Q9HPN3 - HALSA - GREMLIN Contacts

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Q9HPN3 - Cobalamin biosynthesis

UniProt:	Q9HPN3	Sequences: MTVYGVGLGPGEPDLLTLRGKRTLEAADVVYSPGRLSRTVATHHVPDSRIGDLDFPMTSDPEKLRAAWRDAAAEVAPRARDGDVAFATLGDPNVYSTFGHLRRTLDAFHPDIDVQTVPGVSAVSAFTTALGVEVDAGAGLALREAAQGASPTGPDRMILFKVTDAPATHEGLVDAGYDVTYGRRLYMEQGDTTVTRDPAEIADRDYYTLAYAERDTLQKDRATAFDDTEVAGDA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	234 (208)
Sequences:	9180 (5502)
Seq/√Len:	381.5

ECOLI - CYSG
BACSU - SUMT NASF
HALSA - Q9HPN3 Q9HMY4 Q9HPN2 Q9HPN0 Q9HPM9 Q9HPM0
SULSO - Q97W12 Q97WC8 Q97WC9 Q97UT5 Q97WC5 Q97WD1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
21_K	25_E	3.808	1.00
14_D	22_R	3.492	1.00
129_A	190_G	3.194	1.00
4_Y	23_T	3.036	1.00
183_R	192_T	2.676	1.00
27_A	85_A	2.669	1.00
196_R	200_E	2.612	1.00
126_F	185_L	2.562	1.00
182_G	185_L	2.482	1.00
49_R	78_R	2.437	1.00
4_Y	83_D	2.376	1.00
196_R	204_R	2.356	1.00
184_R	189_Q	2.324	1.00
6_V	85_A	2.185	1.00
78_R	81_D	2.106	1.00
14_D	19_R	2.100	1.00
197_D	200_E	2.080	1.00
76_A	110_P	2.025	1.00
19_R	115_Q	1.966	1.00
28_D	83_D	1.898	1.00
130_L	180_T	1.874	1.00
23_T	117_V	1.840	1.00
4_Y	115_Q	1.819	1.00
169_H	173_V	1.808	1.00
104_T	110_P	1.802	1.00
22_R	25_E	1.801	1.00
12_E	19_R	1.796	1.00
18_L	21_K	1.793	1.00
122_A	160_F	1.778	1.00
34_G	60_D	1.743	1.00
22_R	26_A	1.721	1.00
26_A	83_D	1.690	1.00
93_N	98_F	1.654	1.00
169_H	202_A	1.644	1.00
141_A	154_P	1.632	1.00
214_R	217_L	1.621	1.00
73_A	77_P	1.615	1.00
164_D	167_A	1.595	1.00
29_V	78_R	1.581	1.00
196_R	201_I	1.570	1.00
30_V	44_H	1.561	1.00
6_V	20_G	1.515	1.00
141_A	155_D	1.510	1.00
121_S	124_S	1.504	1.00
184_R	187_M	1.504	1.00
77_P	81_D	1.466	1.00
200_E	204_R	1.451	1.00
76_A	104_T	1.443	1.00
7_G	92_P	1.441	1.00
74_E	77_P	1.422	1.00
70_D	73_A	1.409	1.00
32_S	50_I	1.408	1.00
167_A	170_E	1.402	1.00
5_G	98_F	1.390	1.00
126_F	182_G	1.370	1.00
74_E	78_R	1.357	1.00
171_G	174_D	1.322	1.00
165_A	201_I	1.319	1.00
16_L	20_G	1.317	1.00
17_T	120_V	1.302	1.00
183_R	205_D	1.301	1.00
23_T	85_A	1.280	1.00
139_G	155_D	1.273	1.00
93_N	116_T	1.273	1.00
159_L	162_V	1.271	1.00
170_E	174_D	1.263	1.00
51_G	74_E	1.257	1.00
3_V	105_L	1.248	1.00
31_Y	78_R	1.237	1.00
21_K	43_H	1.227	1.00
41_A	44_H	1.209	1.00
147_Q	151_P	1.208	1.00
4_Y	117_V	1.201	1.00
125_A	186_Y	1.192	1.00
158_I	211_Y	1.192	1.00
142_L	160_F	1.184	1.00
80_R	110_P	1.173	1.00
104_T	107_A	1.172	1.00
102_R	114_V	1.166	1.00
123_V	160_F	1.164	1.00
20_G	117_V	1.162	1.00
38_R	42_T	1.160	1.00
159_L	212_A	1.159	1.00
76_A	80_R	1.140	1.00
129_A	186_Y	1.135	1.00
106_D	131_G	1.126	1.00
166_P	170_E	1.124	1.00
181_Y	208_T	1.119	1.00
166_P	203_D	1.118	1.00
169_H	198_P	1.113	1.00
45_V	48_S	1.113	1.00
23_T	115_Q	1.100	1.00
31_Y	74_E	1.099	1.00
34_G	52_D	1.097	1.00
179_V	201_I	1.094	1.00
10_P	15_L	1.093	1.00
167_A	171_G	1.092	1.00
19_R	117_V	1.076	1.00
94_V	140_L	1.076	1.00
15_L	19_R	1.070	1.00
67_A	70_D	1.069	1.00
19_R	22_R	1.064	1.00
190_G	193_T	1.063	1.00
51_G	78_R	1.061	1.00
127_T	211_Y	1.053	1.00
66_A	70_D	1.051	1.00
165_A	210_A	1.040	1.00
121_S	160_F	1.039	1.00
171_G	175_A	1.029	1.00
94_V	124_S	1.018	1.00
99_G	136_A	1.013	1.00
127_T	134_V	1.010	1.00
79_A	112_I	1.000	1.00
6_V	117_V	0.992	1.00
194_V	204_R	0.988	1.00
31_Y	75_V	0.979	1.00
86_F	101_L	0.977	1.00
132_V	180_T	0.967	1.00
182_G	193_T	0.962	1.00
123_V	142_L	0.950	1.00
39_T	42_T	0.944	1.00
31_Y	84_V	0.943	1.00
106_D	114_V	0.941	1.00
61_P	163_T	0.938	1.00
28_D	45_V	0.932	1.00
116_T	128_T	0.931	1.00
166_P	202_A	0.928	1.00
3_V	79_A	0.927	1.00
172_L	212_A	0.924	1.00
148_G	151_P	0.922	1.00
80_R	112_I	0.916	1.00
13_P	39_T	0.915	1.00
88_T	96_S	0.907	1.00
92_P	96_S	0.902	1.00
31_Y	51_G	0.892	1.00
120_V	125_A	0.882	1.00
19_R	23_T	0.872	1.00
126_F	209_L	0.868	1.00
66_A	74_E	0.861	1.00
129_A	193_T	0.861	1.00
181_Y	201_I	0.857	1.00
180_T	195_T	0.856	1.00
183_R	208_T	0.852	1.00
14_D	18_L	0.852	1.00
98_F	102_R	0.851	1.00
23_T	83_D	0.850	1.00
25_E	43_H	0.847	1.00
37_S	40_V	0.841	1.00
158_I	209_L	0.840	1.00
94_V	134_V	0.837	1.00
12_E	186_Y	0.836	1.00
195_T	216_T	0.834	1.00
4_Y	27_A	0.829	1.00
41_A	45_V	0.827	1.00
16_L	40_V	0.824	1.00
169_H	201_I	0.820	1.00
154_P	157_M	0.820	1.00
72_A	75_V	0.818	1.00
20_G	40_V	0.818	1.00
23_T	26_A	0.814	1.00
103_R	136_A	0.811	1.00
72_A	104_T	0.806	1.00
24_L	85_A	0.800	1.00
24_L	30_V	0.799	1.00
92_P	116_T	0.798	1.00
44_H	50_I	0.798	1.00
125_A	185_L	0.797	1.00
116_T	131_G	0.794	1.00
158_I	172_L	0.794	1.00
173_V	199_A	0.791	1.00
183_R	194_V	0.790	1.00
30_V	48_S	0.785	1.00
159_L	168_T	0.778	1.00
16_L	21_K	0.778	1.00
12_E	15_L	0.772	1.00
63_K	66_A	0.771	1.00
69_R	104_T	0.771	1.00
69_R	73_A	0.766	1.00
60_D	63_K	0.762	1.00
79_A	84_V	0.761	1.00
178_D	214_R	0.761	1.00
29_V	51_G	0.760	1.00
36_L	39_T	0.759	1.00
4_Y	85_A	0.758	1.00
31_Y	57_M	0.749	1.00
52_D	65_R	0.749	1.00
37_S	41_A	0.743	1.00
157_M	172_L	0.741	1.00
40_V	43_H	0.732	1.00
156_R	161_K	0.732	1.00
126_F	211_Y	0.731	1.00
32_S	52_D	0.728	1.00
34_G	61_P	0.723	1.00
130_L	193_T	0.720	1.00
72_A	76_A	0.719	1.00
27_A	83_D	0.717	1.00
61_P	64_L	0.713	1.00
23_T	27_A	0.712	1.00
165_A	169_H	0.707	1.00
139_G	144_E	0.707	1.00
20_G	85_A	0.706	1.00
201_I	204_R	0.705	1.00
195_T	217_L	0.702	1.00
3_V	75_V	0.700	0.99
107_A	110_P	0.699	0.99
40_V	44_H	0.697	0.99
130_L	182_G	0.696	0.99
18_L	43_H	0.693	0.99
76_A	112_I	0.692	0.99
132_V	216_T	0.690	0.99
6_V	23_T	0.684	0.99
18_L	22_R	0.684	0.99
199_A	202_A	0.683	0.99
70_D	77_P	0.681	0.99
122_A	127_T	0.680	0.99
36_L	40_V	0.673	0.99
135_D	140_L	0.672	0.99
13_P	43_H	0.670	0.99
98_F	116_T	0.670	0.99
139_G	143_R	0.669	0.99
179_V	202_A	0.669	0.99
37_S	44_H	0.668	0.99
177_Y	214_R	0.667	0.99
49_R	74_E	0.666	0.99
103_R	107_A	0.662	0.99
77_P	80_R	0.661	0.99
145_A	168_T	0.661	0.99
79_A	113_D	0.655	0.99
62_E	66_A	0.654	0.99
27_A	30_V	0.653	0.99
138_A	148_G	0.652	0.99
93_N	102_R	0.652	0.99
102_R	106_D	0.644	0.99
124_S	134_V	0.643	0.99
172_L	176_G	0.640	0.99
44_H	48_S	0.637	0.99
88_T	97_T	0.635	0.99
170_E	202_A	0.633	0.99
10_P	186_Y	0.629	0.99
154_P	177_Y	0.623	0.99
125_A	209_L	0.621	0.99
24_L	44_H	0.619	0.99
8_L	36_L	0.619	0.99
15_L	186_Y	0.619	0.99
184_R	207_Y	0.613	0.99
178_D	199_A	0.612	0.99
160_F	209_L	0.605	0.99
102_R	116_T	0.598	0.98
172_L	177_Y	0.597	0.98
144_E	147_Q	0.594	0.98
184_R	205_D	0.592	0.98
156_R	160_F	0.585	0.98
37_S	43_H	0.584	0.98
63_K	67_A	0.582	0.98
169_H	179_V	0.581	0.98
89_L	207_Y	0.578	0.98
41_A	87_A	0.575	0.98
173_V	202_A	0.575	0.98
141_A	153_G	0.575	0.98
140_L	143_R	0.574	0.98
127_T	185_L	0.573	0.98
6_V	24_L	0.573	0.98
173_V	177_Y	0.573	0.98
70_D	74_E	0.571	0.98
140_L	144_E	0.570	0.98
134_V	158_I	0.566	0.98
179_V	198_P	0.566	0.98
5_G	101_L	0.564	0.98
64_L	68_W	0.559	0.98
46_P	49_R	0.559	0.98
75_V	79_A	0.557	0.97
181_Y	194_V	0.556	0.97
105_L	114_V	0.556	0.97
68_W	71_A	0.554	0.97
42_T	45_V	0.552	0.97
182_G	211_Y	0.550	0.97
100_H	137_G	0.547	0.97
173_V	176_G	0.544	0.97
93_N	128_T	0.544	0.97
7_G	120_V	0.543	0.97
140_L	145_A	0.543	0.97
22_R	43_H	0.543	0.97
147_Q	150_S	0.542	0.97
165_A	181_Y	0.540	0.97
156_R	215_D	0.539	0.97
180_T	211_Y	0.537	0.97
102_R	131_G	0.535	0.97
12_E	129_A	0.529	0.97
181_Y	196_R	0.524	0.96
38_R	50_I	0.523	0.96
183_R	206_Y	0.523	0.96
61_P	206_Y	0.521	0.96
157_M	212_A	0.520	0.96
48_S	51_G	0.519	0.96
63_K	70_D	0.518	0.96
114_V	131_G	0.517	0.96
75_V	84_V	0.516	0.96
143_R	159_L	0.515	0.96
211_Y	215_D	0.514	0.96
99_G	103_R	0.512	0.96
71_A	75_V	0.512	0.96
200_E	203_D	0.512	0.96
3_V	112_I	0.511	0.96
139_G	145_A	0.509	0.96
64_L	67_A	0.508	0.96
57_M	66_A	0.507	0.96
149_A	152_T	0.505	0.96
78_R	84_V	0.504	0.96
99_G	135_D	0.503	0.95
79_A	82_G	0.502	0.95
181_Y	210_A	0.502	0.95
69_R	72_A	0.500	0.95

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
1pjqA	2	0.9359	100	0.3	Contact Map
1ve2A	2	0.906	100	0.305	Contact Map
2yboA	2	0.9017	100	0.306	Contact Map
1s4dA	4	0.9701	100	0.318	Contact Map
2e0nA	2	0.9359	100	0.321	Contact Map
2qbuA	2	0.8889	100	0.342	Contact Map
2zvbA	2	0.8675	100	0.359	Contact Map
4e16A	2	0.8632	100	0.361	Contact Map
1cbfA	2	0.8761	100	0.362	Contact Map
3ndcA	2	0.8932	100	0.367	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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