MHQN - BACSU - GREMLIN Contacts

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MHQN - Putative NAD(P)H nitroreductase MhqN

UniProt:	P96692	Sequences: MAEFTHLVNERRSASNFLSGHPITKEDLNEMFELVALAPSAFNLQHTKYVTVLDQDVKEKLKQAANGQYKVVSSSAVLLVLGDKQAYQQAADIYEGLKVLGILNKQEYDHMVQDTVSFYENRGEQFKRDEAIRNASLSAMMFMLSAKEKGWDTCPMIGFDAEAVKRILNIDDQFEVVMMITIGKEKTESRRPRGYRKPVNEFVEYM	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	206 (198)
Sequences:	7075 (5279)
Seq/√Len:	375.2

ECOLI - NFNB NFSA RUTE YDJA
BACSU - MHQN YODC YFKO YDGI NFRA1 NFRA2 YFHC
HALSA - Q9HQZ4
SULSO - Q97VQ3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
18_L	21_H	4.606	1.00
30_E	149_K	3.925	1.00
25_K	53_L	3.060	1.00
24_T	27_D	2.884	1.00
25_K	29_N	2.750	1.00
21_H	184_K	2.709	1.00
49_Y	138_S	2.632	1.00
152_D	185_E	2.480	1.00
60_K	167_I	2.383	1.00
165_K	176_V	2.367	1.00
55_Q	59_E	2.358	1.00
31_M	146_A	2.301	1.00
151_W	184_K	2.156	1.00
139_A	178_M	2.111	1.00
27_D	151_W	2.051	1.00
33_E	36_A	1.976	1.00
34_L	145_S	1.901	1.00
143_M	155_P	1.883	1.00
16_N	186_K	1.819	1.00
163_A	166_R	1.799	1.00
57_V	60_K	1.779	1.00
64_A	163_A	1.778	1.00
6_H	10_E	1.774	1.00
61_L	164_V	1.770	1.00
146_A	182_I	1.769	1.00
143_M	153_T	1.756	1.00
105_K	109_D	1.729	1.00
18_L	186_K	1.707	1.00
62_K	72_V	1.707	1.00
4_F	7_L	1.685	1.00
17_F	181_T	1.679	1.00
27_D	149_K	1.668	1.00
147_K	152_D	1.665	1.00
64_A	167_I	1.656	1.00
160_D	163_A	1.634	1.00
10_E	147_K	1.630	1.00
146_A	153_T	1.605	1.00
9_N	37_L	1.581	1.00
29_N	200_N	1.577	1.00
35_V	142_F	1.551	1.00
4_F	8_V	1.531	1.00
116_V	120_E	1.522	1.00
199_V	203_V	1.505	1.00
143_M	180_I	1.485	1.00
197_K	201_E	1.465	1.00
49_Y	78_L	1.443	1.00
57_V	167_I	1.440	1.00
54_D	57_V	1.414	1.00
31_M	151_W	1.408	1.00
31_M	142_F	1.394	1.00
185_E	188_E	1.389	1.00
59_E	63_Q	1.381	1.00
55_Q	58_K	1.376	1.00
78_L	142_F	1.370	1.00
48_K	174_F	1.363	1.00
139_A	180_I	1.350	1.00
133_R	136_S	1.339	1.00
92_D	201_E	1.335	1.00
36_A	202_F	1.315	1.00
29_N	33_E	1.315	1.00
32_F	203_V	1.290	1.00
5_T	9_N	1.288	1.00
135_A	177_V	1.278	1.00
133_R	157_I	1.271	1.00
59_E	72_V	1.268	1.00
81_L	174_F	1.263	1.00
17_F	154_C	1.263	1.00
109_D	113_Q	1.251	1.00
137_L	140_M	1.248	1.00
13_S	154_C	1.248	1.00
163_A	167_I	1.247	1.00
69_Y	72_V	1.246	1.00
8_V	141_M	1.211	1.00
69_Y	73_S	1.198	1.00
34_L	149_K	1.193	1.00
31_M	182_I	1.192	1.00
5_T	34_L	1.184	1.00
60_K	63_Q	1.181	1.00
28_L	182_I	1.156	1.00
151_W	182_I	1.156	1.00
29_N	199_V	1.151	1.00
23_I	151_W	1.150	1.00
27_D	30_E	1.142	1.00
56_D	59_E	1.140	1.00
22_P	53_L	1.137	1.00
162_E	166_R	1.119	1.00
27_D	184_K	1.112	1.00
38_A	141_M	1.106	1.00
113_Q	116_V	1.103	1.00
142_F	182_I	1.099	1.00
142_F	180_I	1.086	1.00
153_T	182_I	1.062	1.00
9_N	33_E	1.062	1.00
5_T	149_K	1.055	1.00
23_I	27_D	1.045	1.00
89_Q	92_D	1.039	1.00
51_T	76_A	1.022	1.00
153_T	180_I	1.019	1.00
80_V	142_F	1.002	1.00
104_N	107_E	0.997	1.00
92_D	95_E	0.990	1.00
128_R	175_E	0.978	1.00
4_F	144_L	0.976	1.00
4_F	148_E	0.976	1.00
30_E	34_L	0.973	1.00
5_T	30_E	0.972	1.00
113_Q	117_S	0.966	1.00
123_G	126_F	0.965	1.00
26_E	29_N	0.959	1.00
14_A	189_S	0.958	1.00
129_D	133_R	0.958	1.00
23_I	184_K	0.955	1.00
59_E	62_K	0.940	1.00
95_E	99_V	0.929	1.00
6_H	9_N	0.928	1.00
56_D	60_K	0.926	1.00
141_M	144_L	0.925	1.00
130_E	157_I	0.925	1.00
49_Y	80_V	0.916	1.00
50_V	81_L	0.913	1.00
154_C	181_T	0.911	1.00
28_L	76_A	0.906	1.00
161_A	176_V	0.904	1.00
50_V	168_L	0.904	1.00
28_L	32_F	0.900	1.00
85_Q	88_Q	0.897	1.00
23_I	26_E	0.893	1.00
51_T	203_V	0.891	1.00
129_D	132_I	0.888	1.00
41_A	157_I	0.887	1.00
35_V	49_Y	0.881	1.00
82_G	131_A	0.881	1.00
132_I	177_V	0.878	1.00
60_K	64_A	0.875	1.00
16_N	187_T	0.871	1.00
114_D	117_S	0.869	1.00
18_L	184_K	0.865	1.00
116_V	119_Y	0.864	1.00
24_T	184_K	0.855	1.00
186_K	189_S	0.851	1.00
138_S	202_F	0.846	1.00
77_V	181_T	0.844	1.00
31_M	149_K	0.839	1.00
32_F	35_V	0.838	1.00
65_A	179_M	0.835	1.00
164_V	176_V	0.821	1.00
165_K	175_E	0.819	1.00
139_A	155_P	0.816	1.00
33_E	199_V	0.815	1.00
15_S	70_K	0.813	1.00
71_V	74_S	0.812	1.00
133_R	177_V	0.808	1.00
110_H	114_D	0.807	1.00
70_K	73_S	0.805	1.00
50_V	174_F	0.801	1.00
32_F	51_T	0.797	1.00
159_F	179_M	0.794	1.00
7_L	148_E	0.793	1.00
91_A	95_E	0.790	1.00
65_A	71_V	0.790	1.00
40_S	47_T	0.787	1.00
16_N	189_S	0.784	1.00
90_A	94_Y	0.775	1.00
68_Q	72_V	0.774	1.00
41_A	130_E	0.763	1.00
22_P	55_Q	0.759	1.00
28_L	51_T	0.758	1.00
72_V	75_S	0.758	1.00
39_P	153_T	0.755	1.00
108_Y	111_M	0.752	1.00
113_Q	119_Y	0.751	1.00
145_S	148_E	0.750	1.00
79_L	179_M	0.748	1.00
155_P	178_M	0.744	1.00
134_N	157_I	0.741	1.00
170_I	174_F	0.739	1.00
112_V	116_V	0.735	1.00
187_T	190_R	0.733	1.00
140_M	144_L	0.732	1.00
26_E	30_E	0.732	1.00
8_V	34_L	0.731	1.00
14_A	185_E	0.730	1.00
83_D	86_A	0.724	1.00
198_P	201_E	0.720	1.00
96_G	100_L	0.716	1.00
62_K	68_Q	0.716	1.00
94_Y	98_K	0.715	1.00
36_A	49_Y	0.715	1.00
18_L	187_T	0.713	1.00
93_I	96_G	0.712	1.00
30_E	33_E	0.708	1.00
132_I	175_E	0.706	0.99
68_Q	71_V	0.706	0.99
40_S	46_H	0.705	0.99
57_V	168_L	0.704	0.99
58_K	62_K	0.703	0.99
52_V	168_L	0.702	0.99
23_I	28_L	0.698	0.99
90_A	93_I	0.697	0.99
111_M	115_T	0.693	0.99
137_L	141_M	0.691	0.99
88_Q	92_D	0.681	0.99
73_S	76_A	0.677	0.99
162_E	165_K	0.673	0.99
133_R	178_M	0.673	0.99
109_D	112_V	0.673	0.99
115_T	119_Y	0.673	0.99
165_K	170_I	0.670	0.99
103_L	106_Q	0.666	0.99
80_V	139_A	0.666	0.99
106_Q	109_D	0.660	0.99
27_D	31_M	0.660	0.99
161_A	165_K	0.658	0.99
22_P	75_S	0.657	0.99
142_F	153_T	0.657	0.99
170_I	176_V	0.656	0.99
47_T	135_A	0.656	0.99
96_G	99_V	0.655	0.99
156_M	181_T	0.651	0.99
110_H	113_Q	0.650	0.99
117_S	121_N	0.647	0.99
8_V	148_E	0.642	0.99
52_V	61_L	0.637	0.99
65_A	164_V	0.633	0.99
93_I	97_L	0.632	0.99
63_Q	67_G	0.631	0.99
39_P	141_M	0.630	0.99
7_L	150_G	0.627	0.99
159_F	164_V	0.626	0.99
68_Q	163_A	0.624	0.99
64_A	164_V	0.622	0.99
118_F	121_N	0.616	0.99
80_V	84_K	0.615	0.99
103_L	107_E	0.614	0.99
132_I	136_S	0.612	0.99
5_T	148_E	0.612	0.99
139_A	143_M	0.611	0.99
98_K	105_K	0.611	0.99
31_M	145_S	0.611	0.99
164_V	167_I	0.587	0.98
94_Y	99_V	0.583	0.98
130_E	133_R	0.582	0.98
58_K	61_L	0.579	0.98
31_M	34_L	0.579	0.98
78_L	182_I	0.577	0.98
98_K	102_I	0.573	0.98
136_S	140_M	0.572	0.98
24_T	29_N	0.570	0.98
165_K	172_D	0.567	0.98
197_K	202_F	0.565	0.98
161_A	175_E	0.564	0.98
105_K	108_Y	0.561	0.97
102_I	106_Q	0.561	0.97
52_V	57_V	0.560	0.97
12_R	193_R	0.559	0.97
94_Y	97_L	0.556	0.97
51_T	78_L	0.556	0.97
70_K	74_S	0.555	0.97
115_T	118_F	0.553	0.97
8_V	144_L	0.552	0.97
41_A	134_N	0.552	0.97
102_I	107_E	0.552	0.97
61_L	168_L	0.549	0.97
40_S	138_S	0.547	0.97
71_V	77_V	0.546	0.97
85_Q	173_Q	0.544	0.97
74_S	77_V	0.543	0.97
142_F	145_S	0.543	0.97
100_L	106_Q	0.542	0.97
87_Y	127_K	0.541	0.97
57_V	64_A	0.541	0.97
123_G	127_K	0.540	0.97
99_V	102_I	0.539	0.97
78_L	180_I	0.537	0.97
62_K	103_L	0.533	0.97
152_D	155_P	0.532	0.97
144_L	148_E	0.531	0.96
107_E	110_H	0.525	0.96
111_M	114_D	0.523	0.96
138_S	142_F	0.515	0.96
108_Y	112_V	0.514	0.96
4_F	145_S	0.514	0.96
49_Y	202_F	0.512	0.96
16_N	188_E	0.510	0.96
37_L	194_G	0.509	0.96
61_L	179_M	0.509	0.96
122_R	127_K	0.508	0.96
101_G	105_K	0.508	0.96
98_K	103_L	0.507	0.95
37_L	193_R	0.507	0.95
92_D	96_G	0.507	0.95
111_M	116_V	0.506	0.95
101_G	104_N	0.506	0.95
102_I	105_K	0.503	0.95
125_Q	129_D	0.502	0.95
39_P	155_P	0.501	0.95
47_T	202_F	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
3bemA	2	1	100	0.165	Contact Map
3gagA	4	0.9854	100	0.181	Contact Map
3ge6A	2	0.9903	100	0.184	Contact Map
3gbhA	3	0.9903	100	0.191	Contact Map
4qlxA	2	0.9903	100	0.192	Contact Map
3of4A	3	0.9903	100	0.198	Contact Map
1noxA	2	0.9612	100	0.208	Contact Map
2h0uA	2	0.8932	100	0.214	Contact Map
2b67A	2	0.9709	100	0.214	Contact Map
1vfrA	2	0.9951	100	0.216	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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