MOAA - BACSU - GREMLIN Contacts

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MOAA - Cyclic pyranopterin monophosphate synthase

UniProt:	P39757	Sequences: MITESRQMLDKRNRPLRDLRISVTDRCNFRCTYCMPAELFGPDYPFLKKEELLSFEELERLATLFVTRFGVEKIRLTGGEPLMRKDMPELIKKLARIPGIRDIAMTTNGSLLPVYAKRLKEAGLKRVTISLDSLEDERFKKINGRGVSVSKVLEGIEAAKQAGLGVKINMVVQKGVNEKDILPMARYFKEKGHILRFIEFMDVGNTNQWEKKDVMTKAEIIDLINKHMPVEPIAPNYIGEVASRFRYLDGSGEIGVISSVSDAFCGSCNRARLSARGELFTCLFASSGFDLRAPVRQELSDDELSEMIGTVWKNRIDQYSVDRTLSKASGKKKVEMSYIGG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	341 (280)
Sequences:	10539 (7913)
Seq/√Len:	472.9

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
29_F	110_S	4.220	1.00
157_E	191_K	3.614	1.00
59_E	93_K	3.493	1.00
135_E	150_S	2.981	1.00
63_T	93_K	2.759	1.00
54_S	57_E	2.696	1.00
117_K	162_A	2.526	1.00
278_E	290_D	2.515	1.00
57_E	295_V	2.512	1.00
88_P	118_R	2.462	1.00
28_N	108_N	2.424	1.00
88_P	115_Y	2.404	1.00
63_T	97_I	2.355	1.00
114_V	158_A	2.329	1.00
138_R	180_D	2.302	1.00
117_K	121_E	2.277	1.00
158_A	161_Q	2.236	1.00
95_A	125_K	2.219	1.00
60_R	64_L	2.175	1.00
170_M	184_M	2.083	1.00
278_E	293_A	2.072	1.00
19_L	65_F	2.039	1.00
132_D	143_N	2.034	1.00
62_A	94_L	2.007	1.00
115_Y	118_R	1.970	1.00
264_F	282_C	1.958	1.00
180_D	183_P	1.934	1.00
113_P	154_E	1.930	1.00
168_I	188_F	1.914	1.00
134_L	180_D	1.855	1.00
149_V	187_Y	1.806	1.00
26_R	52_L	1.798	1.00
55_F	89_E	1.781	1.00
76_L	94_L	1.766	1.00
149_V	153_L	1.762	1.00
118_R	121_E	1.757	1.00
300_S	303_E	1.744	1.00
157_E	160_K	1.741	1.00
150_S	154_E	1.689	1.00
93_K	96_R	1.685	1.00
33_Y	132_D	1.670	1.00
134_L	138_R	1.666	1.00
86_D	89_E	1.664	1.00
186_R	190_E	1.655	1.00
28_N	111_L	1.650	1.00
158_A	162_A	1.646	1.00
58_L	90_L	1.635	1.00
154_E	157_E	1.616	1.00
290_D	293_A	1.611	1.00
274_S	280_F	1.599	1.00
92_K	96_R	1.577	1.00
89_E	92_K	1.574	1.00
294_P	307_M	1.559	1.00
151_K	154_E	1.535	1.00
55_F	59_E	1.535	1.00
55_F	86_D	1.527	1.00
57_E	60_R	1.527	1.00
157_E	161_Q	1.525	1.00
82_L	105_M	1.521	1.00
133_S	138_R	1.521	1.00
183_P	186_R	1.511	1.00
109_G	129_I	1.503	1.00
186_R	227_H	1.485	1.00
92_K	118_R	1.481	1.00
68_R	305_S	1.479	1.00
274_S	278_E	1.471	1.00
59_E	63_T	1.441	1.00
135_E	180_D	1.440	1.00
187_Y	191_K	1.425	1.00
66_V	97_I	1.420	1.00
140_K	146_G	1.414	1.00
129_I	156_I	1.412	1.00
32_T	141_K	1.412	1.00
127_V	159_A	1.410	1.00
182_L	226_K	1.405	1.00
114_V	161_Q	1.403	1.00
175_G	178_E	1.398	1.00
93_K	97_I	1.396	1.00
160_K	192_G	1.390	1.00
129_I	155_G	1.381	1.00
95_A	103_I	1.364	1.00
23_V	76_L	1.354	1.00
293_A	296_R	1.321	1.00
174_K	219_E	1.320	1.00
136_D	146_G	1.316	1.00
17_R	72_E	1.315	1.00
32_T	144_G	1.314	1.00
74_I	94_L	1.304	1.00
136_D	150_S	1.303	1.00
59_E	89_E	1.301	1.00
139_F	152_V	1.300	1.00
66_V	100_I	1.294	1.00
138_R	179_K	1.292	1.00
221_I	225_N	1.284	1.00
152_V	155_G	1.250	1.00
160_K	191_K	1.248	1.00
118_R	122_A	1.243	1.00
106_T	128_T	1.230	1.00
153_L	157_E	1.226	1.00
116_A	120_K	1.218	1.00
297_Q	301_D	1.199	1.00
84_R	90_L	1.191	1.00
170_M	195_L	1.183	1.00
264_F	268_C	1.177	1.00
82_L	111_L	1.176	1.00
91_I	124_L	1.174	1.00
218_A	222_D	1.173	1.00
222_D	226_K	1.172	1.00
299_L	303_E	1.168	1.00
52_L	84_R	1.166	1.00
298_E	301_D	1.164	1.00
160_K	193_H	1.163	1.00
305_S	309_G	1.161	1.00
94_L	103_I	1.155	1.00
139_F	148_S	1.153	1.00
153_L	187_Y	1.147	1.00
21_I	58_L	1.144	1.00
306_E	309_G	1.134	1.00
306_E	310_T	1.132	1.00
138_R	141_K	1.131	1.00
222_D	225_N	1.111	1.00
120_K	162_A	1.107	1.00
168_I	193_H	1.102	1.00
76_L	103_I	1.101	1.00
140_K	148_S	1.096	1.00
135_E	140_K	1.096	1.00
60_R	301_D	1.088	1.00
23_V	87_M	1.088	1.00
279_L	302_D	1.085	1.00
117_K	158_A	1.084	1.00
186_R	189_K	1.074	1.00
114_V	162_A	1.073	1.00
64_L	298_E	1.059	1.00
134_L	187_Y	1.058	1.00
76_L	91_I	1.051	1.00
141_K	175_G	1.049	1.00
62_A	74_I	1.046	1.00
116_A	158_A	1.044	1.00
127_V	164_L	1.039	1.00
89_E	93_K	1.034	1.00
154_E	158_A	1.031	1.00
55_F	93_K	1.027	1.00
142_I	173_Q	1.025	1.00
223_L	226_K	1.024	1.00
302_D	305_S	1.024	1.00
133_S	149_V	1.017	1.00
53_L	57_E	1.014	1.00
21_I	273_L	1.012	1.00
216_T	219_E	1.003	1.00
153_L	191_K	0.999	1.00
139_F	143_N	0.998	1.00
116_A	155_G	0.997	1.00
51_E	276_R	0.986	1.00
156_I	193_H	0.986	1.00
225_N	229_P	0.980	1.00
62_A	97_I	0.980	1.00
160_K	166_V	0.972	1.00
82_L	87_M	0.970	1.00
28_N	80_E	0.965	1.00
105_M	124_L	0.964	1.00
116_A	162_A	0.963	1.00
128_T	169_N	0.960	1.00
120_K	164_L	0.959	1.00
61_L	273_L	0.954	1.00
219_E	223_L	0.953	1.00
135_E	138_R	0.952	1.00
148_S	151_K	0.952	1.00
300_S	304_L	0.947	1.00
65_F	71_V	0.947	1.00
87_M	91_I	0.947	1.00
88_P	122_A	0.945	1.00
59_E	96_R	0.944	1.00
172_V	181_I	0.943	1.00
135_E	183_P	0.941	1.00
182_L	186_R	0.938	1.00
113_P	158_A	0.932	1.00
25_D	275_A	0.930	1.00
219_E	222_D	0.926	1.00
280_F	290_D	0.925	1.00
88_P	92_K	0.924	1.00
65_F	74_I	0.922	1.00
230_V	234_A	0.922	1.00
297_Q	302_D	0.922	1.00
159_A	166_V	0.919	1.00
156_I	168_I	0.916	1.00
265_C	268_C	0.902	1.00
24_T	52_L	0.901	1.00
90_L	94_L	0.897	1.00
73_K	102_D	0.892	1.00
91_I	122_A	0.888	1.00
155_G	158_A	0.884	1.00
145_R	148_S	0.883	1.00
65_F	308_I	0.873	1.00
19_L	271_A	0.867	1.00
73_K	104_A	0.864	1.00
145_R	151_K	0.858	1.00
86_D	90_L	0.855	1.00
188_F	195_L	0.854	1.00
87_M	105_M	0.854	1.00
216_T	220_I	0.850	1.00
102_D	126_R	0.847	1.00
156_I	166_V	0.847	1.00
19_L	273_L	0.847	1.00
55_F	90_L	0.841	1.00
129_I	159_A	0.840	1.00
265_C	282_C	0.840	1.00
33_Y	142_I	0.839	1.00
186_R	230_V	0.839	1.00
188_F	193_H	0.839	1.00
35_M	77_T	0.837	1.00
182_L	227_H	0.835	1.00
194_I	253_E	0.834	1.00
60_R	63_T	0.834	1.00
53_L	292_R	0.832	1.00
303_E	307_M	0.831	1.00
140_K	145_R	0.827	1.00
151_K	155_G	0.824	1.00
133_S	180_D	0.823	1.00
112_L	129_I	0.818	1.00
134_L	183_P	0.813	1.00
230_V	233_I	0.813	1.00
302_D	306_E	0.805	1.00
130_S	171_V	0.804	1.00
307_M	310_T	0.803	1.00
112_L	155_G	0.795	1.00
23_V	90_L	0.793	1.00
59_E	97_I	0.790	1.00
102_D	125_K	0.790	1.00
303_E	306_E	0.787	1.00
29_F	148_S	0.783	1.00
92_K	121_E	0.777	1.00
150_S	153_L	0.776	1.00
295_V	298_E	0.774	1.00
60_R	295_V	0.772	1.00
95_A	123_G	0.770	1.00
120_K	125_K	0.768	1.00
301_D	305_S	0.767	1.00
140_K	143_N	0.765	1.00
62_A	100_I	0.762	1.00
22_S	77_T	0.762	1.00
133_S	143_N	0.760	1.00
224_I	227_H	0.756	1.00
28_N	110_S	0.756	1.00
165_G	194_I	0.752	1.00
159_A	164_L	0.747	1.00
88_P	91_I	0.744	1.00
53_L	58_L	0.743	1.00
221_I	256_V	0.740	1.00
17_R	269_N	0.740	1.00
184_M	195_L	0.740	1.00
160_K	194_I	0.738	1.00
80_E	108_N	0.737	1.00
21_I	62_A	0.737	1.00
75_R	104_A	0.734	1.00
82_L	155_G	0.733	1.00
182_L	223_L	0.728	1.00
107_T	129_I	0.728	1.00
231_E	234_A	0.725	1.00
140_K	149_V	0.723	1.00
115_Y	120_K	0.722	1.00
22_S	272_R	0.720	1.00
247_Y	250_G	0.719	1.00
76_L	90_L	0.717	1.00
92_K	122_A	0.715	1.00
53_L	61_L	0.713	1.00
120_K	123_G	0.712	1.00
271_A	299_L	0.712	1.00
139_F	149_V	0.710	1.00
217_K	220_I	0.703	1.00
283_L	286_S	0.703	1.00
113_P	155_G	0.697	1.00
56_E	59_E	0.697	1.00
298_E	303_E	0.695	1.00
112_L	159_A	0.694	1.00
217_K	258_S	0.686	1.00
24_T	84_R	0.685	1.00
84_R	87_M	0.683	1.00
244_R	248_L	0.679	1.00
246_R	249_D	0.672	1.00
55_F	84_R	0.668	1.00
105_M	127_V	0.662	1.00
117_K	120_K	0.658	1.00
22_S	275_A	0.657	1.00
23_V	84_R	0.657	1.00
187_Y	190_E	0.655	1.00
177_N	180_D	0.655	1.00
91_I	103_I	0.654	1.00
168_I	195_L	0.653	1.00
20_R	77_T	0.650	1.00
131_L	168_I	0.649	1.00
136_D	140_K	0.648	1.00
115_Y	119_L	0.647	1.00
56_E	93_K	0.645	1.00
74_I	100_I	0.645	1.00
264_F	267_S	0.641	1.00
217_K	221_I	0.641	1.00
133_S	139_F	0.640	1.00
185_A	247_Y	0.640	1.00
184_M	188_F	0.640	1.00
169_N	198_I	0.639	1.00
210_E	213_D	0.638	1.00
74_I	103_I	0.638	1.00
226_K	230_V	0.637	1.00
114_V	117_K	0.636	1.00
155_G	159_A	0.634	1.00
106_T	169_N	0.634	1.00
220_I	224_I	0.634	1.00
231_E	246_R	0.633	1.00
32_T	142_I	0.631	1.00
133_S	136_D	0.629	1.00
231_E	235_P	0.627	0.99
110_S	145_R	0.627	0.99
69_F	305_S	0.626	0.99
128_T	167_K	0.624	0.99
100_I	103_I	0.624	0.99
241_V	244_R	0.624	0.99
213_D	216_T	0.618	0.99
62_A	76_L	0.617	0.99
58_L	84_R	0.616	0.99
111_L	114_V	0.613	0.99
227_H	230_V	0.612	0.99
136_D	149_V	0.611	0.99
224_I	228_M	0.611	0.99
18_D	73_K	0.611	0.99
27_C	31_C	0.608	0.99
20_R	270_R	0.608	0.99
95_A	122_A	0.607	0.99
80_E	83_M	0.606	0.99
194_I	244_R	0.605	0.99
229_P	232_P	0.600	0.99
294_P	297_Q	0.599	0.99
64_L	301_D	0.598	0.99
182_L	185_A	0.597	0.99
305_S	308_I	0.597	0.99
231_E	248_L	0.596	0.99
170_M	188_F	0.595	0.99
97_I	100_I	0.594	0.99
31_C	34_C	0.594	0.99
77_T	283_L	0.593	0.99
64_L	300_S	0.593	0.99
61_L	65_F	0.593	0.99
94_L	97_I	0.592	0.99
227_H	231_E	0.592	0.99
273_L	279_L	0.591	0.99
29_F	139_F	0.590	0.99
104_A	126_R	0.588	0.99
60_R	298_E	0.588	0.99
220_I	227_H	0.587	0.99
113_P	151_K	0.586	0.99
182_L	230_V	0.586	0.99
144_G	148_S	0.584	0.99
129_I	152_V	0.582	0.99
64_L	69_F	0.582	0.99
258_S	262_D	0.581	0.99
82_L	115_Y	0.580	0.99
27_C	34_C	0.580	0.99
218_A	221_I	0.578	0.99
181_I	197_F	0.578	0.99
58_L	62_A	0.577	0.99
64_L	68_R	0.576	0.99
297_Q	305_S	0.574	0.99
281_T	289_F	0.574	0.99
279_L	299_L	0.574	0.99
228_M	232_P	0.572	0.99
185_A	195_L	0.571	0.99
110_S	151_K	0.570	0.99
126_R	167_K	0.566	0.99
292_R	302_D	0.565	0.99
75_R	106_T	0.564	0.99
121_E	162_A	0.564	0.99
131_L	149_V	0.562	0.99
131_L	153_L	0.562	0.99
94_L	100_I	0.561	0.99
298_E	302_D	0.560	0.99
64_L	305_S	0.560	0.99
77_T	169_N	0.559	0.99
242_A	245_F	0.558	0.99
301_D	304_L	0.558	0.99
21_I	61_L	0.552	0.99
36_P	77_T	0.552	0.99
135_E	149_V	0.549	0.99
69_F	309_G	0.549	0.99
215_M	220_I	0.546	0.99
131_L	152_V	0.544	0.99
108_N	111_L	0.542	0.99
252_G	255_G	0.540	0.98
22_S	36_P	0.539	0.98
77_T	106_T	0.539	0.98
110_S	155_G	0.538	0.98
171_V	198_I	0.536	0.98
272_R	283_L	0.536	0.98
246_R	251_S	0.535	0.98
58_L	61_L	0.535	0.98
19_L	71_V	0.534	0.98
33_Y	143_N	0.531	0.98
23_V	58_L	0.530	0.98
33_Y	36_P	0.528	0.98
135_E	179_K	0.525	0.98
132_D	171_V	0.525	0.98
56_E	60_R	0.524	0.98
84_R	89_E	0.522	0.98
233_I	236_N	0.520	0.98
242_A	246_R	0.520	0.98
20_R	272_R	0.519	0.98
57_E	61_L	0.516	0.98
278_E	292_R	0.514	0.98
281_T	285_A	0.513	0.98
112_L	119_L	0.512	0.98
82_L	112_L	0.511	0.98
61_L	64_L	0.509	0.98
64_L	304_L	0.509	0.98
254_I	257_I	0.507	0.98
166_V	193_H	0.507	0.98
243_S	248_L	0.505	0.98
241_V	245_F	0.505	0.98
220_I	223_L	0.505	0.98
29_F	145_R	0.504	0.98
278_E	288_G	0.502	0.98
179_K	223_L	0.501	0.98
38_E	205_N	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
1tv8A	2	0.9501	100	0.339	Contact Map
4k36A	1	0.9179	100	0.436	Contact Map
4m7tA	1	0.6833	100	0.526	Contact Map
3c8fA	1	0.6598	100	0.604	Contact Map
4rtbA	2	0.8622	100	0.618	Contact Map
2a5hA	4	0.8534	99.9	0.624	Contact Map
2yx0A	1	0.7419	99.9	0.63	Contact Map
2z2uA	1	0.6422	99.9	0.634	Contact Map
2qgqA	1	0.739	99.9	0.641	Contact Map
3rfaA	1	0.7361	99.9	0.641	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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