BTUDA - HALSA - GREMLIN Contacts

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BTUDA - Cobalamin import ATP-binding protein BtuD

UniProt:	Q9HQ18	Sequences: MTLDVTGLDVELAGTRILDDVHASIRDGHLVGVVGPNGAGKSTLLRAMNGLITPTAGTVLVAGDDVHALSSAAASRRIATVPQDASVSFEFTVRQVVEMGRHPHTTRFGTDTDTAVVDRAMARTGVAQFAARDVTSLSGGERQRVLLARALAQAAPVLLLDEPTASLDVNHQIRTLEVVRDLADSEDRAVVAAIHDLDLAARYCDELVVVADGRVHDAGAPRSVLTPDTIRAAFDARVAVGTDPATGAVTVTPLPDRTSAAADTSVHVVGGGDSATPVVRRLVSAGASVSVGPVVEGDTDHETARRVGCPCTSVAPFTRLEDTTAASATRADIAAADVIAVPVAAAARPGVRGLLTGAVPTLAVGDAAGAPEWADRLVACDAVVSAVGALADTPSDGV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	398 (308)
Sequences:	5734 (4900)
Seq/√Len:	279.2

ECOLI - PROV RBSA POTG POTA CYSA MALK METN FBPC YDCT ARAG YCJV UGPC MODC YEHX YHES DPPF MACB YADG DPPD OPPF MDLB MDLA OPPD SAPD CYDC UUP DDPD GSIA MSBA CYDD YTFR YOJI FEPC LSRA DDPF SAPF FECE MLAF HISP FHUC NIKE TAUB GLNQ PHNC YECC YPHE LIVG LPTB SSUB YHDZ GLTL ARTP PHNK SUFC ALSA LIVF MODF XYLG FTSE PSTB THIQ LOLD ZNUC BTUD ETTA FETA MGLA YBBA YEJF NIKD PHNL YDDA CCMA YNJD YBHF YBIT
BACSU - YVRA OPUAA OPUCA OPUBA TAGH MSMX METN YURJ YHEH OPPD RBSA YKFD YFIL DPPD SUNT YXLF YFIC YDBJ YCBN YHCH YGAD APPD YFIB YFMR BMRA APPF YHAQ YKNV YDIF YVFR YKNU YHEI YWJA OPPF CYDD YUSV YKOD CYDC ECFA1 YKPA YTRB YCLP FHUC YFMF YLMA YFMM TCYN BCEA YXDL ECSA SUFC FTSE YVCR YXEO TCYC ECFA2 ARTM SKFE GLNQ YTLC PSTB1 ALBC NATA SSUB YVRO MNTB YJKB PSTB2 YKNY YTHP ZNUC YCLH EXPZ YYBJ YHCG YUFO YTRE YYDI
HALSA - BTUDA Q9HMX3 Q9HMW0 Q9HHQ5 Q9HR06 Q9HNZ9 Q9HMX2 Q9HMT3 Q9HSQ7 Q9HRJ6 Q9HMG1 Q9HMU8 PSTB2 Q9HRH8 Q9HMG6 PHNC Q9HHM2 Q9HNY3 Q9HRV7 Y2317 Y1631 PSTB1 Q9HRZ9 Q9HHR7 Q9HR96 Q9HR21 Q9HT03 Q9HS04 Q9HQA8 Q9HMC1 Q9HMW1
SULSO - Q97UJ9 Q97UF2 Q7LX64 Q97YY4 Q97UY8 Q97ZC0 Q97VF5 Q97YP3 Q97UH3 Q97VC1 Q97VH6 Q97VK8 Q97VK9 Q97YP7 Q97VF4 Q97YK2 Q97X18 Q97YP8 Q97YQ7 Q97UD4 Q980W0 Q97Z03 Q97U54 Q97UH4 Q97V01 PSTB Q97V00 Q97W42 Q97UG5 Q7LXM4 Q7LY07 Y2030 Y1893 Q97VM2 Q97VY4 Q7LX80 Q97Z56 Q97YP4 Q97Z96 Q97UC2 Q980K5 Q97ZU0 Q980E6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
7_G	20_D	4.416	1.00
285_A	309_C	4.182	1.00
271_G	323_T	3.587	1.00
5_V	8_L	3.427	1.00
90_E	135_T	3.287	1.00
201_A	222_R	3.077	1.00
16_R	19_D	2.960	1.00
6_T	58_T	2.871	1.00
91_F	99_M	2.777	1.00
10_V	47_A	2.606	1.00
29_H	206_E	2.504	1.00
312_T	316_P	2.498	1.00
278_V	316_P	2.493	1.00
10_V	55_T	2.465	1.00
321_E	325_A	2.442	1.00
314_V	318_T	2.351	1.00
88_S	91_F	2.287	1.00
286_G	313_S	2.241	1.00
8_L	54_P	2.240	1.00
45_L	193_A	2.220	1.00
318_T	322_D	2.093	1.00
288_S	292_G	2.093	1.00
9_D	56_A	2.046	1.00
278_V	320_L	2.031	1.00
19_D	214_R	2.028	1.00
274_S	278_V	2.004	1.00
285_A	288_S	1.969	1.00
11_E	55_T	1.943	1.00
47_A	54_P	1.936	1.00
290_S	310_P	1.915	1.00
269_V	273_D	1.858	1.00
290_S	314_V	1.844	1.00
25_I	31_V	1.844	1.00
7_G	22_H	1.833	1.00
282_L	320_L	1.822	1.00
275_A	320_L	1.816	1.00
96_V	134_V	1.795	1.00
278_V	281_R	1.741	1.00
305_R	309_C	1.739	1.00
32_G	200_A	1.739	1.00
292_G	295_V	1.738	1.00
49_N	159_L	1.662	1.00
270_G	274_S	1.654	1.00
309_C	312_T	1.636	1.00
32_G	204_C	1.624	1.00
134_V	145_V	1.591	1.00
31_V	208_V	1.576	1.00
310_P	314_V	1.568	1.00
5_V	23_A	1.555	1.00
47_A	59_V	1.549	1.00
281_R	285_A	1.547	1.00
11_E	16_R	1.520	1.00
92_T	95_Q	1.517	1.00
316_P	320_L	1.516	1.00
280_R	284_S	1.506	1.00
284_S	288_S	1.496	1.00
282_L	313_S	1.492	1.00
270_G	273_D	1.485	1.00
252_T	255_P	1.479	1.00
4_D	24_S	1.477	1.00
305_R	308_G	1.474	1.00
5_V	48_M	1.470	1.00
277_P	280_R	1.464	1.00
301_H	304_A	1.454	1.00
96_V	149_R	1.445	1.00
287_A	291_V	1.442	1.00
322_D	325_A	1.433	1.00
285_A	313_S	1.432	1.00
308_G	312_T	1.430	1.00
286_G	310_P	1.427	1.00
172_Q	176_L	1.414	1.00
289_V	306_R	1.412	1.00
220_A	223_S	1.405	1.00
109_G	114_T	1.380	1.00
316_P	319_R	1.377	1.00
26_R	29_H	1.374	1.00
231_R	234_F	1.369	1.00
261_A	264_T	1.362	1.00
10_V	52_I	1.354	1.00
46_R	51_L	1.352	1.00
89_F	135_T	1.333	1.00
279_V	283_V	1.324	1.00
295_V	298_D	1.323	1.00
23_A	208_V	1.323	1.00
285_A	292_G	1.320	1.00
323_T	326_A	1.319	1.00
109_G	112_T	1.315	1.00
292_G	306_R	1.313	1.00
253_P	256_D	1.312	1.00
279_V	317_F	1.309	1.00
286_G	314_V	1.307	1.00
255_P	258_T	1.305	1.00
259_S	262_A	1.304	1.00
272_G	276_T	1.298	1.00
18_L	47_A	1.294	1.00
323_T	327_S	1.294	1.00
307_V	311_C	1.291	1.00
9_D	20_D	1.288	1.00
132_R	136_S	1.284	1.00
91_F	95_Q	1.283	1.00
266_V	270_G	1.281	1.00
6_T	22_H	1.267	1.00
313_S	316_P	1.262	1.00
296_E	299_T	1.258	1.00
272_G	327_S	1.243	1.00
319_R	322_D	1.229	1.00
79_A	155_A	1.225	1.00
4_D	60_L	1.218	1.00
315_A	319_R	1.216	1.00
11_E	14_G	1.215	1.00
286_G	290_S	1.210	1.00
260_A	264_T	1.209	1.00
289_V	313_S	1.208	1.00
318_T	321_E	1.206	1.00
110_T	113_D	1.202	1.00
31_V	191_V	1.196	1.00
79_A	150_A	1.191	1.00
13_A	16_R	1.190	1.00
45_L	159_L	1.175	1.00
271_G	275_A	1.174	1.00
262_A	265_S	1.169	1.00
100_G	149_R	1.164	1.00
46_R	52_I	1.161	1.00
8_L	47_A	1.158	1.00
47_A	55_T	1.149	1.00
267_H	271_G	1.146	1.00
91_F	96_V	1.137	1.00
257_R	260_A	1.130	1.00
308_G	311_C	1.127	1.00
219_G	223_S	1.118	1.00
94_R	98_E	1.114	1.00
266_V	269_V	1.113	1.00
179_V	190_V	1.105	1.00
232_A	236_A	1.098	1.00
302_E	305_R	1.098	1.00
36_P	39_A	1.086	1.00
309_C	313_S	1.084	1.00
299_T	302_E	1.084	1.00
112_T	116_V	1.081	1.00
254_L	257_R	1.078	1.00
159_L	191_V	1.072	1.00
319_R	323_T	1.071	1.00
325_A	329_T	1.063	1.00
256_D	260_A	1.053	1.00
299_T	303_T	1.051	1.00
311_C	315_A	1.048	1.00
12_L	17_I	1.047	1.00
61_V	64_D	1.046	1.00
267_H	270_G	1.045	1.00
317_F	320_L	1.045	1.00
278_V	282_L	1.043	1.00
115_A	119_R	1.043	1.00
290_S	294_V	1.043	1.00
268_V	271_G	1.041	1.00
256_D	259_S	1.039	1.00
77_R	153_Q	1.039	1.00
297_G	300_D	1.031	1.00
295_V	299_T	1.022	1.00
291_V	295_V	1.021	1.00
180_R	202_R	1.018	1.00
322_D	326_A	1.010	1.00
113_D	116_V	1.002	1.00
236_A	239_A	1.001	1.00
192_A	204_C	1.001	1.00
176_L	180_R	1.001	1.00
254_L	258_T	0.996	1.00
293_P	298_D	0.994	1.00
286_G	317_F	0.991	1.00
251_V	258_T	0.987	1.00
306_R	309_C	0.985	1.00
5_V	59_V	0.984	1.00
322_D	329_T	0.982	1.00
120_A	152_A	0.979	1.00
192_A	203_Y	0.977	1.00
248_A	252_T	0.975	1.00
282_L	317_F	0.974	1.00
92_T	96_V	0.965	1.00
200_A	204_C	0.963	1.00
209_V	224_V	0.959	1.00
95_Q	98_E	0.957	1.00
282_L	286_G	0.950	1.00
315_A	318_T	0.950	1.00
93_V	145_V	0.948	1.00
108_F	111_D	0.947	1.00
18_L	21_V	0.945	1.00
21_V	208_V	0.945	1.00
288_S	291_V	0.939	1.00
39_A	210_V	0.938	1.00
7_G	56_A	0.935	1.00
289_V	310_P	0.935	1.00
116_V	119_R	0.929	1.00
255_P	259_S	0.925	1.00
251_V	255_P	0.924	1.00
239_A	242_T	0.921	1.00
28_G	189_A	0.918	1.00
275_A	279_V	0.916	1.00
231_R	235_D	0.912	1.00
307_V	310_P	0.907	1.00
88_S	96_V	0.905	1.00
272_G	328_A	0.905	1.00
9_D	19_D	0.901	1.00
90_E	133_D	0.898	1.00
234_F	237_R	0.895	1.00
223_S	227_P	0.895	1.00
275_A	327_S	0.889	1.00
206_E	217_D	0.881	1.00
10_V	43_T	0.880	1.00
11_E	56_A	0.876	1.00
192_A	200_A	0.876	1.00
298_D	301_H	0.873	1.00
54_P	59_V	0.872	1.00
280_R	283_V	0.870	1.00
230_I	233_A	0.869	1.00
51_L	86_S	0.867	1.00
274_S	277_P	0.864	1.00
6_T	60_L	0.863	1.00
272_G	275_A	0.863	1.00
25_I	189_A	0.859	1.00
112_T	115_A	0.857	1.00
222_R	226_T	0.857	1.00
87_V	96_V	0.856	1.00
251_V	254_L	0.855	1.00
12_L	52_I	0.854	1.00
9_D	16_R	0.850	1.00
268_V	327_S	0.846	1.00
321_E	324_T	0.845	1.00
169_V	173_I	0.842	1.00
179_V	203_Y	0.842	1.00
282_L	316_P	0.839	1.00
34_V	209_V	0.836	1.00
313_S	317_F	0.835	1.00
236_A	241_G	0.833	1.00
8_L	59_V	0.825	1.00
261_A	265_S	0.825	1.00
271_G	274_S	0.825	1.00
223_S	226_T	0.824	1.00
283_V	317_F	0.820	0.99
175_T	178_V	0.815	0.99
284_S	287_A	0.815	0.99
225_L	228_D	0.813	0.99
277_P	281_R	0.807	0.99
293_P	307_V	0.804	0.99
210_V	215_V	0.804	0.99
93_V	99_M	0.801	0.99
64_D	76_R	0.800	0.99
93_V	134_V	0.800	0.99
290_S	293_P	0.799	0.99
98_E	117_V	0.799	0.99
268_V	272_G	0.796	0.99
194_I	200_A	0.795	0.99
225_L	229_T	0.795	0.99
279_V	321_E	0.791	0.99
172_Q	196_D	0.791	0.99
312_T	315_A	0.789	0.99
133_D	136_S	0.787	0.99
252_T	258_T	0.786	0.99
49_N	80_T	0.784	0.99
306_R	310_P	0.777	0.99
230_I	234_F	0.775	0.99
209_V	228_D	0.775	0.99
318_T	325_A	0.774	0.99
233_A	237_R	0.770	0.99
276_T	280_R	0.770	0.99
273_D	277_P	0.769	0.99
177_E	180_R	0.766	0.99
283_V	287_A	0.766	0.99
120_A	148_A	0.764	0.99
276_T	328_A	0.759	0.99
251_V	259_S	0.757	0.99
48_M	191_V	0.751	0.99
260_A	263_D	0.750	0.99
285_A	289_V	0.749	0.99
254_L	259_S	0.746	0.99
266_V	272_G	0.746	0.99
97_V	117_V	0.745	0.99
253_P	260_A	0.744	0.99
317_F	321_E	0.740	0.99
95_Q	131_A	0.738	0.99
300_D	304_A	0.737	0.99
50_G	61_V	0.736	0.99
109_G	113_D	0.736	0.99
293_P	299_T	0.734	0.99
177_E	181_D	0.733	0.99
8_L	18_L	0.731	0.99
300_D	303_T	0.726	0.99
98_E	102_H	0.725	0.99
311_C	314_V	0.724	0.99
221_P	225_L	0.724	0.99
10_V	18_L	0.722	0.99
49_N	78_I	0.720	0.99
232_A	235_D	0.719	0.99
276_T	279_V	0.716	0.99
34_V	207_L	0.715	0.99
47_A	53_T	0.713	0.99
192_A	199_L	0.711	0.99
42_S	46_R	0.708	0.99
247_G	250_T	0.706	0.98
266_V	273_D	0.702	0.98
235_D	238_V	0.700	0.98
268_V	276_T	0.692	0.98
174_R	178_V	0.691	0.98
269_V	272_G	0.687	0.98
160_L	190_V	0.682	0.98
262_A	266_V	0.682	0.98
155_A	186_E	0.681	0.98
60_L	63_G	0.681	0.98
249_V	253_P	0.679	0.98
296_E	300_D	0.679	0.98
94_R	131_A	0.678	0.98
213_G	216_H	0.678	0.98
3_L	61_V	0.676	0.98
29_H	205_D	0.676	0.98
252_T	259_S	0.676	0.98
259_S	265_S	0.674	0.98
81_V	143_Q	0.674	0.98
198_D	202_R	0.673	0.98
270_G	276_T	0.673	0.98
78_I	157_V	0.670	0.98
194_I	199_L	0.667	0.98
318_T	324_T	0.665	0.98
121_M	124_T	0.664	0.98
94_R	130_A	0.664	0.98
226_T	229_T	0.664	0.98
236_A	240_V	0.664	0.98
111_D	114_T	0.663	0.98
245_A	249_V	0.663	0.98
248_A	253_P	0.662	0.98
173_I	176_L	0.662	0.98
101_R	152_A	0.662	0.98
89_F	142_R	0.661	0.98
120_A	123_R	0.661	0.98
234_F	238_V	0.661	0.98
81_V	150_A	0.660	0.98
108_F	113_D	0.660	0.98
25_I	191_V	0.659	0.98
252_T	256_D	0.657	0.98
265_S	269_V	0.654	0.98
266_V	276_T	0.654	0.98
118_D	122_A	0.653	0.97
286_G	289_V	0.649	0.97
157_V	191_V	0.648	0.97
246_T	249_V	0.644	0.97
243_D	246_T	0.644	0.97
124_T	148_A	0.641	0.97
264_T	268_V	0.640	0.97
25_I	157_V	0.640	0.97
253_P	259_S	0.639	0.97
289_V	292_G	0.639	0.97
246_T	250_T	0.638	0.97
294_V	299_T	0.637	0.97
162_E	195_H	0.636	0.97
296_E	303_T	0.635	0.97
298_D	302_E	0.633	0.97
119_R	123_R	0.633	0.97
298_D	304_A	0.630	0.97
7_G	10_V	0.629	0.97
231_R	237_R	0.627	0.97
296_E	306_R	0.627	0.97
94_R	117_V	0.625	0.97
237_R	240_V	0.622	0.97
146_L	151_L	0.621	0.97
243_D	247_G	0.621	0.97
258_T	262_A	0.620	0.97
250_T	253_P	0.620	0.97
282_L	285_A	0.618	0.96
292_G	309_C	0.617	0.96
291_V	294_V	0.616	0.96
238_V	244_P	0.611	0.96
124_T	141_E	0.611	0.96
10_V	13_A	0.610	0.96
211_A	214_R	0.607	0.96
264_T	267_H	0.607	0.96
243_D	248_A	0.606	0.96
145_V	171_H	0.605	0.96
165_A	197_L	0.605	0.96
271_G	278_V	0.598	0.96
231_R	238_V	0.596	0.96
296_E	302_E	0.595	0.96
301_H	305_R	0.594	0.96
289_V	309_C	0.591	0.95
253_P	257_R	0.591	0.95
224_V	228_D	0.589	0.95
252_T	260_A	0.588	0.95
125_G	128_Q	0.588	0.95
242_T	246_T	0.587	0.95
293_P	296_E	0.586	0.95
296_E	301_H	0.585	0.95
228_D	231_R	0.584	0.95
118_D	130_A	0.582	0.95
272_G	279_V	0.582	0.95
97_V	148_A	0.577	0.95
258_T	261_A	0.576	0.95
248_A	255_P	0.575	0.95
61_V	76_R	0.574	0.95
304_A	308_G	0.574	0.95
118_D	126_V	0.573	0.95
211_A	216_H	0.573	0.95
292_G	302_E	0.568	0.94
233_A	240_V	0.566	0.94
259_S	263_D	0.564	0.94
283_V	321_E	0.561	0.94
286_G	293_P	0.559	0.94
281_R	284_S	0.559	0.94
310_P	313_S	0.558	0.94
265_S	268_V	0.557	0.94
240_V	247_G	0.555	0.94
250_T	259_S	0.554	0.94
172_Q	180_R	0.553	0.94
51_L	82_P	0.549	0.93
287_A	290_S	0.547	0.93
37_N	165_A	0.546	0.93
233_A	236_A	0.545	0.93
244_P	247_G	0.545	0.93
260_A	265_S	0.545	0.93
41_K	162_E	0.544	0.93
29_H	189_A	0.544	0.93
96_V	100_G	0.543	0.93
279_V	282_L	0.542	0.93
130_A	133_D	0.542	0.93
283_V	286_G	0.541	0.93
247_G	252_T	0.541	0.93
268_V	273_D	0.538	0.93
93_V	137_L	0.537	0.93
229_T	233_A	0.536	0.93
113_D	118_D	0.535	0.92
172_Q	175_T	0.535	0.92
50_G	53_T	0.535	0.92
263_D	266_V	0.533	0.92
93_V	210_V	0.532	0.92
204_C	207_L	0.531	0.92
251_V	315_A	0.531	0.92
156_P	188_R	0.530	0.92
325_A	328_A	0.530	0.92
288_S	309_C	0.529	0.92
238_V	241_G	0.524	0.92
19_D	212_D	0.522	0.92
8_L	56_A	0.522	0.92
324_T	328_A	0.522	0.92
81_V	146_L	0.519	0.91
144_R	167_L	0.519	0.91
117_V	120_A	0.519	0.91
163_P	195_H	0.518	0.91
119_R	122_A	0.517	0.91
114_T	118_D	0.517	0.91
253_P	258_T	0.513	0.91
247_G	251_V	0.513	0.91
173_I	177_E	0.512	0.91
233_A	242_T	0.510	0.91
146_L	149_R	0.510	0.91
247_G	257_R	0.506	0.90
108_F	112_T	0.506	0.90
92_T	131_A	0.506	0.90
21_V	215_V	0.506	0.90
244_P	249_V	0.505	0.90
96_V	99_M	0.503	0.90
213_G	218_A	0.503	0.90
97_V	101_R	0.502	0.90
244_P	248_A	0.502	0.90
116_V	154_A	0.501	0.90
93_V	96_V	0.501	0.90
255_P	262_A	0.500	0.90
31_V	215_V	0.500	0.90

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
4ry2A	2	0.5955	100	0.291	Contact Map
4f4cA	1	0.5628	100	0.296	Contact Map
3tuiC	2	0.8191	100	0.316	Contact Map
4mrsA	2	0.6156	100	0.316	Contact Map
4q9hA	1	0.5955	100	0.318	Contact Map
4yerA	2	0.706	100	0.321	Contact Map
4a82A	2	0.593	100	0.321	Contact Map
3b5xA	2	0.593	100	0.322	Contact Map
4mkiB	2	0.6859	100	0.325	Contact Map
3b60A	2	0.593	100	0.327	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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