Q9HHN7 - HALSA - GREMLIN Contacts

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Q9HHN7 - 7-carboxy-7-deazaguanine synthase

UniProt:	Q9HHN7	Sequences: MPVSETTDRQASNGGDGPALPINELFYSLQGEGKLAGTPSVFVRTSGCNLRCWFCDSYHTSWEPTHATMSVDDIIAEVQSYEHADHVVLTGGEPLLHDDAVVLLDRLAALGYHTTVETNGTIHRDAPIDLASVSPKLASSTPTAETDPKGDGEWAARHDARRIDVATLGALADDYDTQLKFVVTDPSDMPEIESLLAEIRTATDTRIGDEDVVLMPEGTTHAELDARRNEVATLAMEHGYRYTPRLHVALWNDAPET	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	257 (202)
Sequences:	1925 (1282)
Seq/√Len:	90.2

ECOLI - QUEE
BACSU - QUEE
HALSA - Q9HHN7
SULSO - Q97ZQ9

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
77_E	80_S	4.469	1.00
79_Q	110_L	3.359	1.00
189_M	238_H	3.317	1.00
49_N	119_N	3.282	1.00
193_E	238_H	3.111	1.00
72_D	106_R	3.009	1.00
186_P	190_P	2.465	1.00
54_F	184_T	2.437	1.00
27_Y	84_A	2.288	1.00
235_A	242_Y	2.233	1.00
34_K	178_Q	2.205	1.00
38_T	241_R	2.191	1.00
40_S	88_V	2.158	1.00
69_M	77_E	2.078	1.00
73_D	76_A	2.001	1.00
186_P	234_L	2.000	1.00
40_S	86_H	1.998	1.00
22_I	69_M	1.985	1.00
43_V	78_V	1.946	1.00
229_N	233_T	1.913	1.00
139_S	185_D	1.906	1.00
25_L	74_I	1.887	1.00
184_T	217_E	1.876	1.00
244_P	249_A	1.844	1.00
67_A	77_E	1.826	1.00
49_N	121_T	1.817	1.00
54_F	137_L	1.764	1.00
108_A	114_T	1.745	1.00
45_T	89_L	1.743	1.00
57_S	60_T	1.741	1.00
233_T	237_E	1.709	1.00
38_T	113_H	1.707	1.00
124_R	131_A	1.703	1.00
194_S	198_E	1.696	1.00
108_A	129_D	1.657	1.00
72_D	76_A	1.647	1.00
25_L	41_V	1.623	1.00
229_N	232_A	1.604	1.00
19_A	68_T	1.594	1.00
40_S	115_T	1.573	1.00
70_S	73_D	1.571	1.00
41_V	78_V	1.560	1.00
41_V	81_Y	1.535	1.00
49_N	96_L	1.534	1.00
36_A	246_L	1.529	1.00
21_P	97_H	1.513	1.00
228_R	232_A	1.474	1.00
132_S	178_Q	1.464	1.00
69_M	74_I	1.460	0.99
194_S	197_A	1.457	0.99
190_P	193_E	1.441	0.99
25_L	69_M	1.437	0.99
245_R	248_V	1.428	0.99
189_M	193_E	1.418	0.99
232_A	250_L	1.413	0.99
87_V	107_L	1.382	0.99
49_N	122_I	1.381	0.99
50_L	119_N	1.381	0.99
27_Y	81_Y	1.363	0.99
77_E	81_Y	1.357	0.99
189_M	234_L	1.339	0.99
25_L	77_E	1.334	0.99
75_I	106_R	1.333	0.99
213_V	241_R	1.315	0.99
139_S	184_T	1.312	0.99
115_T	132_S	1.281	0.99
23_N	65_T	1.271	0.99
35_L	113_H	1.266	0.99
86_H	115_T	1.265	0.99
25_L	43_V	1.264	0.99
172_A	176_D	1.259	0.98
75_I	79_Q	1.239	0.98
105_D	109_A	1.237	0.98
131_A	172_A	1.219	0.98
215_M	245_R	1.216	0.98
43_V	87_V	1.215	0.98
115_T	178_Q	1.174	0.98
137_L	191_E	1.168	0.98
100_A	104_L	1.146	0.97
231_V	235_A	1.146	0.97
190_P	194_S	1.145	0.97
232_A	236_M	1.142	0.97
34_K	211_D	1.140	0.97
71_V	106_R	1.123	0.97
88_V	115_T	1.119	0.97
79_Q	112_Y	1.103	0.96
45_T	100_A	1.096	0.96
192_I	214_L	1.087	0.96
215_M	218_G	1.086	0.96
20_L	45_T	1.080	0.96
58_Y	62_W	1.068	0.96
29_L	232_A	1.062	0.96
19_A	70_S	1.049	0.95
188_D	192_I	1.049	0.95
233_T	236_M	1.047	0.95
23_N	60_T	1.046	0.95
106_R	110_L	1.040	0.95
23_N	46_S	1.018	0.94
33_G	88_V	1.016	0.94
20_L	68_T	1.016	0.94
230_E	233_T	1.016	0.94
82_E	239_G	1.014	0.94
195_L	198_E	1.012	0.94
108_A	128_I	1.005	0.94
105_D	127_P	1.002	0.94
71_V	75_I	1.002	0.94
234_L	238_H	0.999	0.94
76_A	79_Q	0.991	0.94
212_V	215_M	0.990	0.94
34_K	132_S	0.985	0.93
46_S	66_H	0.976	0.93
74_I	77_E	0.964	0.93
168_L	195_L	0.941	0.92
186_P	237_E	0.940	0.92
85_D	112_Y	0.940	0.92
36_A	243_T	0.937	0.92
75_I	110_L	0.937	0.92
166_A	169_G	0.934	0.92
164_D	167_T	0.934	0.92
235_A	240_Y	0.931	0.91
235_A	239_G	0.924	0.91
27_Y	236_M	0.920	0.91
99_D	102_V	0.919	0.91
86_H	113_H	0.916	0.91
21_P	68_T	0.913	0.91
35_L	132_S	0.913	0.91
196_L	212_V	0.909	0.90
124_R	133_V	0.895	0.90
87_V	112_Y	0.892	0.90
232_A	235_A	0.889	0.89
165_V	198_E	0.885	0.89
23_N	59_H	0.882	0.89
138_A	191_E	0.878	0.89
133_V	168_L	0.873	0.89
38_T	86_H	0.868	0.88
89_L	114_T	0.864	0.88
163_I	167_T	0.860	0.88
123_H	166_A	0.857	0.88
30_Q	135_P	0.857	0.88
35_L	178_Q	0.840	0.87
30_Q	115_T	0.831	0.86
193_E	197_A	0.831	0.86
20_L	71_V	0.828	0.86
107_L	114_T	0.828	0.86
137_L	184_T	0.828	0.86
137_L	217_E	0.823	0.85
96_L	122_I	0.817	0.85
54_F	243_T	0.817	0.85
35_L	86_H	0.809	0.84
20_L	100_A	0.808	0.84
35_L	115_T	0.807	0.84
76_A	237_E	0.806	0.84
164_D	170_A	0.805	0.84
75_I	80_S	0.805	0.84
135_P	195_L	0.804	0.84
89_L	104_L	0.786	0.83
187_S	190_P	0.786	0.83
71_V	102_V	0.785	0.83
103_L	107_L	0.785	0.83
167_T	171_L	0.784	0.83
232_A	237_E	0.778	0.82
116_V	128_I	0.775	0.82
104_L	114_T	0.773	0.82
168_L	177_T	0.772	0.82
106_R	109_A	0.771	0.81
207_I	210_E	0.767	0.81
89_L	100_A	0.764	0.81
22_I	45_T	0.762	0.81
88_V	134_S	0.761	0.81
69_M	73_D	0.759	0.80
101_V	104_L	0.754	0.80
69_M	82_E	0.751	0.80
21_P	66_H	0.751	0.80
108_A	126_A	0.744	0.79
124_R	167_T	0.743	0.79
183_V	214_L	0.740	0.79
45_T	115_T	0.733	0.78
188_D	231_V	0.727	0.78
130_L	178_Q	0.724	0.77
22_I	25_L	0.723	0.77
62_W	65_T	0.723	0.77
81_Y	84_A	0.719	0.77
227_R	231_V	0.717	0.77
28_S	90_T	0.717	0.77
88_V	243_T	0.716	0.76
121_T	142_P	0.713	0.76
193_E	240_Y	0.706	0.75
178_Q	213_V	0.702	0.75
27_Y	82_E	0.701	0.75
76_A	166_A	0.700	0.75
27_Y	39_P	0.698	0.75
50_L	93_E	0.698	0.75
231_V	237_E	0.697	0.75
137_L	181_F	0.695	0.74
68_T	99_D	0.694	0.74
79_Q	106_R	0.689	0.74
165_V	199_I	0.687	0.73
116_V	131_A	0.685	0.73
40_S	90_T	0.684	0.73
26_F	246_L	0.682	0.73
200_R	208_G	0.682	0.73
22_I	43_V	0.681	0.73
75_I	78_V	0.677	0.72
36_A	250_L	0.674	0.72
107_L	112_Y	0.673	0.72
67_A	73_D	0.671	0.72
35_L	130_L	0.670	0.72
87_V	114_T	0.670	0.72
51_R	62_W	0.668	0.71
164_D	171_L	0.664	0.71
234_L	237_E	0.661	0.71
185_D	193_E	0.660	0.70
195_L	199_I	0.651	0.69
214_L	217_E	0.647	0.69
215_M	243_T	0.646	0.69
130_L	172_A	0.644	0.69
76_A	80_S	0.644	0.69
208_G	211_D	0.639	0.68
217_E	220_T	0.637	0.68
45_T	97_H	0.636	0.68
220_T	223_E	0.634	0.67
113_H	241_R	0.633	0.67
78_V	107_L	0.632	0.67
229_N	235_A	0.632	0.67
78_V	110_L	0.629	0.67
19_A	113_H	0.629	0.67
46_S	97_H	0.628	0.67
171_L	177_T	0.628	0.67
54_F	134_S	0.626	0.66
200_R	207_I	0.621	0.66
105_D	126_A	0.620	0.66
177_T	215_M	0.615	0.65
50_L	145_E	0.613	0.65
93_E	119_N	0.610	0.64
24_E	28_S	0.610	0.64
47_G	60_T	0.606	0.64
62_W	66_H	0.606	0.64
231_V	234_L	0.601	0.63
89_L	103_L	0.598	0.63
215_M	242_Y	0.596	0.63
76_A	170_A	0.591	0.62
196_L	200_R	0.585	0.61
36_A	244_P	0.585	0.61
95_L	180_K	0.582	0.61
62_W	119_N	0.582	0.61
88_V	132_S	0.582	0.61
98_D	101_V	0.582	0.61
211_D	214_L	0.581	0.61
54_F	135_P	0.580	0.61
167_T	177_T	0.580	0.61
26_F	42_F	0.579	0.60
166_A	194_S	0.576	0.60
135_P	164_D	0.575	0.60
133_V	179_L	0.575	0.60
185_D	191_E	0.574	0.60
102_V	105_D	0.574	0.60
35_L	38_T	0.571	0.59
41_V	84_A	0.569	0.59
245_R	249_A	0.569	0.59
218_G	248_V	0.564	0.58
187_S	222_A	0.564	0.58
166_A	170_A	0.562	0.58
193_E	237_E	0.561	0.58
46_S	62_W	0.556	0.57
71_V	103_L	0.555	0.57
47_G	87_V	0.554	0.57
135_P	191_E	0.552	0.57
60_T	181_F	0.549	0.56
38_T	85_D	0.545	0.56
28_S	54_F	0.543	0.56
33_G	178_Q	0.541	0.55
131_A	175_Y	0.539	0.55
26_F	31_G	0.538	0.55
213_V	218_G	0.537	0.55
97_H	100_A	0.537	0.55
166_A	172_A	0.534	0.54
216_P	220_T	0.533	0.54
46_S	63_E	0.531	0.54
227_R	230_E	0.530	0.54
41_V	112_Y	0.529	0.54
25_L	81_Y	0.528	0.54
74_I	100_A	0.525	0.53
213_V	216_P	0.522	0.53
120_G	133_V	0.520	0.52
51_R	111_G	0.520	0.52
44_R	117_E	0.519	0.52
98_D	103_L	0.514	0.52
53_W	220_T	0.514	0.52
44_R	56_D	0.513	0.51
56_D	117_E	0.513	0.51
72_D	110_L	0.513	0.51
217_E	223_E	0.512	0.51
244_P	248_V	0.511	0.51
76_A	197_A	0.511	0.51
129_D	132_S	0.509	0.51
38_T	213_V	0.508	0.51
79_Q	102_V	0.508	0.51
54_F	60_T	0.506	0.51
43_V	74_I	0.504	0.50
101_V	116_V	0.504	0.50
79_Q	169_G	0.503	0.50
33_G	38_T	0.503	0.50
72_D	102_V	0.500	0.50

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
4njhA	2	0.7354	100	0.485	Contact Map
3c8fA	1	0.8054	99.9	0.717	Contact Map
3rfaA	1	0.9027	99.7	0.776	Contact Map
2yx0A	1	0.9183	99.6	0.79	Contact Map
1tv8A	2	0.8366	99.6	0.791	Contact Map
2z2uA	1	0.8482	99.6	0.797	Contact Map
2a5hA	4	0.8833	99.5	0.813	Contact Map
2qgqA	1	0.7004	99.4	0.814	Contact Map
3canA	2	0.5681	99.4	0.821	Contact Map
4k36A	1	0.7821	99.3	0.825	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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