307_L	0.593	1.00
23_R	31_L	0.592	1.00
23_R	73_V	0.591	1.00
334_M	364_V	0.591	1.00
69_Q	72_N	0.585	1.00
132_G	138_R	0.584	1.00
153_G	238_G	0.582	1.00
273_G	306_M	0.581	1.00
17_M	299_A	0.579	1.00
243_E	276_V	0.578	1.00
148_V	233_V	0.577	1.00
6_I	303_A	0.577	1.00
143_P	168_C	0.576	1.00
14_A	107_A	0.576	1.00
256_G	290_E	0.576	1.00
251_L	266_C	0.574	1.00
17_M	21_S	0.573	1.00
39_H	132_G	0.571	1.00
161_A	199_A	0.569	1.00
28_T	31_L	0.569	1.00
178_T	336_G	0.569	1.00
343_G	349_K	0.567	1.00
338_D	361_I	0.565	1.00
114_P	120_A	0.564	1.00
159_L	162_S	0.563	1.00
19_A	33_L	0.563	1.00
189_Q	193_L	0.562	1.00
101_W	267_D	0.562	1.00
272_A	277_A	0.562	1.00
165_Q	325_S	0.561	1.00
17_M	300_Q	0.560	1.00
187_P	190_R	0.559	1.00
104_L	269_A	0.559	1.00
243_E	256_G	0.558	1.00
46_P	51_M	0.556	1.00
308_G	313_L	0.555	1.00
217_K	231_D	0.555	1.00
54_E	57_P	0.552	1.00
74_H	77_S	0.552	1.00
126_F	232_V	0.551	1.00
243_E	247_R	0.550	1.00
365_T	373_R	0.549	1.00
155_I	236_G	0.549	1.00
81_I	89_R	0.549	1.00
62_V	65_A	0.548	1.00
83_T	104_L	0.546	1.00
82_K	86_R	0.546	1.00
180_M	192_L	0.545	1.00
196_H	201_V	0.544	1.00
256_G	278_I	0.544	1.00
128_L	137_L	0.544	1.00
329_Q	370_R	0.543	1.00
163_A	168_C	0.541	1.00
25_Q	309_L	0.540	1.00
343_G	346_E	0.537	1.00
251_L	267_D	0.537	1.00
157_L	203_I	0.536	1.00
253_T	257_I	0.535	1.00
15_A	35_S	0.534	1.00
355_L	358_G	0.534	1.00
341_C	344_N	0.533	1.00
46_P	55_D	0.532	1.00
308_G	312_P	0.531	1.00
120_A	235_Y	0.531	1.00
265_T	270_I	0.527	1.00
271_F	309_L	0.526	1.00
82_K	85_G	0.525	1.00
195_R	366_L	0.525	1.00
61_Q	68_W	0.524	1.00
81_I	85_G	0.524	1.00
134_A	140_V	0.521	1.00
81_I	86_R	0.521	1.00
257_I	265_T	0.520	1.00
115_L	237_I	0.519	1.00
40_L	75_L	0.517	1.00
45_P	54_E	0.517	1.00
6_I	103_Q	0.515	1.00
50_S	56_S	0.513	1.00
126_F	129_R	0.513	1.00
148_V	171_T	0.512	1.00
157_L	179_V	0.510	1.00
16_A	33_L	0.509	1.00
342_R	347_T	0.509	1.00
277_A	298_Q	0.508	1.00
8_I	107_A	0.506	1.00
174_E	177_A	0.506	1.00
249_A	266_C	0.505	1.00
18_A	22_L	0.505	1.00
46_P	56_S	0.502	1.00
214_D	218_V	0.502	1.00
127_T	133_D	0.501	1.00
253_T	256_G	0.500	1.00
127_T	130_H	0.500	1.00
261_E	280_R	0.500	1.00
175_L	181_G	0.500	1.00
351_I	355_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
1q1rA	1	0.9975	100	0.233	Contact Map
3lxdA	1	1	100	0.234	Contact Map
3fg2P	1	0.9925	100	0.243	Contact Map
2gqwA	2	0.97	100	0.251	Contact Map
3ef6A	1	0.99	100	0.261	Contact Map
3kljA	1	0.94	100	0.262	Contact Map
3iwaA	2	0.875	100	0.264	Contact Map
3icsA	2	0.995	100	0.277	Contact Map
3ntdA	2	0.9925	100	0.277	Contact Map
4fx9A	2	0.985	100	0.287	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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