Q9HNB5 - HALSA - GREMLIN Contacts

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Q9HNB5 - Alcohol dehydrogenase

UniProt:	Q9HNB5	Sequences: MSQSPAAFRFDYESPALRFGPDSVRDLDASLDAHDADTALVVTGSTVGTTPAVMDPVRDGLGDRLAGVFAETTGEKRLTTAFDAAERVAATDADAIVAVGGGSSIDVATVAAALTGTTQSRAAVARTVRDTATVPIPDGALPPIVVVPTTLAGADISQGAGIAAHPDAGVVDDTHSAVADDRRLMPASVVADPVLAATTPRSVLAGSAMNGLNKGIETLYAATATPITDATASHGVGTLAAGLRALGTADPTPETMAPILRGLLLVEYGISRPDATTLSLTHAFGHALSRASPIQQGVAHAVVTPHVLAHLFDSTDGRRDRLAAALDVGDDPDPASAVIDAVTAVRDALGLPARLRDTDGPARSELQAVAAAAVADPFVDNAPDGVPLTRADATEILDAAW	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	401 (365)
Sequences:	10075 (6978)
Seq/√Len:	365.2

ECOLI - ADHE EUTG ADH2 YQHD FUCO GLDA YBDH
BACSU - GBSB YUGK YUGJ G1PDH
HALSA - Q9HNB5 Q9HHR2 G1PDH
SULSO - Q97VW4 G1PDH

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
371_A	390_R	3.826	1.00
367_Q	394_T	3.775	1.00
244_R	348_A	3.620	1.00
309_A	343_T	3.205	1.00
86_E	90_A	3.158	1.00
79_T	165_H	3.028	1.00
363_R	398_D	3.011	1.00
249_A	252_T	2.762	1.00
84_A	111_A	2.747	1.00
245_A	252_T	2.689	1.00
242_G	258_P	2.568	1.00
197_A	253_P	2.523	1.00
55_D	59_D	2.499	1.00
389_T	392_D	2.497	1.00
21_P	194_V	2.454	1.00
366_L	394_T	2.374	1.00
284_F	397_L	2.325	1.00
71_E	83_D	2.306	1.00
234_H	237_G	2.294	1.00
394_T	398_D	2.288	1.00
215_G	235_G	2.237	1.00
39_A	95_A	2.209	1.00
26_D	29_A	2.202	1.00
23_S	26_D	2.194	1.00
362_A	365_E	2.165	1.00
354_R	357_D	2.153	1.00
191_A	260_L	2.088	1.00
344_A	348_A	2.069	1.00
229_D	318_R	2.049	1.00
22_D	194_V	2.047	1.00
46_T	50_T	2.042	1.00
211_G	239_L	1.982	1.00
38_T	65_L	1.962	1.00
105_I	146_V	1.935	1.00
88_V	142_P	1.918	1.00
212_L	236_V	1.917	1.00
390_R	394_T	1.900	1.00
370_A	394_T	1.892	1.00
164_A	173_D	1.880	1.00
204_L	256_M	1.841	1.00
96_I	108_A	1.813	1.00
73_T	80_T	1.802	1.00
88_V	115_T	1.790	1.00
369_V	397_L	1.787	1.00
206_G	298_V	1.768	1.00
240_A	326_L	1.763	1.00
311_L	382_A	1.744	1.00
341_A	344_A	1.741	1.00
309_A	399_A	1.725	1.00
395_E	399_A	1.717	1.00
37_D	94_D	1.704	1.00
370_A	390_R	1.698	1.00
244_R	248_T	1.688	1.00
58_R	62_G	1.684	1.00
323_A	338_V	1.679	1.00
21_P	253_P	1.674	1.00
236_V	322_L	1.663	1.00
285_G	299_A	1.658	1.00
367_Q	390_R	1.631	1.00
317_G	331_D	1.630	1.00
55_D	58_R	1.629	1.00
248_T	348_A	1.601	1.00
302_V	358_T	1.598	1.00
347_D	353_A	1.583	1.00
44_G	47_V	1.581	1.00
196_A	256_M	1.579	1.00
80_T	83_D	1.548	1.00
254_E	258_P	1.547	1.00
67_G	91_T	1.544	1.00
82_F	120_S	1.534	1.00
201_R	205_A	1.524	1.00
38_T	67_G	1.521	1.00
87_R	91_T	1.518	1.00
208_A	243_L	1.516	1.00
98_A	144_I	1.515	1.00
48_G	70_A	1.513	1.00
21_P	257_A	1.510	1.00
28_D	60_G	1.505	1.00
83_D	86_E	1.501	1.00
233_S	321_R	1.493	1.00
16_A	30_S	1.487	1.00
31_L	95_A	1.481	1.00
59_D	63_D	1.478	1.00
308_L	342_V	1.473	1.00
291_A	368_A	1.467	1.00
81_A	162_I	1.462	1.00
340_D	344_A	1.448	1.00
395_E	398_D	1.441	1.00
324_A	334_P	1.438	1.00
368_A	372_A	1.433	1.00
39_A	97_V	1.427	1.00
25_R	56_P	1.417	1.00
309_A	336_S	1.416	1.00
365_E	368_A	1.407	1.00
67_G	87_R	1.391	1.00
67_G	93_A	1.389	1.00
202_S	298_V	1.388	1.00
30_S	33_A	1.378	1.00
194_V	253_P	1.378	1.00
116_G	140_A	1.366	1.00
85_A	114_L	1.364	1.00
284_F	303_V	1.361	1.00
209_M	346_R	1.357	1.00
252_T	255_T	1.357	1.00
42_V	111_A	1.356	1.00
98_A	108_A	1.355	1.00
78_L	82_F	1.353	1.00
336_S	340_D	1.342	1.00
245_A	249_A	1.337	1.00
18_R	30_S	1.332	1.00
87_R	90_A	1.314	1.00
196_A	260_L	1.314	1.00
208_A	259_I	1.311	1.00
294_I	299_A	1.301	1.00
201_R	247_G	1.291	1.00
56_P	194_V	1.288	1.00
145_V	188_S	1.286	1.00
392_D	395_E	1.271	1.00
204_L	250_D	1.261	1.00
88_V	93_A	1.260	1.00
242_G	245_A	1.253	1.00
95_A	145_V	1.250	1.00
112_A	141_L	1.247	1.00
73_T	77_R	1.239	1.00
82_F	86_E	1.235	1.00
241_A	258_P	1.235	1.00
119_Q	123_A	1.230	1.00
209_M	351_L	1.227	1.00
30_S	188_S	1.226	1.00
239_L	259_I	1.224	1.00
312_F	336_S	1.223	1.00
40_L	93_A	1.223	1.00
81_A	107_V	1.222	1.00
17_L	264_L	1.212	1.00
42_V	72_T	1.209	1.00
96_I	112_A	1.209	1.00
242_G	255_T	1.208	1.00
368_A	371_A	1.200	1.00
62_G	66_A	1.200	1.00
47_V	50_T	1.194	1.00
391_A	394_T	1.184	1.00
310_H	392_D	1.180	1.00
194_V	197_A	1.176	1.00
23_S	190_V	1.176	1.00
88_V	111_A	1.170	1.00
38_T	91_T	1.166	1.00
233_S	237_G	1.164	1.00
86_E	89_A	1.161	1.00
306_H	399_A	1.158	1.00
58_R	66_A	1.157	1.00
108_A	144_I	1.154	1.00
151_L	204_L	1.152	1.00
77_R	80_T	1.145	1.00
42_V	108_A	1.144	1.00
119_Q	124_V	1.140	1.00
218_T	269_G	1.136	1.00
280_L	388_L	1.132	1.00
18_R	26_D	1.132	1.00
193_P	257_A	1.120	1.00
230_A	234_H	1.115	1.00
40_L	87_R	1.110	1.00
284_F	393_A	1.105	1.00
204_L	246_L	1.102	1.00
85_A	89_A	1.098	1.00
320_D	334_P	1.097	1.00
316_D	332_P	1.089	1.00
21_P	197_A	1.087	1.00
32_D	64_R	1.082	1.00
57_V	99_V	1.079	1.00
59_D	62_G	1.079	1.00
312_F	335_A	1.079	1.00
24_V	147_V	1.071	1.00
44_G	50_T	1.065	1.00
201_R	248_T	1.062	1.00
156_I	264_L	1.059	1.00
320_D	331_D	1.058	1.00
46_T	49_T	1.058	1.00
234_H	238_T	1.054	1.00
38_T	92_D	1.054	1.00
22_D	25_R	1.053	1.00
374_V	390_R	1.052	1.00
45_S	71_E	1.050	1.00
233_S	325_A	1.046	1.00
159_G	180_D	1.046	1.00
199_T	203_V	1.046	1.00
281_T	304_T	1.045	1.00
20_G	23_S	1.042	1.00
292_S	365_E	1.036	1.00
371_A	375_A	1.035	1.00
45_S	70_A	1.032	1.00
391_A	395_E	1.030	1.00
77_R	165_H	1.028	1.00
215_G	266_V	1.027	1.00
219_L	321_R	1.024	1.00
45_S	49_T	1.017	1.00
78_L	165_H	1.006	1.00
41_V	54_M	1.003	1.00
322_L	338_V	1.002	1.00
245_A	254_E	1.001	1.00
27_L	57_V	1.001	1.00
40_L	88_V	0.996	1.00
205_A	247_G	0.994	1.00
366_L	398_D	0.991	1.00
240_A	341_A	0.985	1.00
313_D	384_D	0.981	1.00
291_A	372_A	0.977	1.00
43_T	70_A	0.975	1.00
229_D	232_A	0.973	1.00
321_R	324_A	0.971	1.00
281_T	300_H	0.970	1.00
24_V	56_P	0.968	1.00
31_L	145_V	0.968	1.00
79_T	166_P	0.966	1.00
209_M	301_A	0.964	1.00
72_T	107_V	0.955	1.00
202_S	206_G	0.954	1.00
212_L	239_L	0.940	1.00
41_V	66_A	0.938	1.00
218_T	229_D	0.936	1.00
75_E	293_P	0.935	1.00
29_A	64_R	0.930	1.00
245_A	255_T	0.928	1.00
313_D	332_P	0.927	1.00
337_A	340_D	0.925	1.00
239_L	262_G	0.921	1.00
146_V	186_P	0.919	1.00
250_D	256_M	0.919	1.00
156_I	189_V	0.915	1.00
85_A	111_A	0.914	1.00
25_R	60_G	0.914	1.00
333_D	337_A	0.911	1.00
235_G	266_V	0.910	1.00
353_A	357_D	0.906	1.00
98_A	146_V	0.904	1.00
324_A	331_D	0.903	1.00
197_A	251_P	0.903	1.00
22_D	192_D	0.900	1.00
280_L	307_V	0.899	1.00
39_A	94_D	0.896	1.00
16_A	33_A	0.896	1.00
320_D	335_A	0.894	1.00
247_G	350_G	0.893	1.00
367_Q	371_A	0.892	1.00
320_D	324_A	0.890	1.00
238_T	258_P	0.886	1.00
73_T	83_D	0.883	1.00
283_A	379_V	0.878	1.00
246_L	250_D	0.876	1.00
237_G	241_A	0.875	1.00
98_A	105_I	0.875	1.00
285_G	289_S	0.874	1.00
231_T	265_L	0.873	1.00
370_A	374_V	0.872	1.00
143_P	187_A	0.871	1.00
85_A	115_T	0.869	1.00
41_V	58_R	0.868	1.00
246_L	255_T	0.862	1.00
213_N	304_T	0.862	1.00
166_P	173_D	0.860	1.00
222_A	225_T	0.860	1.00
216_I	236_V	0.859	1.00
247_G	349_L	0.857	1.00
54_M	58_R	0.856	1.00
206_G	295_Q	0.850	1.00
174_T	293_P	0.848	1.00
105_I	148_P	0.848	1.00
28_D	63_D	0.846	1.00
42_V	104_S	0.839	1.00
230_A	237_G	0.838	1.00
120_S	123_A	0.835	1.00
261_R	265_L	0.834	1.00
216_I	322_L	0.832	1.00
133_T	136_I	0.831	1.00
287_A	397_L	0.831	1.00
77_R	293_P	0.831	1.00
310_H	384_D	0.831	1.00
238_T	262_G	0.829	1.00
20_G	26_D	0.829	1.00
107_V	111_A	0.828	1.00
218_T	232_A	0.828	1.00
105_I	154_A	0.824	1.00
146_V	189_V	0.824	1.00
343_T	347_D	0.821	1.00
81_A	110_V	0.817	1.00
112_A	142_P	0.816	1.00
205_A	351_L	0.814	1.00
306_H	309_A	0.813	1.00
115_T	142_P	0.813	1.00
24_V	194_V	0.813	1.00
56_P	195_L	0.810	1.00
220_Y	308_L	0.809	1.00
117_T	139_G	0.808	1.00
112_A	144_I	0.805	1.00
308_L	319_R	0.802	1.00
352_P	357_D	0.800	1.00
24_V	195_L	0.799	1.00
310_H	388_L	0.798	1.00
151_L	260_L	0.790	1.00
245_A	248_T	0.789	1.00
215_G	232_A	0.788	1.00
242_G	259_I	0.785	1.00
331_D	334_P	0.784	1.00
212_L	216_I	0.783	1.00
316_D	331_D	0.782	1.00
328_V	337_A	0.779	1.00
24_V	192_D	0.777	1.00
287_A	372_A	0.776	1.00
309_A	339_I	0.768	1.00
56_P	60_G	0.768	1.00
28_D	64_R	0.765	1.00
201_R	350_G	0.765	1.00
48_G	54_M	0.765	1.00
312_F	316_D	0.763	1.00
79_T	83_D	0.762	1.00
158_Q	182_R	0.759	1.00
62_G	65_L	0.757	1.00
314_S	384_D	0.757	1.00
27_L	147_V	0.755	1.00
241_A	244_R	0.754	1.00
18_R	23_S	0.754	1.00
280_L	393_A	0.749	1.00
210_N	296_Q	0.748	1.00
254_E	257_A	0.747	1.00
219_L	233_S	0.747	1.00
374_V	393_A	0.741	1.00
288_L	299_A	0.741	1.00
69_F	83_D	0.739	1.00
26_D	30_S	0.737	1.00
56_P	59_D	0.735	1.00
144_I	187_A	0.733	1.00
282_H	296_Q	0.725	1.00
322_L	342_V	0.724	1.00
38_T	94_D	0.722	1.00
24_V	57_V	0.719	1.00
328_V	341_A	0.718	1.00
113_A	184_L	0.718	1.00
199_T	207_S	0.717	1.00
344_A	347_D	0.715	0.99
69_F	84_A	0.713	0.99
60_G	63_D	0.713	0.99
303_V	396_I	0.712	0.99
196_A	204_L	0.712	0.99
305_P	346_R	0.708	0.99
242_G	254_E	0.706	0.99
367_Q	370_A	0.705	0.99
82_F	85_A	0.705	0.99
52_A	55_D	0.703	0.99
224_A	318_R	0.702	0.99
308_L	338_V	0.701	0.99
347_D	357_D	0.699	0.99
19_F	257_A	0.699	0.99
315_T	319_R	0.693	0.99
116_G	142_P	0.692	0.99
286_H	376_D	0.692	0.99
240_A	244_R	0.689	0.99
337_A	341_A	0.689	0.99
201_R	250_D	0.687	0.99
298_V	352_P	0.686	0.99
32_D	37_D	0.685	0.99
237_G	321_R	0.684	0.99
65_L	68_V	0.684	0.99
191_A	264_L	0.681	0.99
24_V	60_G	0.681	0.99
38_T	93_A	0.678	0.99
31_L	97_V	0.678	0.99
345_V	349_L	0.676	0.99
244_R	247_G	0.674	0.99
285_G	300_H	0.674	0.99
55_D	62_G	0.674	0.99
219_L	318_R	0.672	0.99
209_M	349_L	0.671	0.99
208_A	349_L	0.671	0.99
301_A	346_R	0.666	0.99
283_A	378_F	0.665	0.99
352_P	358_T	0.664	0.99
110_V	160_A	0.660	0.99
253_P	257_A	0.660	0.99
98_A	104_S	0.659	0.99
83_D	87_R	0.659	0.99
288_L	397_L	0.658	0.99
151_L	196_A	0.656	0.99
237_G	325_A	0.654	0.99
224_A	229_D	0.653	0.99
29_A	33_A	0.652	0.99
366_L	397_L	0.650	0.99
49_T	55_D	0.650	0.99
31_L	61_L	0.650	0.99
40_L	69_F	0.650	0.99
294_I	358_T	0.647	0.99
30_S	34_H	0.647	0.99
58_R	68_V	0.646	0.99
234_H	265_L	0.645	0.99
388_L	396_I	0.644	0.99
223_T	277_T	0.642	0.99
193_P	253_P	0.640	0.99
81_A	111_A	0.639	0.99
372_A	375_A	0.637	0.99
323_A	328_V	0.637	0.99
241_A	245_A	0.636	0.99
28_D	32_D	0.636	0.99
361_P	366_L	0.636	0.99
213_N	281_T	0.635	0.99
236_V	240_A	0.634	0.99
288_L	355_L	0.634	0.99
160_A	179_A	0.632	0.99
388_L	393_A	0.631	0.99
316_D	320_D	0.631	0.99
242_G	246_L	0.629	0.99
210_N	282_H	0.628	0.99
308_L	339_I	0.628	0.99
75_E	103_S	0.627	0.99
213_N	300_H	0.626	0.99
343_T	353_A	0.626	0.99
145_V	190_V	0.624	0.99
156_I	268_Y	0.624	0.99
270_I	278_L	0.624	0.99
25_R	194_V	0.624	0.99
342_V	346_R	0.624	0.99
19_F	261_R	0.623	0.99
27_L	60_G	0.621	0.99
216_I	338_V	0.621	0.99
40_L	91_T	0.619	0.99
305_P	343_T	0.614	0.98
47_V	54_M	0.612	0.98
88_V	96_I	0.611	0.98
43_T	48_G	0.608	0.98
355_L	361_P	0.606	0.98
291_A	365_E	0.604	0.98
18_R	188_S	0.604	0.98
309_A	312_F	0.603	0.98
82_F	114_L	0.601	0.98
61_L	66_A	0.600	0.98
388_L	392_D	0.599	0.98
157_S	267_E	0.598	0.98
298_V	351_L	0.597	0.98
309_A	340_D	0.597	0.98
222_A	387_P	0.594	0.98
53_V	195_L	0.594	0.98
29_A	32_D	0.593	0.98
21_P	254_E	0.593	0.98
321_R	325_A	0.589	0.98
322_L	326_L	0.589	0.98
238_T	265_L	0.588	0.98
148_P	191_A	0.585	0.98
220_Y	319_R	0.585	0.98
216_I	304_T	0.585	0.98
310_H	389_T	0.583	0.98
122_A	166_P	0.583	0.98
34_H	145_V	0.582	0.98
361_P	369_V	0.582	0.98
376_D	380_D	0.582	0.98
110_V	162_I	0.581	0.98
295_Q	298_V	0.581	0.98
147_V	190_V	0.580	0.98
148_P	263_L	0.577	0.98
140_A	183_R	0.577	0.98
246_L	259_I	0.575	0.98
37_D	65_L	0.574	0.98
113_A	137_P	0.573	0.98
41_V	99_V	0.573	0.98
48_G	55_D	0.572	0.98
280_L	283_A	0.572	0.98
42_V	84_A	0.571	0.98
17_L	189_V	0.570	0.98
47_V	53_V	0.570	0.98
214_K	266_V	0.569	0.97
316_D	335_A	0.569	0.97
312_F	332_P	0.568	0.97
219_L	229_D	0.567	0.97
73_T	293_P	0.566	0.97
197_A	256_M	0.565	0.97
25_R	63_D	0.563	0.97
97_V	145_V	0.561	0.97
141_L	187_A	0.561	0.97
317_G	320_D	0.561	0.97
300_H	303_V	0.560	0.97
43_T	104_S	0.559	0.97
117_T	141_L	0.558	0.97
28_D	31_L	0.557	0.97
44_G	49_T	0.557	0.97
117_T	124_V	0.556	0.97
377_P	380_D	0.554	0.97
316_D	319_R	0.554	0.97
244_R	345_V	0.553	0.97
25_R	59_D	0.552	0.97
340_D	343_T	0.549	0.97
221_A	381_N	0.548	0.97
238_T	242_G	0.547	0.97
116_G	141_L	0.546	0.97
363_R	366_L	0.546	0.97
332_P	336_S	0.546	0.97
87_R	93_A	0.545	0.97
236_V	239_L	0.545	0.97
284_F	373_A	0.544	0.97
301_A	351_L	0.544	0.97
114_L	118_T	0.544	0.97
325_A	328_V	0.544	0.97
208_A	239_L	0.543	0.97
310_H	396_I	0.542	0.97
257_A	261_R	0.538	0.96
373_A	397_L	0.537	0.96
240_A	345_V	0.536	0.96
216_I	308_L	0.536	0.96
384_D	392_D	0.535	0.96
95_A	143_P	0.533	0.96
82_F	121_R	0.530	0.96
43_T	68_V	0.529	0.96
339_I	343_T	0.529	0.96
57_V	60_G	0.529	0.96
193_P	260_L	0.527	0.96
288_L	369_V	0.527	0.96
75_E	289_S	0.526	0.96
370_A	393_A	0.526	0.96
306_H	396_I	0.526	0.96
302_V	351_L	0.524	0.96
356_R	363_R	0.522	0.96
213_N	279_S	0.521	0.96
208_A	247_G	0.521	0.96
54_M	99_V	0.521	0.96
40_L	84_A	0.520	0.96
214_K	296_Q	0.519	0.96
35_D	94_D	0.517	0.96
18_R	190_V	0.515	0.96
334_P	337_A	0.515	0.96
53_V	99_V	0.515	0.96
48_G	68_V	0.514	0.95
184_L	187_A	0.514	0.95
235_G	262_G	0.512	0.95
65_L	91_T	0.511	0.95
181_D	184_L	0.510	0.95
161_G	210_N	0.509	0.95
39_A	66_A	0.509	0.95
176_S	296_Q	0.509	0.95
280_L	382_A	0.509	0.95
224_A	228_T	0.508	0.95
80_T	107_V	0.508	0.95
243_L	345_V	0.508	0.95
366_L	370_A	0.507	0.95
319_R	322_L	0.507	0.95
141_L	183_R	0.507	0.95
205_A	345_V	0.505	0.95
48_G	58_R	0.505	0.95
117_T	138_D	0.504	0.95
346_R	351_L	0.503	0.95
346_R	349_L	0.502	0.95
121_R	124_V	0.501	0.95
133_T	137_P	0.501	0.95
106_D	296_Q	0.500	0.95

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
3ox4A	2	0.9352	100	0.147	Contact Map
3bfjA	5	0.9327	100	0.147	Contact Map
1rrmA	2	0.9302	100	0.166	Contact Map
1vljA	2	0.9576	100	0.167	Contact Map
4fr2A	2	0.9352	100	0.169	Contact Map
3zdrA	2	0.9451	100	0.186	Contact Map
4qgsA	2	0.9277	100	0.187	Contact Map
3w5sA	2	0.8579	100	0.211	Contact Map
3iv7A	2	0.8554	100	0.212	Contact Map
3jzdA	3	0.8678	100	0.214	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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