Q9HQ40 - HALSA - GREMLIN Contacts

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Q9HQ40 - N5,N10-methylenetetrahydromethanopterin reductase

UniProt:	Q9HQ40	Sequences: MGPSGPAVIQGWHGQSFERPLRRTREYIDVVRAVLTGDPVDYDGDLIQTQGFRLRQDAPDPAPAIDVTGMGPKAVELAGRFADGWHALLFTADGIRERLADLRRGMDLGDRDADAVQTTLVVPCCAQPDAAAARDLTRQHLAFYVGGMGEFYRDSLARQGYEAPATDVYDAWQDGDHERAVGLVTDDLLDAFAAAGTQADVRDRLAAFAGIDGVDAVAVSFPRAADNAVIDDTLAAVAPAPAHTP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	245 (233)
Sequences:	9707 (6622)
Seq/√Len:	433.8

ECOLI - SSUD RUTA YHBW
BACSU - YXEK MOXC SSUD YTMO YCEB YDDN YWCH YVBT
HALSA - Q9HQ40 Q9HQZ9
SULSO - Q97Y17

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
130_A	200_D	5.108	1.00
43_D	48_Q	4.016	1.00
25_R	80_R	2.929	1.00
22_R	45_D	2.864	1.00
75_V	101_D	2.811	1.00
204_R	207_A	2.757	1.00
199_A	240_A	2.628	1.00
128_P	236_A	2.563	1.00
206_A	210_G	2.557	1.00
233_T	237_V	2.502	1.00
104_R	108_L	2.385	1.00
76_E	105_G	2.359	1.00
130_A	134_R	2.305	1.00
99_L	103_R	2.239	1.00
19_R	45_D	2.237	1.00
16_S	19_R	2.214	1.00
127_Q	132_A	2.206	1.00
202_R	240_A	2.205	1.00
131_A	135_D	2.193	1.00
130_A	197_T	2.117	1.00
112_D	115_A	2.108	1.00
106_M	116_V	2.089	1.00
96_R	100_A	2.031	1.00
129_D	132_A	2.029	1.00
101_D	105_G	1.990	1.00
197_T	200_D	1.981	1.00
33_A	40_V	1.946	1.00
138_R	142_A	1.904	1.00
76_E	108_L	1.852	1.00
32_R	62_A	1.842	1.00
41_D	50_Q	1.841	1.00
100_A	104_R	1.823	1.00
231_D	235_A	1.764	1.00
7_A	11_G	1.750	1.00
19_R	22_R	1.745	1.00
41_D	51_G	1.727	1.00
22_R	46_L	1.723	1.00
26_E	44_G	1.702	1.00
79_G	105_G	1.658	1.00
207_A	211_I	1.611	1.00
25_R	81_F	1.594	1.00
194_A	201_V	1.591	1.00
29_D	42_Y	1.587	1.00
11_G	50_Q	1.587	1.00
43_D	50_Q	1.587	1.00
80_R	109_G	1.576	1.00
76_E	109_G	1.566	1.00
29_D	81_F	1.541	1.00
232_D	236_A	1.532	1.00
105_G	108_L	1.527	1.00
33_A	37_G	1.500	1.00
206_A	209_A	1.497	1.00
96_R	211_I	1.475	1.00
36_T	62_A	1.467	1.00
26_E	45_D	1.460	1.00
19_R	46_L	1.444	1.00
101_D	104_R	1.410	1.00
106_M	111_R	1.410	1.00
92_A	211_I	1.409	1.00
30_V	42_Y	1.403	1.00
29_D	33_A	1.400	1.00
33_A	38_D	1.385	1.00
176_D	179_R	1.378	1.00
92_A	207_A	1.377	1.00
66_D	84_G	1.355	1.00
33_A	42_Y	1.345	1.00
30_V	47_I	1.344	1.00
136_L	232_D	1.336	1.00
199_A	203_D	1.322	1.00
32_R	81_F	1.318	1.00
76_E	80_R	1.310	1.00
160_G	163_A	1.304	1.00
79_G	109_G	1.293	1.00
132_A	136_L	1.289	1.00
30_V	49_T	1.279	1.00
117_Q	215_D	1.270	1.00
181_V	185_T	1.268	1.00
126_A	198_Q	1.265	1.00
75_V	105_G	1.264	1.00
135_D	138_R	1.243	1.00
236_A	240_A	1.240	1.00
22_R	73_K	1.223	1.00
178_E	181_V	1.223	1.00
200_D	203_D	1.208	1.00
126_A	201_V	1.207	1.00
25_R	29_D	1.203	1.00
105_G	109_G	1.197	1.00
39_P	51_G	1.193	1.00
135_D	139_Q	1.176	1.00
97_E	100_A	1.176	1.00
28_I	81_F	1.174	1.00
34_V	40_V	1.173	1.00
59_P	62_A	1.163	1.00
66_D	119_T	1.151	1.00
127_Q	133_A	1.149	1.00
178_E	182_G	1.148	1.00
126_A	237_V	1.148	1.00
128_P	132_A	1.147	1.00
234_L	238_A	1.139	1.00
230_I	234_L	1.138	1.00
31_V	35_L	1.136	1.00
99_L	118_T	1.131	1.00
72_P	101_D	1.109	1.00
120_L	214_V	1.109	1.00
198_Q	232_D	1.108	1.00
174_D	177_H	1.105	1.00
92_A	96_R	1.097	1.00
91_T	94_G	1.088	1.00
27_Y	31_V	1.081	1.00
137_T	141_L	1.074	1.00
30_V	33_A	1.060	1.00
122_V	205_L	1.056	1.00
18_E	73_K	1.055	1.00
167_D	171_A	1.049	1.00
173_Q	176_D	1.043	1.00
69_G	85_W	1.043	1.00
107_D	113_A	1.030	1.00
172_W	175_G	1.020	1.00
207_A	210_G	1.016	1.00
139_Q	142_A	1.012	1.00
104_R	107_D	1.002	1.00
200_D	204_R	0.999	1.00
72_P	105_G	0.991	1.00
73_K	76_E	0.985	1.00
172_W	176_D	0.978	1.00
131_A	134_R	0.978	1.00
76_E	104_R	0.974	1.00
179_R	187_D	0.969	1.00
228_A	232_D	0.962	1.00
35_L	63_P	0.954	1.00
125_C	136_L	0.951	1.00
134_R	138_R	0.947	1.00
85_W	102_L	0.945	1.00
179_R	182_G	0.939	1.00
128_P	232_D	0.937	1.00
103_R	107_D	0.929	1.00
42_Y	45_D	0.922	1.00
106_M	113_A	0.917	1.00
49_T	52_F	0.916	1.00
32_R	83_D	0.909	1.00
23_R	47_I	0.893	1.00
134_R	137_T	0.889	1.00
59_P	63_P	0.886	1.00
178_E	184_V	0.883	1.00
167_D	170_D	0.881	1.00
93_D	96_R	0.880	1.00
67_V	78_A	0.874	1.00
162_E	165_A	0.873	1.00
42_Y	47_I	0.871	1.00
178_E	187_D	0.865	1.00
37_G	57_D	0.862	1.00
94_G	97_E	0.862	1.00
206_A	240_A	0.853	1.00
228_A	231_D	0.849	1.00
166_T	169_Y	0.846	1.00
203_D	207_A	0.843	1.00
122_V	194_A	0.841	1.00
124_C	219_V	0.839	1.00
25_R	73_K	0.838	1.00
117_Q	216_A	0.836	1.00
206_A	241_P	0.834	1.00
138_R	141_L	0.830	1.00
139_Q	143_F	0.821	1.00
229_V	232_D	0.820	1.00
26_E	42_Y	0.818	1.00
227_N	231_D	0.818	1.00
75_V	102_L	0.816	1.00
163_A	166_T	0.812	1.00
78_A	85_W	0.807	1.00
106_M	109_G	0.806	1.00
196_G	201_V	0.805	1.00
182_G	185_T	0.804	1.00
67_V	82_A	0.802	1.00
102_L	116_V	0.801	1.00
75_V	79_G	0.801	1.00
102_L	118_T	0.798	1.00
170_D	173_Q	0.795	1.00
134_R	190_D	0.794	1.00
172_W	177_H	0.791	1.00
102_L	106_M	0.790	1.00
202_R	206_A	0.788	1.00
77_L	81_F	0.787	1.00
202_R	237_V	0.780	1.00
65_I	82_A	0.778	1.00
80_R	108_L	0.772	1.00
132_A	135_D	0.770	1.00
97_E	101_D	0.770	1.00
87_A	98_R	0.769	1.00
155_S	159_Q	0.769	1.00
41_D	52_F	0.765	1.00
179_R	184_V	0.763	1.00
127_Q	136_L	0.762	1.00
154_D	157_A	0.760	1.00
180_A	184_V	0.759	1.00
73_K	77_L	0.757	1.00
169_Y	173_Q	0.756	1.00
90_F	94_G	0.753	1.00
5_G	8_V	0.753	1.00
103_R	113_A	0.751	1.00
119_T	216_A	0.749	1.00
66_D	216_A	0.746	1.00
180_A	185_T	0.745	1.00
84_G	119_T	0.743	1.00
154_D	159_Q	0.742	1.00
6_P	9_I	0.742	1.00
166_T	170_D	0.741	1.00
79_G	106_M	0.737	1.00
32_R	36_T	0.736	1.00
194_A	205_L	0.733	1.00
155_S	158_R	0.726	1.00
70_M	98_R	0.723	1.00
171_A	175_G	0.722	1.00
168_V	171_A	0.720	1.00
4_S	9_I	0.718	1.00
184_V	187_D	0.717	1.00
21_L	71_G	0.716	1.00
157_A	162_E	0.716	1.00
5_G	9_I	0.711	1.00
39_P	53_R	0.707	1.00
136_L	139_Q	0.699	1.00
126_A	197_T	0.699	1.00
198_Q	236_A	0.697	1.00
129_D	133_A	0.696	1.00
30_V	34_V	0.694	1.00
29_D	32_R	0.694	1.00
29_D	80_R	0.693	1.00
223_R	228_A	0.690	1.00
23_R	27_Y	0.689	1.00
143_F	146_G	0.675	1.00
21_L	77_L	0.672	1.00
181_V	187_D	0.672	1.00
170_D	174_D	0.670	1.00
43_D	46_L	0.668	1.00
203_D	206_A	0.666	1.00
19_R	23_R	0.665	1.00
137_T	195_A	0.663	1.00
104_R	113_A	0.663	1.00
182_G	187_D	0.661	1.00
128_P	198_Q	0.660	1.00
70_M	89_L	0.657	1.00
169_Y	172_W	0.655	0.99
205_L	241_P	0.651	0.99
94_G	98_R	0.650	0.99
23_R	46_L	0.649	0.99
33_A	36_T	0.647	0.99
202_R	241_P	0.647	0.99
103_R	106_M	0.646	0.99
182_G	186_D	0.643	0.99
30_V	40_V	0.641	0.99
192_F	204_R	0.640	0.99
111_R	115_A	0.639	0.99
156_L	160_G	0.637	0.99
173_Q	177_H	0.634	0.99
28_I	65_I	0.630	0.99
124_C	233_T	0.629	0.99
171_A	176_D	0.622	0.99
6_P	10_Q	0.622	0.99
205_L	219_V	0.616	0.99
178_E	185_T	0.613	0.99
76_E	101_D	0.613	0.99
163_A	167_D	0.610	0.99
28_I	32_R	0.610	0.99
164_P	167_D	0.607	0.99
103_R	118_T	0.606	0.99
24_T	77_L	0.605	0.99
128_P	228_A	0.604	0.99
75_V	85_W	0.603	0.99
36_T	61_P	0.602	0.99
137_T	193_A	0.602	0.99
174_D	178_E	0.601	0.99
9_I	12_W	0.598	0.99
93_D	211_I	0.597	0.99
133_A	195_A	0.594	0.99
158_R	161_Y	0.591	0.99
152_Y	156_L	0.590	0.99
5_G	10_Q	0.589	0.99
57_D	60_D	0.588	0.99
155_S	161_Y	0.587	0.99
221_F	233_T	0.585	0.99
34_V	54_L	0.584	0.99
178_E	186_D	0.582	0.99
39_P	50_Q	0.574	0.99
121_V	218_A	0.573	0.99
153_R	157_A	0.572	0.99
112_D	116_V	0.570	0.99
35_L	65_I	0.569	0.99
159_Q	163_A	0.569	0.99
157_A	160_G	0.567	0.99
87_A	95_I	0.567	0.99
126_A	232_D	0.566	0.99
4_S	13_H	0.564	0.98
156_L	159_Q	0.564	0.98
179_R	185_T	0.562	0.98
20_P	69_G	0.562	0.98
121_V	220_S	0.560	0.98
237_V	240_A	0.558	0.98
123_P	222_P	0.557	0.98
179_R	183_L	0.557	0.98
26_E	30_V	0.557	0.98
161_Y	164_P	0.556	0.98
25_R	77_L	0.554	0.98
111_R	116_V	0.553	0.98
208_F	213_G	0.550	0.98
21_L	74_A	0.549	0.98
214_V	217_V	0.549	0.98
38_D	57_D	0.547	0.98
26_E	46_L	0.546	0.98
194_A	204_R	0.544	0.98
180_A	186_D	0.543	0.98
169_Y	174_D	0.543	0.98
171_A	177_H	0.543	0.98
103_R	115_A	0.541	0.98
72_P	76_E	0.541	0.98
127_Q	232_D	0.540	0.98
8_V	11_G	0.537	0.98
142_A	146_G	0.536	0.98
233_T	238_A	0.535	0.98
151_F	154_D	0.535	0.98
106_M	115_A	0.533	0.98
106_M	112_D	0.532	0.98
109_G	112_D	0.532	0.98
100_A	103_R	0.532	0.98
95_I	208_F	0.529	0.98
28_I	77_L	0.529	0.98
89_L	95_I	0.528	0.98
67_V	74_A	0.526	0.98
30_V	44_G	0.525	0.98
130_A	133_A	0.523	0.98
124_C	194_A	0.523	0.98
27_Y	47_I	0.522	0.98
159_Q	162_E	0.522	0.98
12_W	52_F	0.520	0.97
99_L	102_L	0.519	0.97
123_P	220_S	0.516	0.97
183_L	186_D	0.514	0.97
181_V	186_D	0.512	0.97
180_A	183_L	0.508	0.97
84_G	117_Q	0.508	0.97
170_D	175_G	0.508	0.97
124_C	201_V	0.507	0.97
93_D	207_A	0.507	0.97
146_G	149_G	0.506	0.97
7_A	10_Q	0.504	0.97
66_D	117_Q	0.503	0.97
198_Q	202_R	0.502	0.97
150_E	153_R	0.501	0.97
64_A	117_Q	0.501	0.97
154_D	158_R	0.501	0.97
53_R	57_D	0.501	0.97
129_D	135_D	0.500	0.97

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
1ezwA	3	0.9673	100	0.273	Contact Map
1z69A	4	0.951	100	0.293	Contact Map
1lucA	1	0.8694	100	0.299	Contact Map
3sdoA	2	0.9918	100	0.301	Contact Map
1tvlA	2	0.8612	100	0.302	Contact Map
2wgkA	2	0.9633	100	0.309	Contact Map
2i7gA	2	0.9143	100	0.312	Contact Map
3b9oA	2	0.9796	100	0.314	Contact Map
3c8nA	2	0.9102	100	0.315	Contact Map
1rhcA	2	0.902	100	0.319	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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