CTAA - BACSU - GREMLIN Contacts

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CTAA - Heme A synthase

UniProt:	P12946	Sequences: MNKALKALGVLTTFVMLIVLIGGALVTKTGSGQGCGRQWPLCHGRFFPELNPASIIEWSHRFASGISIILVLSLAFWSWRKITPIFRETTFLAIMSIIFLFLQALLGALAVVFGSNALIMALHFGISLISFASVLILTLLIFEADKSVRTLVKPLQIGKKMQFHMIGILIYSYIVVYTGAYVRHTESSLACPNVPLCSPLNNGLPTQFHEWVQMGHRAAALLLFVWIIVAAVHAITSYKDQKQIFWGWISCLIFITLQALSGIMIVYSELALGFALAHSFFIACLFGVLCYFLLLIARFRYESRQS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	306 (282)
Sequences:	2614 (1849)
Seq/√Len:	110.1

BACSU - CTAA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
121_A	180_A	3.489	1.00
178_T	219_A	3.165	1.00
131_F	287_G	3.109	1.00
65_G	104_A	3.001	1.00
106_L	122_L	2.897	1.00
21_I	280_F	2.855	1.00
10_V	138_T	2.725	1.00
168_I	226_W	2.720	1.00
75_A	97_I	2.625	1.00
171_Y	226_W	2.608	1.00
71_V	100_L	2.582	1.00
17_L	280_F	2.507	1.00
22_G	63_A	2.473	1.00
254_F	288_V	2.387	1.00
231_A	235_I	2.344	1.00
13_T	138_T	2.201	1.00
102_L	106_L	2.190	1.00
15_V	70_L	2.190	1.00
44_G	48_P	2.183	1.00
268_S	271_A	2.173	1.00
20_L	24_A	2.138	1.00
75_A	79_W	2.133	1.00
125_G	177_Y	2.097	1.00
224_F	259_A	2.083	1.00
196_L	203_G	2.037	1.00
106_L	126_I	2.002	1.00
247_G	291_Y	1.990	1.00
13_T	135_L	1.956	1.00
35_C	42_C	1.935	1.00
69_I	73_S	1.916	1.00
260_L	264_M	1.891	1.00
55_I	59_S	1.878	1.00
249_I	253_I	1.828	1.00
29_T	56_I	1.821	1.00
19_V	64_S	1.820	1.00
79_W	90_T	1.775	1.00
87_R	91_F	1.765	1.00
75_A	94_I	1.743	1.00
193_N	198_S	1.734	1.00
229_V	233_H	1.725	1.00
77_W	81_K	1.697	1.00
16_M	134_V	1.691	1.00
8_L	73_S	1.675	1.00
175_V	223_L	1.660	1.00
194_V	221_L	1.640	1.00
161_M	234_A	1.620	1.00
235_I	249_I	1.619	1.00
49_E	52_P	1.614	1.00
58_W	62_F	1.601	1.00
196_L	199_P	1.597	1.00
202_N	206_T	1.581	1.00
273_G	277_A	1.579	1.00
284_C	288_V	1.578	1.00
72_L	97_I	1.571	1.00
228_I	232_V	1.561	1.00
264_M	268_S	1.561	1.00
164_H	226_W	1.553	1.00
12_T	70_L	1.551	1.00
234_A	248_W	1.543	1.00
82_I	90_T	1.530	1.00
224_F	256_T	1.529	1.00
106_L	109_L	1.509	1.00
231_A	252_L	1.496	1.00
20_L	283_A	1.495	1.00
79_W	94_I	1.490	1.00
6_K	142_F	1.490	1.00
68_I	104_A	1.488	1.00
261_S	277_A	1.477	1.00
92_L	137_L	1.470	1.00
168_I	227_I	1.470	1.00
261_S	281_F	1.464	1.00
172_S	289_L	1.463	1.00
250_S	288_V	1.462	1.00
231_A	249_I	1.448	1.00
91_F	95_M	1.444	1.00
117_A	185_T	1.443	1.00
25_L	276_L	1.439	1.00
76_F	80_R	1.434	1.00
168_I	230_A	1.430	1.00
256_T	260_L	1.398	1.00
41_L	44_G	1.397	1.00
135_L	287_G	1.394	1.00
251_C	292_F	1.376	1.00
232_V	235_I	1.376	1.00
164_H	168_I	1.367	1.00
98_I	102_L	1.363	1.00
8_L	77_W	1.361	1.00
159_K	163_F	1.359	1.00
254_F	284_C	1.347	1.00
242_K	246_W	1.339	1.00
163_F	167_G	1.332	1.00
35_C	40_P	1.331	1.00
40_P	43_H	1.326	1.00
9_G	74_L	1.308	0.99
25_L	29_T	1.288	0.99
171_Y	223_L	1.288	0.99
15_V	67_S	1.287	0.99
227_I	255_I	1.282	0.99
76_F	79_W	1.277	0.99
101_F	105_L	1.262	0.99
291_Y	295_L	1.258	0.99
213_Q	266_V	1.249	0.99
191_C	197_C	1.240	0.99
109_L	119_I	1.236	0.99
24_A	279_S	1.221	0.99
280_F	284_C	1.220	0.99
30_G	186_E	1.207	0.99
213_Q	217_R	1.206	0.99
96_S	133_S	1.206	0.99
169_L	290_C	1.202	0.99
22_G	56_I	1.202	0.99
4_A	7_A	1.197	0.99
214_M	218_A	1.196	0.99
164_H	229_V	1.184	0.99
168_I	172_S	1.170	0.99
91_F	94_I	1.150	0.99
254_F	257_L	1.150	0.99
165_M	292_F	1.146	0.99
166_I	293_L	1.139	0.98
35_C	44_G	1.135	0.98
96_S	134_V	1.117	0.98
175_V	178_T	1.110	0.98
108_A	112_V	1.107	0.98
105_L	109_L	1.107	0.98
125_G	173_Y	1.101	0.98
128_L	283_A	1.099	0.98
66_I	70_L	1.098	0.98
109_L	122_L	1.097	0.98
135_L	139_L	1.094	0.98
102_L	126_I	1.094	0.98
97_I	100_L	1.089	0.98
110_A	119_I	1.089	0.98
221_L	225_V	1.088	0.98
132_A	286_F	1.078	0.98
166_I	170_I	1.072	0.98
100_L	130_S	1.070	0.98
45_R	48_P	1.068	0.98
286_F	290_C	1.060	0.98
251_C	289_L	1.057	0.98
35_C	38_Q	1.042	0.97
65_G	69_I	1.038	0.97
105_L	108_A	1.032	0.97
224_F	255_I	1.028	0.97
165_M	230_A	1.027	0.97
224_F	228_I	1.025	0.97
251_C	288_V	1.023	0.97
203_G	218_A	1.023	0.97
41_L	46_F	1.019	0.97
163_F	166_I	1.016	0.97
43_H	54_S	1.012	0.97
95_M	133_S	1.012	0.97
227_I	231_A	1.009	0.97
169_L	293_L	1.003	0.97
259_A	263_I	0.993	0.96
110_A	120_M	0.992	0.96
19_V	67_S	0.985	0.96
57_E	111_V	0.980	0.96
165_M	293_L	0.974	0.96
247_G	295_L	0.969	0.96
160_K	163_F	0.967	0.96
104_A	108_A	0.965	0.96
25_L	56_I	0.953	0.95
18_I	22_G	0.950	0.95
251_C	285_L	0.948	0.95
261_S	274_F	0.948	0.95
128_L	176_V	0.945	0.95
225_V	229_V	0.942	0.95
265_I	275_A	0.934	0.95
102_L	105_L	0.933	0.95
218_A	222_L	0.931	0.95
114_G	184_H	0.926	0.95
116_N	119_I	0.923	0.95
138_T	142_F	0.920	0.95
139_L	294_L	0.920	0.95
28_K	33_Q	0.918	0.94
135_L	291_Y	0.915	0.94
115_S	120_M	0.914	0.94
167_G	170_I	0.911	0.94
216_H	278_H	0.910	0.94
247_G	288_V	0.908	0.94
132_A	290_C	0.906	0.94
18_I	63_A	0.902	0.94
17_L	131_F	0.897	0.94
145_D	154_P	0.896	0.94
64_S	68_I	0.895	0.94
193_N	196_L	0.895	0.94
246_W	249_I	0.892	0.94
72_L	104_A	0.889	0.93
88_E	140_L	0.886	0.93
161_M	165_M	0.881	0.93
229_V	232_V	0.880	0.93
250_S	257_L	0.871	0.93
140_L	294_L	0.868	0.93
26_V	64_S	0.868	0.93
7_A	11_L	0.865	0.93
96_S	137_L	0.864	0.92
170_I	174_I	0.862	0.92
38_Q	43_H	0.859	0.92
113_F	116_N	0.858	0.92
27_T	33_Q	0.857	0.92
242_K	245_F	0.855	0.92
113_F	119_I	0.855	0.92
89_T	137_L	0.854	0.92
22_G	59_S	0.849	0.92
252_L	256_T	0.849	0.92
254_F	285_L	0.846	0.92
271_A	274_F	0.843	0.92
174_I	219_A	0.839	0.91
109_L	113_F	0.833	0.91
169_L	173_Y	0.833	0.91
10_V	142_F	0.830	0.91
27_T	120_M	0.827	0.91
35_C	58_W	0.825	0.91
172_S	223_L	0.825	0.91
72_L	76_F	0.820	0.90
73_S	77_W	0.818	0.90
211_W	215_G	0.813	0.90
194_V	198_S	0.813	0.90
194_V	197_C	0.812	0.90
254_F	281_F	0.811	0.90
15_V	63_A	0.808	0.90
234_A	240_D	0.808	0.90
264_M	274_F	0.801	0.89
243_Q	295_L	0.801	0.89
177_Y	181_Y	0.787	0.88
232_V	236_T	0.782	0.88
131_F	283_A	0.779	0.88
11_L	70_L	0.776	0.88
202_N	205_P	0.773	0.88
63_A	66_I	0.771	0.87
65_G	108_A	0.768	0.87
26_V	116_N	0.763	0.87
196_L	205_P	0.762	0.87
235_I	252_L	0.761	0.87
11_L	15_V	0.760	0.87
37_R	43_H	0.757	0.86
122_L	126_I	0.755	0.86
230_A	292_F	0.755	0.86
178_T	215_G	0.753	0.86
216_H	258_Q	0.752	0.86
89_T	141_I	0.752	0.86
185_T	190_A	0.752	0.86
268_S	273_G	0.752	0.86
218_A	221_L	0.751	0.86
26_V	56_I	0.748	0.86
75_A	98_I	0.743	0.85
253_I	257_L	0.737	0.85
65_G	127_S	0.736	0.85
34_G	54_S	0.734	0.85
186_E	189_L	0.733	0.85
250_S	254_F	0.727	0.84
5_L	141_I	0.726	0.84
34_G	53_A	0.725	0.84
31_S	56_I	0.724	0.84
27_T	32_G	0.722	0.84
255_I	259_A	0.718	0.83
221_L	259_A	0.717	0.83
161_M	233_H	0.717	0.83
199_P	202_N	0.713	0.83
121_A	184_H	0.712	0.83
204_L	207_Q	0.708	0.83
188_S	191_C	0.702	0.82
96_S	130_S	0.699	0.82
129_I	133_S	0.697	0.82
124_F	134_V	0.693	0.81
176_V	286_F	0.690	0.81
230_A	233_H	0.689	0.81
171_Y	219_A	0.687	0.81
159_K	162_Q	0.683	0.80
86_F	89_T	0.681	0.80
215_G	218_A	0.680	0.80
180_A	186_E	0.678	0.80
161_M	164_H	0.669	0.79
110_A	115_S	0.669	0.79
16_M	20_L	0.669	0.79
8_L	74_L	0.669	0.79
35_C	43_H	0.668	0.79
92_L	133_S	0.667	0.79
189_L	275_A	0.663	0.78
63_A	70_L	0.662	0.78
164_H	233_H	0.658	0.78
72_L	101_F	0.657	0.78
172_S	227_I	0.657	0.78
5_L	78_S	0.657	0.78
185_T	212_V	0.657	0.78
99_F	133_S	0.656	0.78
27_T	271_A	0.654	0.77
272_L	276_L	0.651	0.77
129_I	173_Y	0.650	0.77
235_I	245_F	0.646	0.77
92_L	140_L	0.646	0.77
146_K	154_P	0.645	0.76
71_V	93_A	0.642	0.76
222_L	225_V	0.642	0.76
64_S	69_I	0.641	0.76
219_A	223_L	0.639	0.76
162_Q	296_I	0.639	0.76
186_E	275_A	0.636	0.75
21_I	276_L	0.636	0.75
103_Q	123_H	0.635	0.75
165_M	296_I	0.633	0.75
27_T	110_A	0.628	0.74
124_F	128_L	0.628	0.74
53_A	108_A	0.627	0.74
195_P	217_R	0.623	0.74
19_V	24_A	0.622	0.74
195_P	198_S	0.622	0.74
111_V	123_H	0.622	0.74
9_G	138_T	0.621	0.74
47_F	54_S	0.621	0.74
165_M	229_V	0.620	0.74
17_L	284_C	0.618	0.73
196_L	214_M	0.613	0.73
33_Q	37_R	0.612	0.73
133_S	137_L	0.610	0.72
124_F	184_H	0.610	0.72
54_S	279_S	0.610	0.72
19_V	100_L	0.609	0.72
97_I	101_F	0.606	0.72
60_H	180_A	0.602	0.71
45_R	62_F	0.601	0.71
221_L	263_I	0.598	0.71
88_E	92_L	0.598	0.71
202_N	207_Q	0.597	0.71
12_T	74_L	0.596	0.71
192_P	198_S	0.592	0.70
14_F	18_I	0.592	0.70
60_H	188_S	0.591	0.70
273_G	276_L	0.590	0.70
23_G	57_E	0.590	0.70
233_H	237_S	0.589	0.70
94_I	97_I	0.588	0.70
121_A	181_Y	0.588	0.70
51_N	54_S	0.584	0.69
27_T	184_H	0.583	0.69
110_A	114_G	0.583	0.69
34_G	47_F	0.581	0.69
241_Q	245_F	0.581	0.69
92_L	136_I	0.579	0.68
258_Q	278_H	0.578	0.68
28_K	276_L	0.577	0.68
67_S	100_L	0.577	0.68
144_A	156_Q	0.577	0.68
195_P	213_Q	0.575	0.68
198_S	202_N	0.575	0.68
54_S	58_W	0.575	0.68
161_M	230_A	0.574	0.68
27_T	115_S	0.573	0.68
84_P	90_T	0.572	0.68
23_G	123_H	0.572	0.68
64_S	67_S	0.571	0.67
35_C	45_R	0.570	0.67
27_T	123_H	0.570	0.67
277_A	281_F	0.568	0.67
22_G	26_V	0.567	0.67
26_V	29_T	0.567	0.67
24_A	28_K	0.566	0.67
158_G	162_Q	0.566	0.67
28_K	184_H	0.565	0.67
94_I	98_I	0.563	0.66
38_Q	112_V	0.562	0.66
214_M	221_L	0.562	0.66
232_V	252_L	0.562	0.66
8_L	47_F	0.558	0.66
228_I	256_T	0.557	0.65
60_H	187_S	0.557	0.65
90_T	94_I	0.554	0.65
233_H	236_T	0.552	0.65
37_R	120_M	0.552	0.65
44_G	54_S	0.551	0.65
77_W	83_T	0.550	0.65
220_A	223_L	0.549	0.64
11_L	254_F	0.549	0.64
62_F	65_G	0.548	0.64
124_F	180_A	0.546	0.64
76_F	242_K	0.545	0.64
84_P	93_A	0.544	0.64
50_L	55_I	0.544	0.64
26_V	184_H	0.544	0.64
6_K	141_I	0.541	0.63
252_L	255_I	0.539	0.63
41_L	47_F	0.538	0.63
80_R	83_T	0.538	0.63
93_A	97_I	0.537	0.63
5_L	9_G	0.536	0.63
199_P	203_G	0.536	0.63
206_T	210_E	0.536	0.63
71_V	74_L	0.536	0.63
7_A	10_V	0.536	0.63
9_G	93_A	0.533	0.62
100_L	104_A	0.531	0.62
34_G	115_S	0.530	0.62
220_A	258_Q	0.529	0.62
125_G	180_A	0.529	0.62
65_G	68_I	0.528	0.61
15_V	19_V	0.527	0.61
160_K	233_H	0.526	0.61
231_A	248_W	0.526	0.61
28_K	53_A	0.525	0.61
166_I	169_L	0.521	0.60
194_V	263_I	0.521	0.60
167_G	174_I	0.520	0.60
78_S	89_T	0.518	0.60
11_L	14_F	0.518	0.60
140_L	143_E	0.517	0.60
28_K	272_L	0.516	0.60
156_Q	167_G	0.516	0.60
32_G	111_V	0.515	0.59
125_G	129_I	0.515	0.59
250_S	260_L	0.513	0.59
207_Q	210_E	0.513	0.59
180_A	183_R	0.511	0.59
173_Y	177_Y	0.510	0.59
225_V	273_G	0.509	0.59
57_E	258_Q	0.507	0.58
30_G	67_S	0.506	0.58
53_A	115_S	0.505	0.58
141_I	145_D	0.504	0.58
260_L	269_E	0.504	0.58
43_H	48_P	0.503	0.58
124_F	183_R	0.503	0.58
28_K	275_A	0.501	0.57
136_I	140_L	0.500	0.57

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
4ev6A	3	0.2124	44.7	0.95	Contact Map
4gd3A	2	0.4444	37.3	0.953	Contact Map
1kqfC	3	0.4771	25.1	0.957	Contact Map
4i0uA	4	0.2059	24	0.957	Contact Map
2jwaA	2	0.1405	21.2	0.958	Contact Map
2ks1B	1	0.1438	20.7	0.958	Contact Map
2l8sA	1	0.1405	15.1	0.961	Contact Map
4o6yA	2	0.549	11.1	0.963	Contact Map
2m3eA	1	0.1503	8.1	0.965	Contact Map
3cx5C	2	0.5327	7.7	0.966	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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