Q9HQF7 - HALSA - GREMLIN Contacts

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Q9HQF7 - Heme biosynthesis protein

UniProt:	Q9HQF7	Sequences: MVRDDLEELIAYADDNGIRPVLSTNGTLITAERAAAMKDAGLKYAGISVDGLPERNDEFRGEEGAFDAAVRGIENSLDAGLKTGLRYTITEANAPDLPEVVDLLHDVGLDRFCFYHLDYGGRGADISNLDLSPADTRTAVRTVCDLTREYHAQGKEIETLLVGNYADAGFLVEYAREELGDQQADHIYRYLEANGGDPTGERIADVDYQGNVHMTQFWQGYSLGNVRDRSFGDIWSDDTNPLLAGLRDRDDRLTGRCASCQYRSICRGGSRLRALSAGGPFDPDPKCYLTEAEREPERTGDASAD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	305 (261)
Sequences:	5943 (4644)
Seq/√Len:	287.4

ECOLI - ASLB YDEM MOAA
BACSU - ALBA SKFB MOAA YYDG
HALSA - Q9HQF7 Q9HQF5 MOAA
SULSO - Q97XA7 Q97XS7 Q97XZ2 Q7LXV3 Q97XS8 Q97XA6 Q97Y04 Q97WC3 Q97WK5 MOAA Q980E0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
53_P	67_D	5.399	1.00
57_D	64_G	3.465	1.00
211_N	225_N	3.423	1.00
31_A	75_N	3.323	1.00
35_A	79_A	3.042	1.00
74_E	107_V	2.891	1.00
66_F	103_L	2.856	1.00
211_N	222_S	2.623	1.00
50_D	60_R	2.581	1.00
197_D	215_T	2.540	1.00
230_S	233_D	2.513	1.00
96_D	99_E	2.445	1.00
52_L	55_R	2.379	1.00
98_P	142_T	2.318	1.00
7_E	36_A	2.300	1.00
31_A	78_D	2.239	1.00
215_T	270_S	2.194	1.00
229_R	233_D	2.180	1.00
52_L	96_D	2.162	1.00
31_A	79_A	2.040	1.00
75_N	78_D	2.031	1.00
225_N	228_D	2.029	1.00
12_Y	15_D	2.026	1.00
26_G	47_I	1.999	1.00
47_I	73_I	1.961	1.00
35_A	39_D	1.954	1.00
102_D	146_L	1.952	1.00
30_T	33_R	1.933	1.00
55_R	96_D	1.921	1.00
36_A	40_A	1.912	1.00
207_D	211_N	1.822	1.00
91_E	135_D	1.797	1.00
53_P	57_D	1.756	1.00
102_D	106_D	1.747	1.00
58_E	92_A	1.747	1.00
85_L	104_L	1.744	1.00
34_A	75_N	1.734	1.00
38_K	79_A	1.714	1.00
7_E	33_R	1.701	1.00
68_A	71_R	1.694	1.00
74_E	78_D	1.676	1.00
132_S	135_D	1.670	1.00
70_V	107_V	1.668	1.00
12_Y	16_N	1.655	1.00
29_I	34_A	1.643	1.00
87_Y	100_V	1.642	1.00
56_N	65_A	1.635	1.00
71_R	74_E	1.617	1.00
53_P	66_F	1.607	1.00
99_E	102_D	1.603	1.00
11_A	36_A	1.602	1.00
233_D	237_D	1.589	1.00
212_V	234_I	1.589	1.00
45_A	76_S	1.575	1.00
11_A	15_D	1.574	1.00
69_A	72_G	1.564	1.00
103_L	107_V	1.563	1.00
47_I	72_G	1.560	1.00
197_D	270_S	1.560	1.00
71_R	75_N	1.477	1.00
74_E	77_L	1.469	1.00
138_T	142_T	1.466	1.00
235_W	247_R	1.454	1.00
67_D	71_R	1.441	1.00
85_L	109_L	1.434	1.00
87_Y	112_F	1.431	1.00
207_D	213_H	1.421	1.00
23_S	46_G	1.411	1.00
254_T	280_P	1.380	1.00
59_F	90_T	1.373	1.00
13_A	20_P	1.371	1.00
77_L	108_G	1.370	1.00
22_L	37_M	1.367	1.00
141_R	145_D	1.365	1.00
57_D	60_R	1.361	1.00
33_R	37_M	1.349	1.00
51_G	66_F	1.347	1.00
137_R	141_R	1.337	1.00
34_A	72_G	1.303	1.00
213_H	222_S	1.292	1.00
68_A	72_G	1.286	1.00
51_G	55_R	1.279	1.00
52_L	99_E	1.273	1.00
34_A	79_A	1.263	1.00
155_K	159_T	1.254	1.00
98_P	146_L	1.250	1.00
232_G	236_S	1.248	1.00
49_V	85_L	1.242	1.00
56_N	66_F	1.233	1.00
27_T	72_G	1.229	1.00
146_L	149_E	1.227	1.00
138_T	141_R	1.217	1.00
255_G	258_A	1.215	1.00
46_G	86_R	1.206	1.00
70_V	103_L	1.200	1.00
256_R	283_P	1.191	1.00
75_N	79_A	1.186	1.00
56_N	64_G	1.185	1.00
70_V	74_E	1.184	1.00
36_A	39_D	1.182	1.00
32_E	35_A	1.166	1.00
72_G	75_N	1.164	1.00
56_N	69_A	1.159	1.00
66_F	70_V	1.159	1.00
8_E	11_A	1.159	1.00
48_S	88_T	1.157	1.00
194_N	197_D	1.154	1.00
241_P	245_G	1.150	1.00
51_G	60_R	1.143	1.00
204_A	231_F	1.142	1.00
142_T	145_D	1.134	1.00
25_N	28_L	1.131	1.00
29_I	72_G	1.126	1.00
33_R	36_A	1.116	1.00
134_A	138_T	1.110	1.00
6_L	10_I	1.101	1.00
11_A	40_A	1.092	1.00
229_R	237_D	1.086	1.00
14_D	40_A	1.085	1.00
8_E	12_Y	1.082	1.00
135_D	138_T	1.076	1.00
10_I	42_L	1.074	1.00
223_L	243_L	1.072	1.00
38_K	80_G	1.071	1.00
159_T	163_G	1.067	1.00
47_I	76_S	1.066	1.00
57_D	65_A	1.063	1.00
224_G	234_I	1.063	1.00
104_L	109_L	1.046	1.00
31_A	35_A	1.040	1.00
52_L	103_L	1.020	1.00
242_L	245_G	1.015	1.00
76_S	81_L	0.987	1.00
102_D	105_H	0.984	1.00
243_L	247_R	0.983	1.00
146_L	150_Y	0.981	1.00
271_R	274_A	0.981	1.00
29_I	37_M	0.980	1.00
73_I	83_T	0.979	1.00
10_I	40_A	0.978	1.00
34_A	38_K	0.974	1.00
45_A	81_L	0.968	1.00
97_L	142_T	0.965	1.00
23_S	216_Q	0.962	1.00
32_E	36_A	0.961	1.00
218_W	272_L	0.959	1.00
245_G	248_D	0.959	1.00
23_S	86_R	0.954	1.00
101_V	105_H	0.952	1.00
54_E	58_E	0.951	1.00
241_P	244_A	0.949	1.00
257_C	260_C	0.949	1.00
256_R	284_D	0.943	1.00
30_T	72_G	0.940	1.00
20_P	42_L	0.931	1.00
77_L	110_D	0.926	1.00
73_I	85_L	0.926	1.00
212_V	231_F	0.923	1.00
51_G	96_D	0.919	1.00
76_S	83_T	0.913	1.00
231_F	235_W	0.910	1.00
204_A	235_W	0.906	1.00
254_T	283_P	0.904	1.00
77_L	109_L	0.903	1.00
95_P	135_D	0.902	1.00
224_G	229_R	0.901	1.00
255_G	259_S	0.900	1.00
105_H	150_Y	0.899	1.00
206_V	212_V	0.889	1.00
157_I	161_L	0.883	1.00
56_N	60_R	0.882	1.00
46_G	84_G	0.873	1.00
14_D	20_P	0.871	1.00
48_S	60_R	0.868	1.00
77_L	83_T	0.853	1.00
210_G	226_V	0.850	1.00
22_L	45_A	0.845	1.00
244_A	248_D	0.843	1.00
28_L	72_G	0.837	1.00
254_T	282_D	0.835	1.00
253_L	263_R	0.824	1.00
88_T	117_L	0.822	1.00
51_G	56_N	0.820	1.00
100_V	104_L	0.819	1.00
86_R	115_Y	0.815	1.00
205_D	216_Q	0.815	1.00
38_K	81_L	0.809	0.99
222_S	225_N	0.809	0.99
82_K	110_D	0.809	0.99
50_D	56_N	0.808	0.99
86_R	216_Q	0.806	0.99
29_I	76_S	0.805	0.99
269_G	284_D	0.803	0.99
17_G	20_P	0.799	0.99
98_P	145_D	0.798	0.99
49_V	70_V	0.796	0.99
262_Y	291_E	0.795	0.99
65_A	69_A	0.794	0.99
44_Y	84_G	0.793	0.99
60_R	64_G	0.793	0.99
13_A	16_N	0.791	0.99
282_D	285_P	0.789	0.99
101_V	112_F	0.785	0.99
53_P	64_G	0.783	0.99
257_C	266_C	0.778	0.99
103_L	106_D	0.778	0.99
34_A	76_S	0.773	0.99
142_T	146_L	0.763	0.99
237_D	241_P	0.758	0.99
101_V	150_Y	0.756	0.99
97_L	114_F	0.756	0.99
104_L	112_F	0.755	0.99
123_G	126_I	0.753	0.99
161_L	164_N	0.747	0.99
91_E	132_S	0.746	0.99
49_V	69_A	0.746	0.99
117_L	123_G	0.746	0.99
219_Q	222_S	0.746	0.99
60_R	65_A	0.745	0.99
83_T	109_L	0.745	0.99
191_L	197_D	0.745	0.99
7_E	10_I	0.745	0.99
94_A	135_D	0.744	0.99
136_T	140_V	0.743	0.99
34_A	81_L	0.738	0.99
23_S	217_F	0.737	0.99
278_G	282_D	0.731	0.99
157_I	163_G	0.731	0.99
49_V	66_F	0.731	0.99
73_I	109_L	0.730	0.99
27_T	68_A	0.729	0.99
7_E	40_A	0.729	0.99
263_R	267_R	0.724	0.99
67_D	70_V	0.723	0.99
221_Y	275_L	0.722	0.99
193_A	196_G	0.720	0.99
55_R	58_E	0.719	0.99
120_G	123_G	0.718	0.99
261_Q	291_E	0.718	0.99
156_E	159_T	0.714	0.99
278_G	283_P	0.710	0.99
87_Y	104_L	0.707	0.99
48_S	86_R	0.707	0.99
90_T	93_N	0.707	0.99
230_S	234_I	0.706	0.99
260_C	287_C	0.705	0.99
158_E	162_V	0.704	0.99
85_L	112_F	0.702	0.99
9_L	13_A	0.702	0.99
210_G	225_N	0.701	0.99
257_C	287_C	0.699	0.99
197_D	200_G	0.698	0.99
214_M	223_L	0.697	0.98
145_D	148_R	0.687	0.98
144_C	148_R	0.687	0.98
10_I	20_P	0.682	0.98
151_H	155_K	0.679	0.98
77_L	107_V	0.679	0.98
95_P	138_T	0.677	0.98
260_C	266_C	0.674	0.98
31_A	34_A	0.672	0.98
144_C	147_T	0.671	0.98
95_P	98_P	0.667	0.98
89_I	97_L	0.667	0.98
157_I	160_L	0.663	0.98
191_L	194_N	0.659	0.98
145_D	149_E	0.656	0.98
156_E	160_L	0.652	0.98
143_V	147_T	0.652	0.98
256_R	291_E	0.651	0.98
34_A	37_M	0.651	0.98
229_R	234_I	0.649	0.98
37_M	40_A	0.649	0.98
184_A	187_I	0.644	0.97
121_G	124_A	0.642	0.97
72_G	76_S	0.641	0.97
57_D	66_F	0.640	0.97
13_A	18_I	0.638	0.97
207_D	216_Q	0.634	0.97
54_E	99_E	0.634	0.97
126_I	129_L	0.633	0.97
159_T	162_V	0.632	0.97
7_E	11_A	0.631	0.97
94_A	138_T	0.630	0.97
274_A	285_P	0.629	0.97
84_G	111_R	0.629	0.97
160_L	163_G	0.628	0.97
131_L	135_D	0.628	0.97
14_D	41_G	0.627	0.97
57_D	67_D	0.626	0.97
115_Y	118_D	0.625	0.97
247_R	250_D	0.625	0.97
183_Q	187_I	0.624	0.97
76_S	79_A	0.622	0.97
227_R	230_S	0.621	0.97
269_G	274_A	0.620	0.97
269_G	273_R	0.618	0.97
214_M	218_W	0.616	0.97
73_I	107_V	0.615	0.97
50_D	88_T	0.615	0.97
203_I	216_Q	0.614	0.97
214_M	246_L	0.611	0.97
266_C	287_C	0.611	0.97
147_T	150_Y	0.611	0.97
237_D	243_L	0.608	0.96
96_D	100_V	0.606	0.96
88_T	115_Y	0.603	0.96
233_D	236_S	0.599	0.96
218_W	221_Y	0.598	0.96
14_D	39_D	0.596	0.96
134_A	137_R	0.593	0.96
72_G	79_A	0.592	0.96
26_G	72_G	0.591	0.96
143_V	146_L	0.591	0.96
284_D	290_T	0.587	0.96
155_K	158_E	0.586	0.96
214_M	221_Y	0.581	0.95
68_A	75_N	0.579	0.95
52_L	66_F	0.578	0.95
60_R	88_T	0.577	0.95
277_A	281_F	0.576	0.95
29_I	33_R	0.574	0.95
49_V	100_V	0.572	0.95
206_V	226_V	0.569	0.95
51_G	90_T	0.569	0.95
246_L	250_D	0.568	0.95
273_R	284_D	0.568	0.95
57_D	63_E	0.567	0.95
38_K	41_G	0.562	0.95
46_G	216_Q	0.562	0.95
121_G	125_D	0.561	0.95
158_E	163_G	0.560	0.94
10_I	13_A	0.560	0.94
24_T	47_I	0.559	0.94
141_R	144_C	0.559	0.94
237_D	244_A	0.558	0.94
31_A	71_R	0.558	0.94
97_L	139_A	0.557	0.94
92_A	129_L	0.557	0.94
214_M	217_F	0.554	0.94
275_L	278_G	0.554	0.94
133_P	137_R	0.554	0.94
87_Y	114_F	0.553	0.94
196_G	200_G	0.552	0.94
101_V	143_V	0.551	0.94
204_A	208_Y	0.547	0.94
50_D	69_A	0.546	0.94
274_A	284_D	0.545	0.94
73_I	76_S	0.544	0.94
119_Y	123_G	0.544	0.94
192_E	198_P	0.543	0.94
133_P	288_Y	0.542	0.93
130_D	136_T	0.542	0.93
190_Y	193_A	0.542	0.93
90_T	129_L	0.541	0.93
97_L	101_V	0.541	0.93
45_A	72_G	0.540	0.93
71_R	78_D	0.539	0.93
278_G	281_F	0.539	0.93
112_F	116_H	0.538	0.93
51_G	57_D	0.536	0.93
98_P	101_V	0.535	0.93
136_T	139_A	0.531	0.93
39_D	227_R	0.529	0.93
237_D	242_L	0.528	0.93
21_V	44_Y	0.526	0.92
147_T	151_H	0.522	0.92
35_A	38_K	0.522	0.92
34_A	45_A	0.520	0.92
23_S	203_I	0.520	0.92
225_N	230_S	0.519	0.92
262_Y	265_I	0.517	0.92
101_V	146_L	0.515	0.92
156_E	162_V	0.514	0.92
56_N	59_F	0.514	0.92
89_I	139_A	0.514	0.92
184_A	190_Y	0.512	0.91
195_G	198_P	0.512	0.91
119_Y	122_R	0.511	0.91
27_T	64_G	0.510	0.91
284_D	288_Y	0.509	0.91
77_L	80_G	0.509	0.91
7_E	13_A	0.508	0.91
214_M	243_L	0.508	0.91
199_T	215_T	0.507	0.91
255_G	283_P	0.505	0.91
221_Y	242_L	0.504	0.91
111_R	158_E	0.501	0.91
76_S	80_G	0.501	0.91
194_N	200_G	0.501	0.91
213_H	223_L	0.500	0.90
26_G	45_A	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
4k36A	1	0.9213	100	0.315	Contact Map
1tv8A	2	0.7541	99.9	0.583	Contact Map
4m7tA	1	0.5672	99.9	0.584	Contact Map
4rtbA	2	0.7967	99.9	0.607	Contact Map
4wcxA	1	0.8689	99.8	0.66	Contact Map
3canA	2	0.4623	99.8	0.664	Contact Map
3c8fA	1	0.4885	99.7	0.689	Contact Map
2yx0A	1	0.5738	99.7	0.7	Contact Map
2z2uA	1	0.5016	99.6	0.722	Contact Map
2qgqA	1	0.682	99.5	0.734	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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