MOAA - SULSO - GREMLIN Contacts

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MOAA - Probable cyclic pyranopterin monophosphate synthase

UniProt:	Q980F0	Sequences: MIDRFGRPLEDLRITLTHACNFECFFCHMEGEEGDNYLLSKEDILLVAKVARKFGINSVKLTGGEPTLRRDLVEIVRGLKQLGYEDVSMTTNGFLLKDLAHKLKLAGLDRINISLHAVSRDTFKKITGVDAFDRVIEGIKSAIDVGLVPVKLNFVVNRRNREEAFKFIELSQNLGVNEIHLIELHPVGLGKLAFKEHDDLREIEEYIEKISIKKLIRKKHFRPRYVLPSGLIVEVVKPYANPIFCAGCNRIRLSVDGKLKTCLYREDNVIDVLDILKGEYSEDVKEELLGRAFMIAIAIREPNFKYKI	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	308 (274)
Sequences:	11641 (8826)
Seq/√Len:	533.2

ECOLI - MOAA ASLB YDEM
BACSU - ALBA MOAA SKFB YYDG
HALSA - MOAA Q9HQF5 Q9HQF7
SULSO - MOAA Q97XA7 Q97XS7 Q97XS8 Q97XA6 Q7LXV3 Q97XZ2 Q97Y04 Q97WC3 Q980E0 Q97WK5 Q980Q0

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
22_F	94_F	4.220	1.00
45_L	78_G	3.579	1.00
140_K	174_L	3.566	1.00
245_C	262_C	2.907	1.00
101_H	145_V	2.778	1.00
119_S	133_D	2.761	1.00
73_V	102_K	2.731	1.00
49_K	78_G	2.727	1.00
40_S	43_D	2.581	1.00
21_N	92_N	2.574	1.00
43_D	276_L	2.479	1.00
97_K	141_S	2.452	1.00
49_K	82_L	2.384	1.00
141_S	144_D	2.325	1.00
122_T	163_E	2.214	1.00
101_H	105_L	2.211	1.00
80_K	109_D	2.193	1.00
116_H	127_T	2.185	1.00
258_K	274_D	2.147	1.00
73_V	99_L	2.081	1.00
46_L	50_V	2.075	1.00
99_L	102_K	2.065	1.00
258_K	271_D	2.049	1.00
12_L	51_A	1.974	1.00
154_F	167_F	1.972	1.00
124_K	130_D	1.960	1.00
48_A	79_L	1.935	1.00
163_E	166_K	1.905	1.00
152_L	171_S	1.903	1.00
78_G	81_Q	1.808	1.00
19_A	38_L	1.786	1.00
132_F	136_I	1.777	1.00
41_K	74_E	1.770	1.00
44_I	75_I	1.767	1.00
74_E	77_R	1.746	1.00
118_V	163_E	1.741	1.00
132_F	170_L	1.734	1.00
71_D	74_E	1.728	1.00
102_K	105_L	1.723	1.00
21_N	95_L	1.710	1.00
141_S	145_V	1.690	1.00
118_V	122_T	1.673	1.00
61_L	79_L	1.671	1.00
93_G	113_I	1.650	1.00
137_E	140_K	1.639	1.00
77_R	102_K	1.617	1.00
119_S	163_E	1.615	1.00
26_F	116_H	1.614	1.00
41_K	45_L	1.593	1.00
117_A	122_T	1.589	1.00
140_K	143_I	1.579	1.00
102_K	106_A	1.572	1.00
254_S	260_K	1.568	1.00
254_S	258_K	1.562	1.00
133_D	137_E	1.561	1.00
279_E	282_E	1.559	1.00
43_D	46_L	1.556	1.00
170_L	174_L	1.531	1.00
169_E	173_N	1.527	1.00
166_K	169_E	1.524	1.00
67_T	89_M	1.510	1.00
165_F	209_K	1.509	1.00
140_K	144_D	1.505	1.00
113_I	138_G	1.498	1.00
271_D	274_D	1.497	1.00
41_K	71_D	1.490	1.00
78_G	82_L	1.486	1.00
134_R	137_E	1.468	1.00
158_R	202_E	1.467	1.00
278_G	282_E	1.460	1.00
52_R	82_L	1.460	1.00
77_R	81_Q	1.448	1.00
143_I	175_G	1.436	1.00
125_K	159_R	1.416	1.00
25_F	125_K	1.405	1.00
45_L	49_K	1.375	1.00
104_K	145_V	1.370	1.00
169_E	210_I	1.370	1.00
80_K	87_V	1.364	1.00
113_I	139_I	1.358	1.00
135_V	138_G	1.357	1.00
10_E	57_N	1.354	1.00
97_K	144_D	1.347	1.00
274_D	277_K	1.344	1.00
97_K	137_E	1.341	1.00
100_A	104_K	1.331	1.00
100_A	141_S	1.322	1.00
123_F	135_V	1.317	1.00
59_V	79_L	1.300	1.00
205_E	209_K	1.296	1.00
143_I	174_L	1.294	1.00
67_T	95_L	1.265	1.00
122_T	162_E	1.264	1.00
38_L	69_R	1.261	1.00
90_T	112_N	1.255	1.00
16_L	61_L	1.253	1.00
275_I	288_L	1.238	1.00
136_I	140_K	1.237	1.00
52_R	84_Y	1.236	1.00
45_L	74_E	1.232	1.00
79_L	87_V	1.232	1.00
123_F	131_A	1.225	1.00
50_V	279_E	1.210	1.00
61_L	76_V	1.208	1.00
199_D	202_E	1.201	1.00
154_F	179_I	1.199	1.00
259_L	283_D	1.197	1.00
61_L	87_V	1.188	1.00
111_I	142_A	1.184	1.00
69_R	75_I	1.176	1.00
76_V	108_L	1.172	1.00
136_I	170_L	1.155	1.00
137_E	141_S	1.154	1.00
100_A	138_G	1.146	1.00
204_E	208_E	1.143	1.00
122_T	125_K	1.125	1.00
14_I	44_I	1.110	1.00
124_K	131_A	1.108	1.00
281_S	284_V	1.097	1.00
39_L	43_D	1.082	1.00
143_I	176_V	1.081	1.00
202_E	205_E	1.079	1.00
126_I	157_N	1.057	1.00
206_Y	209_K	1.056	1.00
152_L	176_V	1.053	1.00
280_Y	284_V	1.053	1.00
73_V	77_R	1.045	1.00
169_E	213_K	1.043	1.00
201_R	205_E	1.042	1.00
169_E	172_Q	1.042	1.00
16_L	72_L	1.041	1.00
278_G	283_D	1.035	1.00
165_F	169_E	1.026	1.00
41_K	78_G	1.022	1.00
100_A	145_V	1.022	1.00
205_E	208_E	1.016	1.00
202_E	206_Y	1.015	1.00
51_A	59_V	1.014	1.00
118_V	170_L	1.013	1.00
74_E	78_G	1.010	1.00
119_S	124_K	1.005	1.00
121_D	125_K	1.003	1.00
117_A	132_F	0.990	1.00
50_V	54_F	0.988	1.00
104_K	147_L	0.987	1.00
171_S	176_V	0.985	1.00
119_S	166_K	0.982	1.00
112_N	153_N	0.980	1.00
97_K	145_V	0.972	1.00
67_T	72_L	0.970	1.00
143_I	150_V	0.969	1.00
45_L	81_Q	0.965	1.00
39_L	44_I	0.963	1.00
281_S	285_K	0.960	1.00
48_A	82_L	0.954	1.00
139_I	176_V	0.953	1.00
138_G	141_S	0.953	1.00
26_F	126_I	0.951	1.00
131_A	134_R	0.950	1.00
119_S	122_T	0.949	1.00
53_K	286_E	0.946	1.00
76_V	106_A	0.946	1.00
18_H	255_V	0.946	1.00
113_I	142_A	0.932	1.00
72_L	76_V	0.924	1.00
80_K	106_A	0.923	1.00
58_S	88_S	0.921	1.00
136_I	174_L	0.915	1.00
221_F	225_Y	0.912	1.00
48_A	59_V	0.909	1.00
77_R	106_A	0.905	1.00
111_I	147_L	0.897	1.00
37_Y	256_D	0.894	1.00
14_I	253_L	0.893	1.00
41_K	75_I	0.891	1.00
282_E	286_E	0.890	1.00
28_H	62_T	0.888	1.00
16_L	75_I	0.883	1.00
123_F	127_T	0.879	1.00
21_N	65_E	0.879	1.00
178_E	232_I	0.878	1.00
114_S	155_V	0.872	1.00
58_S	86_D	0.866	1.00
47_V	253_L	0.865	1.00
72_L	89_M	0.858	1.00
12_L	251_I	0.858	1.00
51_A	56_I	0.855	1.00
96_L	138_G	0.852	1.00
171_S	179_I	0.852	1.00
46_L	276_L	0.852	1.00
98_D	101_H	0.846	1.00
17_T	38_L	0.843	1.00
89_M	108_L	0.842	1.00
86_D	110_R	0.841	1.00
156_V	164_A	0.840	1.00
209_K	213_K	0.839	1.00
278_G	286_E	0.838	1.00
59_V	84_Y	0.831	1.00
25_F	126_I	0.831	1.00
115_L	152_L	0.829	1.00
139_I	152_L	0.828	1.00
45_L	82_L	0.828	1.00
46_L	49_K	0.827	1.00
71_D	75_I	0.826	1.00
39_L	47_V	0.823	1.00
65_E	92_N	0.821	1.00
15_T	62_T	0.819	1.00
134_R	138_G	0.817	1.00
142_A	147_L	0.816	1.00
139_I	150_V	0.809	1.00
50_V	53_K	0.806	1.00
21_N	94_F	0.802	1.00
101_H	104_K	0.801	1.00
92_N	95_L	0.800	1.00
124_K	132_F	0.798	1.00
101_H	141_S	0.798	1.00
223_P	228_P	0.797	1.00
142_A	150_V	0.796	1.00
96_L	113_I	0.795	1.00
118_V	166_K	0.794	1.00
223_P	227_L	0.790	1.00
75_I	79_L	0.786	1.00
12_L	253_L	0.786	1.00
213_K	217_R	0.785	1.00
133_D	136_I	0.785	1.00
67_T	99_L	0.785	1.00
208_E	212_I	0.783	1.00
170_L	173_N	0.777	1.00
213_K	216_I	0.771	1.00
89_M	111_I	0.769	1.00
207_I	210_I	0.768	1.00
86_D	109_D	0.768	1.00
65_E	68_L	0.763	1.00
236_V	239_Y	0.760	1.00
167_F	179_I	0.758	1.00
67_T	138_G	0.757	1.00
98_D	102_K	0.757	1.00
16_L	69_R	0.754	1.00
48_A	84_Y	0.754	1.00
273_L	283_D	0.750	1.00
10_E	249_N	0.746	1.00
117_A	163_E	0.742	1.00
260_K	271_D	0.742	1.00
97_K	100_A	0.741	1.00
76_V	87_V	0.736	1.00
123_F	132_F	0.729	1.00
199_D	203_I	0.728	1.00
70_R	73_V	0.727	1.00
104_K	109_D	0.726	1.00
96_L	142_A	0.724	1.00
276_L	279_E	0.723	1.00
42_E	45_L	0.720	1.00
152_L	179_I	0.717	1.00
99_L	103_L	0.713	1.00
17_T	69_R	0.712	1.00
49_K	53_K	0.711	1.00
167_F	171_S	0.710	1.00
41_K	69_R	0.709	1.00
200_L	203_I	0.708	1.00
60_K	88_S	0.702	1.00
91_T	113_I	0.697	1.00
73_V	106_A	0.696	1.00
211_S	214_K	0.694	1.00
46_L	282_E	0.694	1.00
22_F	131_A	0.686	1.00
193_A	196_E	0.684	1.00
20_C	24_C	0.683	1.00
200_L	204_E	0.676	1.00
73_V	76_V	0.675	1.00
15_T	255_V	0.674	1.00
234_E	240_A	0.671	1.00
60_K	90_T	0.670	1.00
89_M	103_L	0.670	1.00
251_I	280_Y	0.670	1.00
258_K	268_N	0.670	1.00
14_I	48_A	0.670	1.00
222_R	225_Y	0.669	1.00
221_F	224_R	0.668	1.00
216_I	219_K	0.666	1.00
77_R	105_L	0.666	1.00
138_G	142_A	0.665	1.00
15_T	252_R	0.662	1.00
62_T	90_T	0.654	1.00
44_I	69_R	0.654	1.00
261_T	265_R	0.653	1.00
87_V	108_L	0.652	1.00
203_I	207_I	0.649	1.00
117_A	127_T	0.649	1.00
96_L	100_A	0.645	1.00
39_L	273_L	0.640	1.00
13_R	250_R	0.638	1.00
24_C	27_C	0.637	1.00
90_T	153_N	0.636	1.00
165_F	206_Y	0.634	1.00
104_K	146_G	0.634	1.00
62_T	263_L	0.634	1.00
200_L	237_K	0.632	1.00
26_F	127_T	0.630	1.00
90_T	263_L	0.629	1.00
20_C	27_C	0.628	1.00
124_K	129_V	0.628	1.00
275_I	280_Y	0.627	1.00
13_R	62_T	0.626	1.00
165_F	210_I	0.626	1.00
252_R	263_L	0.624	1.00
154_F	171_S	0.623	1.00
260_K	268_N	0.621	1.00
117_A	123_F	0.619	1.00
124_K	127_T	0.619	1.00
13_R	263_L	0.617	1.00
110_R	149_P	0.617	1.00
201_R	204_E	0.615	1.00
61_L	75_I	0.614	1.00
44_I	47_V	0.612	1.00
112_N	151_K	0.612	1.00
14_I	47_V	0.611	1.00
253_L	259_L	0.611	1.00
104_K	107_G	0.611	1.00
150_V	176_V	0.610	1.00
165_F	213_K	0.609	1.00
214_K	217_R	0.608	1.00
59_V	87_V	0.608	1.00
273_L	278_G	0.608	1.00
236_V	240_A	0.606	1.00
79_L	82_L	0.604	1.00
225_Y	229_S	0.604	1.00
165_F	168_I	0.603	1.00
246_A	262_C	0.601	1.00
160_N	163_E	0.601	1.00
220_H	224_R	0.600	1.00
94_F	134_R	0.600	1.00
96_L	103_L	0.597	1.00
97_K	101_H	0.596	1.00
222_R	226_V	0.592	1.00
84_Y	87_V	0.590	0.99
69_R	72_L	0.590	0.99
168_I	172_Q	0.590	0.99
234_E	237_K	0.590	0.99
203_I	206_Y	0.588	0.99
11_D	58_S	0.587	0.99
50_V	281_S	0.584	0.99
279_E	284_V	0.584	0.99
25_F	128_G	0.582	0.99
115_L	135_V	0.582	0.99
198_D	202_E	0.582	0.99
119_S	162_E	0.581	0.99
115_L	136_I	0.581	0.99
211_S	215_L	0.581	0.99
284_V	287_E	0.580	0.99
240_A	245_C	0.579	0.99
204_E	235_V	0.578	0.99
235_V	238_P	0.578	0.99
9_L	284_V	0.578	0.99
29_M	62_T	0.575	0.99
161_R	202_E	0.573	0.99
42_E	46_L	0.571	0.99
282_E	285_K	0.569	0.99
113_I	135_V	0.569	0.99
30_E	128_G	0.568	0.99
184_L	190_G	0.567	0.99
168_I	179_I	0.565	0.99
218_K	221_F	0.564	0.99
115_L	132_F	0.563	0.99
99_L	104_K	0.561	0.99
226_V	229_S	0.561	0.99
198_D	203_I	0.557	0.99
31_G	189_L	0.555	0.99
233_V	237_K	0.554	0.99
283_D	286_E	0.553	0.99
147_L	150_V	0.553	0.99
65_E	91_T	0.553	0.99
47_V	51_A	0.552	0.99
22_F	123_F	0.551	0.99
48_A	61_L	0.551	0.99
12_L	56_I	0.549	0.99
137_E	144_D	0.548	0.99
153_N	182_I	0.548	0.99
95_L	98_D	0.542	0.99
65_E	93_G	0.540	0.99
16_L	44_I	0.539	0.99
127_T	130_D	0.538	0.99
251_I	284_V	0.538	0.99
69_R	74_E	0.538	0.99
42_E	78_G	0.538	0.99
212_I	215_L	0.538	0.99
80_K	107_G	0.535	0.99
279_E	283_D	0.528	0.99
46_L	279_E	0.528	0.99
15_T	29_M	0.528	0.99
83_G	87_V	0.527	0.99
88_S	110_R	0.526	0.99
225_Y	228_P	0.526	0.99
110_R	151_K	0.523	0.99
94_F	138_G	0.523	0.99
221_F	227_L	0.522	0.99
62_T	153_N	0.518	0.99
70_R	99_L	0.517	0.99
234_E	238_P	0.516	0.99
204_E	207_I	0.515	0.99
35_D	38_L	0.513	0.99
121_D	124_K	0.512	0.99
56_I	84_Y	0.509	0.99
44_I	48_A	0.509	0.99
220_H	227_L	0.509	0.99
50_V	280_Y	0.506	0.98
158_R	199_D	0.504	0.98
154_F	164_A	0.501	0.98
221_F	226_V	0.501	0.98
275_I	278_G	0.500	0.98
90_T	264_Y	0.500	0.98
26_F	155_V	0.500	0.98

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
4k36A	1	0.961	100	0.332	Contact Map
1tv8A	2	0.961	100	0.347	Contact Map
4m7tA	1	0.7175	100	0.441	Contact Map
3c8fA	1	0.6981	100	0.541	Contact Map
4rtbA	2	0.9286	100	0.556	Contact Map
2yx0A	1	0.7825	100	0.568	Contact Map
2z2uA	1	0.6851	99.9	0.581	Contact Map
2a5hA	4	0.8994	99.9	0.596	Contact Map
4wcxA	1	0.9383	99.9	0.597	Contact Map
2qgqA	1	0.8084	99.9	0.598	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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