SIRB - BACSU - GREMLIN Contacts

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SIRB - Sirohydrochlorin ferrochelatase

UniProt:	O34632	Sequences: MKQAILYVGHGSRVKKAQQEAAAFLEGCKAHISVPVQEISFLELQEPTIETGFEACVKQGATHIAVVPLLLLTAAHAKHDIPEEIVRVASRYPSVRISYGKPIGIDEEVVKAVYHRMKDIGVPYENARVVLIGRGSSDPDVKRDVTGIANLLQEMVPVKEVIPCFLTACGPNYKEVFSELEKDDGITTFIVPYLLFTGMLMNEIEREVQKLKAHNPNVYLSSYIGFHPHVKNAFLNRVRETAANSEGQFDFDGGSYASAAH	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	261 (231)
Sequences:	1693 (1115)
Seq/√Len:	73.3

BACSU - SIRB
HALSA - Q9HPL9 CBIX

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
12_S	17_A	4.554	1.00
115_H	229_H	3.760	1.00
7_Y	25_L	3.563	1.00
31_H	232_N	3.463	1.00
78_K	138_D	3.373	1.00
63_H	96_R	3.245	1.00
5_I	238_V	3.170	1.00
115_H	227_H	3.043	1.00
22_A	41_F	2.753	1.00
31_H	231_K	2.720	1.00
48_T	51_T	2.670	1.00
111_K	155_M	2.636	1.00
71_L	193_Y	2.623	1.00
113_V	131_L	2.536	1.00
6_L	52_G	2.514	1.00
32_I	239_R	2.382	1.00
38_E	55_A	2.373	1.00
6_L	64_I	2.303	1.00
28_C	234_F	2.214	1.00
8_V	66_V	2.213	1.00
32_I	235_L	2.138	1.00
126_N	186_I	2.112	1.00
27_G	231_K	2.089	1.00
63_H	98_S	2.084	1.00
76_H	80_D	2.028	1.00
127_A	187_T	1.979	1.00
32_I	35_P	1.939	1.00
108_E	236_N	1.935	1.00
3_Q	238_V	1.908	1.00
78_K	140_D	1.894	1.00
66_V	85_I	1.864	1.00
27_G	226_F	1.789	1.00
74_A	200_L	1.774	1.00
10_H	76_H	1.756	1.00
172_N	175_E	1.738	1.00
35_P	235_L	1.731	1.00
27_G	228_P	1.719	1.00
53_F	97_I	1.670	1.00
168_A	171_P	1.657	1.00
13_R	44_L	1.634	1.00
233_A	236_N	1.605	0.99
3_Q	63_H	1.601	0.99
85_I	99_Y	1.599	0.99
146_T	165_F	1.586	0.99
101_K	240_E	1.575	0.99
235_L	239_R	1.536	0.99
76_H	82_P	1.527	0.99
112_A	227_H	1.515	0.99
108_E	232_N	1.500	0.99
170_G	175_E	1.482	0.99
15_K	19_Q	1.464	0.99
192_P	201_M	1.418	0.99
121_G	124_Y	1.404	0.99
130_V	176_V	1.397	0.98
26_E	29_K	1.396	0.98
106_D	236_N	1.384	0.98
14_V	202_N	1.359	0.98
49_I	81_I	1.349	0.98
25_L	39_I	1.342	0.98
40_S	52_G	1.335	0.98
132_I	164_C	1.323	0.98
4_A	61_A	1.306	0.98
230_V	233_A	1.305	0.98
9_G	133_G	1.300	0.98
12_S	44_L	1.292	0.97
208_V	212_K	1.285	0.97
111_K	229_H	1.283	0.97
162_I	179_E	1.282	0.97
16_K	202_N	1.259	0.97
134_R	200_L	1.256	0.97
164_C	176_V	1.254	0.97
117_M	189_F	1.218	0.96
19_Q	22_A	1.217	0.96
110_V	151_L	1.214	0.96
73_T	144_D	1.211	0.96
192_P	221_S	1.203	0.96
75_A	134_R	1.201	0.96
114_Y	118_K	1.198	0.96
199_M	203_E	1.186	0.96
156_V	159_K	1.176	0.96
10_H	80_D	1.176	0.96
43_E	75_A	1.165	0.95
65_A	100_G	1.165	0.95
12_S	42_L	1.161	0.95
128_R	180_L	1.155	0.95
76_H	200_L	1.151	0.95
4_A	36_V	1.150	0.95
114_Y	156_V	1.137	0.95
194_L	201_M	1.127	0.94
166_L	194_L	1.124	0.94
116_R	119_D	1.107	0.94
113_V	191_V	1.107	0.94
35_P	238_V	1.104	0.94
65_A	242_A	1.099	0.94
149_A	163_P	1.096	0.93
13_R	199_M	1.095	0.93
74_A	136_S	1.078	0.93
43_E	76_H	1.075	0.93
7_Y	37_Q	1.073	0.93
165_F	171_P	1.070	0.93
7_Y	21_A	1.068	0.93
86_V	89_A	1.067	0.93
236_N	240_E	1.056	0.92
53_F	88_V	1.055	0.92
49_I	84_E	1.049	0.92
6_L	40_S	1.045	0.92
134_R	196_F	1.033	0.91
52_G	192_P	1.026	0.91
67_V	100_G	1.012	0.90
146_T	150_N	1.010	0.90
23_A	26_E	1.007	0.90
10_H	43_E	1.004	0.90
105_I	193_Y	1.003	0.90
107_E	151_L	1.002	0.90
134_R	199_M	1.002	0.90
65_A	238_V	1.002	0.90
65_A	241_T	0.992	0.90
175_E	178_S	0.990	0.89
28_C	235_L	0.989	0.89
70_L	168_A	0.988	0.89
131_L	161_V	0.988	0.89
74_A	77_A	0.983	0.89
50_E	84_E	0.966	0.88
187_T	219_Y	0.959	0.88
117_M	191_V	0.959	0.88
29_K	37_Q	0.959	0.88
43_E	134_R	0.955	0.88
117_M	129_V	0.955	0.88
113_V	193_Y	0.949	0.87
6_L	56_C	0.940	0.87
149_A	161_V	0.939	0.87
34_V	54_E	0.936	0.87
70_L	77_A	0.925	0.86
142_K	165_F	0.922	0.86
20_E	197_T	0.915	0.85
71_L	76_H	0.915	0.85
38_E	59_Q	0.914	0.85
42_L	74_A	0.910	0.85
30_A	33_S	0.907	0.85
65_A	98_S	0.901	0.84
114_Y	155_M	0.893	0.84
16_K	19_Q	0.888	0.84
13_R	200_L	0.886	0.83
144_D	151_L	0.885	0.83
18_Q	45_Q	0.882	0.83
43_E	80_D	0.881	0.83
177_F	188_T	0.878	0.83
54_E	58_K	0.876	0.83
6_L	192_P	0.865	0.82
118_K	124_Y	0.864	0.82
110_V	148_I	0.861	0.82
36_V	59_Q	0.859	0.81
70_L	74_A	0.858	0.81
21_A	39_I	0.856	0.81
100_G	234_F	0.856	0.81
189_F	221_S	0.847	0.81
53_F	64_I	0.839	0.80
10_H	200_L	0.836	0.80
36_V	61_A	0.836	0.80
130_V	164_C	0.825	0.79
71_L	195_L	0.818	0.78
49_I	53_F	0.818	0.78
28_C	37_Q	0.817	0.78
201_M	223_Y	0.808	0.77
195_L	230_V	0.808	0.77
70_L	80_D	0.804	0.77
70_L	79_H	0.803	0.77
130_V	177_F	0.803	0.77
42_L	193_Y	0.799	0.77
22_A	39_I	0.790	0.76
136_S	198_G	0.790	0.76
197_T	202_N	0.786	0.75
164_C	180_L	0.785	0.75
137_S	195_L	0.785	0.75
128_R	185_G	0.784	0.75
128_R	188_T	0.784	0.75
75_A	137_S	0.776	0.74
8_V	159_K	0.775	0.74
77_A	102_P	0.768	0.74
44_L	74_A	0.762	0.73
70_L	200_L	0.758	0.73
75_A	196_F	0.756	0.73
144_D	147_G	0.749	0.72
176_V	180_L	0.746	0.72
109_V	230_V	0.739	0.71
10_H	82_P	0.738	0.71
43_E	132_I	0.737	0.71
46_E	83_E	0.737	0.71
25_L	29_K	0.734	0.70
9_G	21_A	0.733	0.70
194_L	200_L	0.733	0.70
64_I	97_I	0.719	0.69
20_E	196_F	0.717	0.69
162_I	183_D	0.717	0.69
142_K	169_C	0.717	0.69
143_R	147_G	0.716	0.68
50_E	87_R	0.715	0.68
172_N	176_V	0.714	0.68
129_V	161_V	0.714	0.68
127_A	189_F	0.708	0.68
73_T	78_K	0.706	0.67
137_S	165_F	0.703	0.67
8_V	177_F	0.702	0.67
151_L	154_E	0.702	0.67
178_S	182_K	0.701	0.67
112_A	230_V	0.701	0.67
221_S	225_G	0.701	0.67
73_T	166_L	0.700	0.67
18_Q	226_F	0.698	0.66
75_A	79_H	0.696	0.66
81_I	85_I	0.694	0.66
132_I	204_I	0.692	0.66
51_T	55_A	0.692	0.66
3_Q	65_A	0.691	0.66
20_E	225_G	0.689	0.65
8_V	40_S	0.689	0.65
12_S	82_P	0.688	0.65
74_A	198_G	0.687	0.65
82_P	200_L	0.683	0.65
134_R	194_L	0.683	0.65
78_K	204_I	0.679	0.64
20_E	23_A	0.679	0.64
111_K	114_Y	0.679	0.64
152_L	156_V	0.677	0.64
76_H	198_G	0.674	0.64
232_N	235_L	0.672	0.64
23_A	27_G	0.666	0.63
27_G	30_A	0.665	0.63
41_F	57_V	0.665	0.63
12_S	194_L	0.665	0.63
167_T	171_P	0.665	0.63
127_A	223_Y	0.663	0.62
26_E	96_R	0.663	0.62
125_E	159_K	0.661	0.62
13_R	82_P	0.659	0.62
80_D	198_G	0.658	0.62
5_I	65_A	0.654	0.61
174_K	177_F	0.651	0.61
20_E	223_Y	0.647	0.61
44_L	200_L	0.647	0.61
140_D	144_D	0.644	0.60
81_I	201_M	0.643	0.60
167_T	192_P	0.642	0.60
173_Y	207_E	0.637	0.59
123_P	126_N	0.636	0.59
148_I	193_Y	0.632	0.59
228_P	232_N	0.630	0.59
48_T	172_N	0.630	0.59
235_L	238_V	0.629	0.58
103_I	237_R	0.629	0.58
209_Q	212_K	0.628	0.58
42_L	194_L	0.627	0.58
8_V	13_R	0.626	0.58
196_F	200_L	0.623	0.58
87_R	90_S	0.621	0.57
174_K	210_K	0.620	0.57
116_R	227_H	0.616	0.57
230_V	239_R	0.615	0.57
218_V	222_S	0.612	0.56
21_A	37_Q	0.610	0.56
43_E	52_G	0.608	0.56
150_N	153_Q	0.607	0.56
44_L	130_V	0.607	0.56
233_A	237_R	0.607	0.56
173_Y	178_S	0.607	0.56
212_K	219_Y	0.604	0.55
10_H	70_L	0.601	0.55
194_L	224_I	0.597	0.55
189_F	233_A	0.596	0.54
120_I	189_F	0.594	0.54
43_E	49_I	0.592	0.54
28_C	108_E	0.592	0.54
56_C	61_A	0.590	0.54
201_M	205_E	0.582	0.53
47_P	76_H	0.580	0.52
189_F	192_P	0.580	0.52
22_A	26_E	0.577	0.52
98_S	241_T	0.575	0.52
31_H	235_L	0.575	0.52
69_L	234_F	0.573	0.52
9_G	41_F	0.573	0.52
50_E	54_E	0.572	0.51
110_V	114_Y	0.570	0.51
24_F	130_V	0.569	0.51
120_I	221_S	0.569	0.51
71_L	196_F	0.566	0.51
134_R	167_T	0.565	0.51
16_K	233_A	0.564	0.50
117_M	201_M	0.564	0.50
47_P	80_D	0.561	0.50
58_K	119_D	0.560	0.50
13_R	40_S	0.559	0.50
111_K	115_H	0.559	0.50
70_L	76_H	0.557	0.50
140_D	147_G	0.556	0.49
46_E	51_T	0.555	0.49
77_A	141_V	0.553	0.49
210_K	219_Y	0.552	0.49
54_E	59_Q	0.552	0.49
10_H	198_G	0.549	0.49
7_Y	168_A	0.547	0.48
21_A	112_A	0.542	0.48
46_E	49_I	0.541	0.48
212_K	218_V	0.541	0.48
59_Q	62_T	0.540	0.47
61_A	95_V	0.539	0.47
194_L	198_G	0.539	0.47
153_Q	169_C	0.538	0.47
72_L	196_F	0.538	0.47
101_K	237_R	0.538	0.47
63_H	183_D	0.537	0.47
10_H	13_R	0.536	0.47
165_F	169_C	0.535	0.47
238_V	242_A	0.531	0.46
68_P	198_G	0.530	0.46
103_I	230_V	0.530	0.46
105_I	134_R	0.530	0.46
76_H	137_S	0.528	0.46
152_L	227_H	0.525	0.46
97_I	163_P	0.524	0.45
40_S	48_T	0.523	0.45
9_G	39_I	0.523	0.45
85_I	97_I	0.522	0.45
147_G	151_L	0.516	0.44
171_P	196_F	0.515	0.44
86_V	179_E	0.514	0.44
17_A	185_G	0.514	0.44
67_V	238_V	0.513	0.44
132_I	173_Y	0.512	0.44
17_A	195_L	0.512	0.44
134_R	192_P	0.512	0.44
102_P	137_S	0.511	0.44
89_A	96_R	0.511	0.44
106_D	193_Y	0.510	0.44
205_E	222_S	0.509	0.44
6_L	53_F	0.508	0.44
44_L	72_L	0.507	0.43
75_A	167_T	0.506	0.43
131_L	177_F	0.505	0.43
131_L	138_D	0.505	0.43
239_R	242_A	0.502	0.43
154_E	240_E	0.501	0.43
180_L	185_G	0.501	0.43
43_E	79_H	0.501	0.43
150_N	154_E	0.500	0.43
44_L	134_R	0.500	0.43

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
2jh3A	2	0.9425	100	0.411	Contact Map
2xvyA	3	0.9234	100	0.428	Contact Map
4ccsA	1	0.8352	100	0.436	Contact Map
2xwpA	5	0.9042	100	0.463	Contact Map
1lbqA	2	0.9808	100	0.565	Contact Map
3hcnA	2	0.9923	100	0.567	Contact Map
2h1vA	1	0.9119	100	0.581	Contact Map
2xwsA	2	0.4521	99.9	0.645	Contact Map
1tjnA	4	0.4483	99.9	0.648	Contact Map
3lyhA	2	0.4636	99.9	0.672	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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