PURR - ECOLI - GREMLIN Contacts

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PURR - HTH-type transcriptional repressor PurR

UniProt:	P0ACP7	Sequences: MATIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLATSSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLERNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRSVADGPFRDYRR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10800
Length:	341 (325)
Sequences:	36683 (26666)
Seq/√Len:	1479.2

ECOLI - PURR GALR GALS ASCG CYTR RBSR LACI MALI GNTR IDNR CRA YCJW EBGR TRER TORT YTFQ ALSB RBSB YPHF XYLF ARAF LSRB DGAL XYLR
BACSU - KDGR NTDR CCPA RBSR EXUR DEGA YKVZ MSMR GANR YVDE ARAR CCPB RBSB

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
178_H	241_T	3.485	1.00
163_F	202_K	3.425	1.00
10_R	42_E	3.188	1.00
264_R	267_Q	3.087	1.00
169_A	272_I	2.654	1.00
118_G	305_L	2.587	1.00
276_N	291_H	2.583	1.00
155_T	308_R	2.571	1.00
178_H	270_S	2.496	1.00
197_L	201_M	2.456	1.00
167_Y	206_E	2.351	1.00
227_Y	260_E	2.246	1.00
84_N	87_Q	2.208	1.00
38_A	42_E	2.206	1.00
34_N	38_A	2.188	1.00
30_E	34_N	2.178	1.00
84_N	303_N	2.174	1.00
300_T	303_N	2.082	1.00
167_Y	202_K	2.052	1.00
258_A	269_V	2.049	1.00
80_A	298_G	2.032	1.00
174_I	207_A	2.021	1.00
231_Q	261_M	2.004	1.00
166_G	170_G	1.999	1.00
85_C	302_F	1.997	1.00
226_G	253_G	1.992	1.00
176_R	331_V	1.987	1.00
171_R	175_E	1.969	1.00
165_G	274_Y	1.966	1.00
167_Y	203_A	1.954	1.00
235_S	261_M	1.942	1.00
33_R	37_W	1.916	1.00
164_E	168_M	1.897	1.00
307_D	312_K	1.895	1.00
21_V	36_V	1.894	1.00
171_R	203_A	1.845	1.00
22_I	40_I	1.843	1.00
163_F	198_A	1.832	1.00
231_Q	257_A	1.801	1.00
83_K	295_D	1.786	1.00
166_G	244_F	1.785	1.00
291_H	324_R	1.741	1.00
5_K	15_T	1.740	1.00
173_L	242_A	1.734	1.00
263_L	268_D	1.714	1.00
84_N	299_E	1.712	1.00
167_Y	171_R	1.707	1.00
227_Y	257_A	1.685	1.00
180_E	212_P	1.681	1.00
171_R	207_A	1.656	1.00
63_G	116_V	1.641	1.00
170_G	200_F	1.638	1.00
293_P	296_S	1.626	1.00
11_A	39_A	1.604	1.00
230_M	254_A	1.600	1.00
80_A	295_D	1.594	1.00
168_M	323_P	1.594	1.00
264_R	268_D	1.581	1.00
21_V	40_I	1.550	1.00
230_M	243_V	1.540	1.00
183_V	246_G	1.539	1.00
276_N	328_R	1.531	1.00
182_G	240_P	1.529	1.00
286_A	329_R	1.526	1.00
10_R	39_A	1.514	1.00
145_M	301_A	1.501	1.00
300_T	319_I	1.498	1.00
198_A	202_K	1.492	1.00
160_D	164_E	1.491	1.00
245_C	254_A	1.487	1.00
7_V	39_A	1.485	1.00
37_W	41_K	1.471	1.00
180_E	239_R	1.471	1.00
84_N	88_K	1.466	1.00
172_Y	176_R	1.456	1.00
174_I	203_A	1.452	1.00
170_G	174_I	1.449	1.00
257_A	261_M	1.441	1.00
164_E	167_Y	1.439	1.00
84_N	302_F	1.434	1.00
259_D	284_T	1.426	1.00
37_W	40_I	1.414	1.00
88_K	306_L	1.397	1.00
170_G	199_G	1.391	1.00
217_V	232_Q	1.390	1.00
296_S	300_T	1.390	1.00
165_G	323_P	1.390	1.00
231_Q	260_E	1.388	1.00
195_G	198_A	1.376	1.00
166_G	199_G	1.372	1.00
272_I	288_T	1.371	1.00
296_S	299_E	1.357	1.00
172_Y	175_E	1.355	1.00
201_M	205_E	1.349	1.00
178_H	242_A	1.347	1.00
7_V	11_A	1.344	1.00
257_A	260_E	1.342	1.00
258_A	263_L	1.338	1.00
62_I	85_C	1.316	1.00
63_G	111_M	1.315	1.00
182_G	233_I	1.314	1.00
60_K	117_D	1.307	1.00
170_G	203_A	1.307	1.00
172_Y	331_V	1.305	1.00
227_Y	256_C	1.300	1.00
212_P	215_W	1.298	1.00
303_N	307_D	1.296	1.00
172_Y	327_E	1.294	1.00
199_G	203_A	1.285	1.00
227_Y	231_Q	1.269	1.00
132_A	136_E	1.268	1.00
180_E	241_T	1.260	1.00
60_K	90_Y	1.258	1.00
64_L	81_V	1.245	1.00
29_A	32_T	1.240	1.00
171_R	206_E	1.236	1.00
6_D	9_K	1.231	1.00
230_M	258_A	1.231	1.00
95_G	111_M	1.221	1.00
85_C	92_L	1.220	1.00
255_L	271_L	1.216	1.00
39_A	43_L	1.215	1.00
306_L	310_V	1.211	1.00
30_E	33_R	1.210	1.00
20_H	25_T	1.209	1.00
220_D	225_S	1.208	1.00
184_I	254_A	1.204	1.00
237_P	240_P	1.199	1.00
5_K	9_K	1.196	1.00
203_A	206_E	1.192	1.00
10_R	43_L	1.190	1.00
253_G	257_A	1.183	1.00
120_L	301_A	1.181	1.00
7_V	43_L	1.178	1.00
81_V	120_L	1.177	1.00
179_R	241_T	1.169	1.00
109_S	133_M	1.167	1.00
248_D	289_T	1.161	1.00
270_S	331_V	1.155	1.00
81_V	302_F	1.155	1.00
163_F	195_G	1.153	1.00
95_G	107_Y	1.151	1.00
168_M	171_R	1.149	1.00
200_F	204_M	1.148	1.00
4_I	18_V	1.145	1.00
232_Q	236_Q	1.138	1.00
163_F	167_Y	1.137	1.00
231_Q	235_S	1.132	1.00
35_A	39_A	1.120	1.00
224_E	228_R	1.107	1.00
64_L	92_L	1.105	1.00
243_V	254_A	1.102	1.00
39_A	42_E	1.099	1.00
4_I	15_T	1.094	1.00
48_S	54_L	1.087	1.00
226_G	230_M	1.084	1.00
181_I	204_M	1.083	1.00
202_K	206_E	1.079	1.00
248_D	273_G	1.078	1.00
163_F	199_G	1.073	1.00
174_I	209_I	1.071	1.00
295_D	299_E	1.070	1.00
32_T	35_A	1.067	1.00
82_E	86_F	1.064	1.00
169_A	244_F	1.059	1.00
88_K	303_N	1.056	1.00
175_E	207_A	1.051	1.00
176_R	327_E	1.049	1.00
228_R	232_Q	1.046	1.00
204_M	209_I	1.044	1.00
298_G	302_F	1.041	1.00
183_V	197_L	1.040	1.00
176_R	270_S	1.039	1.00
48_S	51_A	1.034	1.00
200_F	244_F	1.032	1.00
38_A	41_K	1.030	1.00
21_V	28_V	1.026	1.00
304_M	319_I	1.026	1.00
300_T	304_M	1.008	1.00
180_E	238_H	1.006	1.00
105_R	109_S	0.999	1.00
255_L	265_V	0.998	1.00
293_P	321_V	0.994	1.00
61_S	91_T	0.990	1.00
222_E	225_S	0.990	1.00
245_C	251_A	0.984	1.00
186_G	221_F	0.981	1.00
24_K	33_R	0.979	1.00
217_V	229_A	0.977	1.00
40_I	43_L	0.972	1.00
34_N	37_W	0.972	1.00
83_K	299_E	0.971	1.00
203_A	207_A	0.966	1.00
88_K	310_V	0.965	1.00
273_G	289_T	0.964	1.00
50_V	53_S	0.963	1.00
181_I	242_A	0.958	1.00
219_G	250_M	0.953	1.00
61_S	93_I	0.946	1.00
103_K	106_A	0.944	1.00
245_C	250_M	0.941	1.00
86_F	103_K	0.940	1.00
51_A	54_L	0.938	1.00
64_L	78_I	0.934	1.00
188_L	218_Q	0.931	1.00
169_A	290_I	0.931	1.00
299_E	303_N	0.929	1.00
159_I	293_P	0.927	1.00
198_A	201_M	0.926	1.00
189_E	194_A	0.925	1.00
255_L	283_F	0.924	1.00
305_L	309_I	0.922	1.00
300_T	321_V	0.921	1.00
230_M	234_L	0.920	1.00
87_Q	299_E	0.919	1.00
172_Y	288_T	0.916	1.00
229_A	232_Q	0.910	1.00
194_A	198_A	0.907	1.00
225_S	228_R	0.906	1.00
90_Y	306_L	0.905	1.00
81_V	298_G	0.905	1.00
160_D	320_E	0.902	1.00
47_P	52_R	0.897	1.00
109_S	113_Q	0.895	1.00
120_L	305_L	0.889	1.00
11_A	18_V	0.883	1.00
170_G	204_M	0.883	1.00
223_P	256_C	0.882	1.00
248_D	276_N	0.881	1.00
258_A	271_L	0.870	1.00
59_T	117_D	0.868	1.00
248_D	251_A	0.865	1.00
157_A	304_M	0.859	1.00
180_E	215_W	0.856	1.00
234_L	257_A	0.856	1.00
79_E	83_K	0.853	1.00
275_D	292_Q	0.853	1.00
324_R	327_E	0.851	1.00
62_I	120_L	0.850	1.00
291_H	326_I	0.849	1.00
159_I	292_Q	0.844	1.00
327_E	331_V	0.840	1.00
164_E	322_H	0.840	1.00
182_G	243_V	0.839	1.00
155_T	317_Q	0.837	1.00
191_N	195_G	0.834	1.00
263_L	269_V	0.831	1.00
228_R	231_Q	0.829	1.00
259_D	286_A	0.826	1.00
164_E	323_P	0.825	1.00
159_I	323_P	0.822	1.00
156_D	318_S	0.819	1.00
81_V	92_L	0.816	1.00
128_E	132_A	0.815	1.00
118_G	309_I	0.813	1.00
155_T	304_M	0.812	1.00
24_K	37_W	0.812	1.00
252_M	283_F	0.810	1.00
174_I	179_R	0.809	1.00
239_R	263_L	0.805	1.00
241_T	270_S	0.805	1.00
73_Y	294_K	0.802	1.00
31_E	34_N	0.801	1.00
172_Y	325_L	0.798	1.00
80_A	299_E	0.796	1.00
76_E	295_D	0.795	1.00
201_M	211_V	0.794	1.00
17_T	20_H	0.793	1.00
215_W	236_Q	0.793	1.00
21_V	37_W	0.792	1.00
197_L	216_I	0.792	1.00
293_P	324_R	0.792	1.00
183_V	244_F	0.791	1.00
202_K	205_E	0.787	1.00
276_N	326_I	0.785	1.00
67_T	74_F	0.782	1.00
161_N	196_R	0.781	1.00
160_D	322_H	0.780	1.00
225_S	229_A	0.774	1.00
63_G	119_L	0.767	1.00
276_N	280_A	0.766	1.00
243_V	269_V	0.765	1.00
179_R	209_I	0.761	1.00
288_T	331_V	0.760	1.00
31_E	35_A	0.759	1.00
173_L	272_I	0.756	1.00
134_L	142_M	0.756	1.00
230_M	233_I	0.754	1.00
58_H	117_D	0.753	1.00
133_M	136_E	0.752	1.00
158_V	320_E	0.752	1.00
49_A	52_R	0.748	1.00
46_S	113_Q	0.747	1.00
83_K	87_Q	0.746	1.00
78_I	82_E	0.746	1.00
219_G	225_S	0.745	1.00
236_Q	240_P	0.745	1.00
304_M	307_D	0.744	1.00
61_S	114_K	0.743	1.00
204_M	211_V	0.742	1.00
302_F	306_L	0.741	1.00
217_V	233_I	0.738	1.00
100_N	103_K	0.737	1.00
184_I	245_C	0.736	1.00
195_G	199_G	0.735	1.00
77_I	145_M	0.733	1.00
236_Q	239_R	0.733	1.00
20_H	27_F	0.729	1.00
230_M	257_A	0.725	1.00
112_A	140_I	0.722	1.00
106_A	109_S	0.721	1.00
20_H	26_R	0.721	1.00
230_M	253_G	0.720	1.00
13_V	36_V	0.720	1.00
78_I	94_L	0.717	1.00
103_K	107_Y	0.717	1.00
80_A	84_N	0.716	1.00
168_M	290_I	0.713	1.00
118_G	143_V	0.713	1.00
288_T	325_L	0.710	1.00
234_L	261_M	0.710	1.00
79_E	82_E	0.701	1.00
112_A	138_R	0.700	1.00
185_P	197_L	0.700	1.00
244_F	272_I	0.697	1.00
167_Y	199_G	0.695	1.00
58_H	310_V	0.695	1.00
62_I	302_F	0.695	1.00
34_N	41_K	0.692	1.00
256_C	259_D	0.689	1.00
144_V	149_E	0.685	1.00
16_T	20_H	0.684	1.00
132_A	135_E	0.683	1.00
82_E	92_L	0.683	1.00
232_Q	235_S	0.682	1.00
158_V	318_S	0.682	1.00
102_E	106_A	0.679	1.00
146_D	161_N	0.678	1.00
226_G	229_A	0.676	1.00
181_I	200_F	0.676	1.00
174_I	204_M	0.673	1.00
65_L	107_Y	0.673	1.00
148_G	318_S	0.672	1.00
98_W	103_K	0.670	1.00
135_E	154_F	0.668	1.00
307_D	311_N	0.666	1.00
82_E	96_N	0.666	1.00
251_A	273_G	0.661	1.00
295_D	298_G	0.659	1.00
258_A	261_M	0.658	1.00
108_L	119_L	0.658	1.00
120_L	145_M	0.657	1.00
5_K	55_K	0.656	1.00
247_G	275_D	0.655	1.00
97_A	104_Q	0.654	1.00
193_G	221_F	0.654	1.00
143_V	157_A	0.650	1.00
307_D	317_Q	0.649	1.00
18_V	21_V	0.648	1.00
93_I	116_V	0.647	1.00
258_A	265_V	0.646	1.00
27_F	32_T	0.642	1.00
211_V	216_I	0.642	1.00
280_A	289_T	0.639	1.00
71_A	249_I	0.639	1.00
41_K	44_H	0.633	1.00
146_D	192_T	0.632	1.00
186_G	193_G	0.631	1.00
252_M	277_V	0.629	1.00
256_C	286_A	0.629	1.00
181_I	241_T	0.628	1.00
46_S	109_S	0.627	1.00
118_G	301_A	0.625	1.00
173_L	244_F	0.624	1.00
77_I	294_K	0.622	1.00
129_P	132_A	0.617	1.00
161_N	195_G	0.616	1.00
221_F	246_G	0.615	1.00
169_A	242_A	0.614	1.00
80_A	294_K	0.614	1.00
217_V	236_Q	0.613	1.00
90_Y	309_I	0.612	1.00
288_T	327_E	0.612	1.00
35_A	38_A	0.612	1.00
7_V	18_V	0.611	1.00
256_C	260_E	0.610	1.00
21_V	33_R	0.609	1.00
73_Y	77_I	0.608	1.00
285_P	330_S	0.604	1.00
167_Y	170_G	0.603	1.00
201_M	213_E	0.603	1.00
221_F	250_M	0.601	1.00
286_A	328_R	0.600	1.00
272_I	331_V	0.599	1.00
180_E	240_P	0.598	1.00
20_H	28_V	0.598	1.00
297_L	321_V	0.595	1.00
308_R	311_N	0.593	1.00
62_I	90_Y	0.593	1.00
245_C	273_G	0.593	1.00
18_V	40_I	0.591	1.00
155_T	316_P	0.588	1.00
79_E	295_D	0.587	1.00
144_V	154_F	0.587	1.00
240_P	263_L	0.586	1.00
182_G	215_W	0.586	1.00
135_E	142_M	0.585	1.00
85_C	306_L	0.584	1.00
183_V	200_F	0.584	1.00
90_Y	117_D	0.582	1.00
143_V	305_L	0.581	1.00
116_V	119_L	0.581	1.00
244_F	274_Y	0.579	1.00
280_A	287_L	0.577	1.00
168_M	172_Y	0.576	1.00
18_V	36_V	0.575	1.00
76_E	294_K	0.575	1.00
176_R	241_T	0.574	1.00
93_I	114_K	0.574	1.00
135_E	153_D	0.574	1.00
142_M	154_F	0.572	1.00
143_V	308_R	0.571	1.00
130_L	133_M	0.568	1.00
11_A	21_V	0.568	1.00
274_Y	292_Q	0.568	1.00
159_I	165_G	0.568	1.00
71_A	74_F	0.567	1.00
223_P	279_N	0.566	1.00
211_V	214_S	0.565	1.00
247_G	250_M	0.564	1.00
111_M	116_V	0.564	1.00
79_E	98_W	0.560	1.00
223_P	253_G	0.560	1.00
234_L	258_A	0.559	1.00
143_V	304_M	0.559	1.00
224_E	227_Y	0.558	1.00
143_V	301_A	0.556	1.00
25_T	28_V	0.552	1.00
229_A	233_I	0.548	1.00
62_I	118_G	0.547	1.00
105_R	130_L	0.545	1.00
259_D	264_R	0.545	1.00
276_N	281_R	0.544	1.00
225_S	250_M	0.544	1.00
252_M	279_N	0.543	1.00
72_A	249_I	0.542	1.00
62_I	309_I	0.541	1.00
227_Y	253_G	0.540	1.00
13_V	18_V	0.538	1.00
255_L	259_D	0.538	1.00
219_G	226_G	0.536	1.00
46_S	50_V	0.534	1.00
185_P	218_Q	0.534	1.00
13_V	32_T	0.533	1.00
180_E	210_K	0.528	1.00
196_R	292_Q	0.524	1.00
197_L	218_Q	0.524	1.00
281_R	286_A	0.524	1.00
260_E	284_T	0.524	1.00
220_D	250_M	0.523	1.00
157_A	300_T	0.522	1.00
84_N	306_L	0.522	1.00
53_S	56_V	0.522	1.00
304_M	308_R	0.521	1.00
311_N	314_E	0.520	1.00
180_E	237_P	0.519	1.00
283_F	286_A	0.519	1.00
44_H	47_P	0.519	1.00
99_N	147_W	0.518	1.00
193_G	246_G	0.517	1.00
277_V	289_T	0.516	1.00
28_V	33_R	0.516	1.00
308_R	312_K	0.514	1.00
172_Y	272_I	0.513	1.00
256_C	284_T	0.512	1.00
16_T	25_T	0.511	1.00
68_S	79_E	0.511	1.00
24_K	27_F	0.507	1.00
200_F	211_V	0.507	1.00
170_G	207_A	0.506	1.00
159_I	274_Y	0.506	1.00
265_V	268_D	0.505	1.00
254_A	258_A	0.504	1.00
101_L	105_R	0.503	1.00
201_M	216_I	0.503	1.00
227_Y	230_M	0.503	1.00
97_A	107_Y	0.503	1.00
59_T	90_Y	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
1qpzA	2	0.9883	100	0.059	Contact Map
3dbiA	2	0.8094	100	0.06	Contact Map
2hsgA	1	0.9589	100	0.065	Contact Map
2o20A	2	0.8065	100	0.073	Contact Map
4o5aA	2	0.7889	100	0.076	Contact Map
3bilA	2	0.7507	100	0.079	Contact Map
3ctpA	2	0.7771	100	0.081	Contact Map
3kjxA	2	0.9707	100	0.082	Contact Map
3e3mA	2	0.7859	100	0.085	Contact Map
3h5oA	2	0.7918	100	0.087	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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