MOAA - HALSA - GREMLIN Contacts

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MOAA - Probable cyclic pyranopterin monophosphate synthase

UniProt:	Q9HST4	Sequences: MLEDDFGRDVSGVRVSLTDRCNFDCVYCHNEGLGDTRGPIDPRENELSTDRVVRFLSVAHEFGVDAVKLTGGEPMLRSDLEAIIRRTPDDMAVSMTTNGTFLPGRAADLVDAGLERVNISQDAMDNDAFAELTQSGAYDAVLEGVEAALDAGLAPVKLNMVVFEPTAGYVPEMVDHVAARDGLRLQLIEYMPELAGHPEWAIDIDRVHDWLADRADRIETREMHDRRRYWVSSRDAGSTADDAAQSVTPDGGAHPDQGMVEIVDPVGNPQFCANCHRVRLTHDGYLKGCLNRNDDLRGIGETTQSMRAAFRETVANRVPYYGEYMTRTDDGGWEINDDYLDVEGDRDPYEYAADDSA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	357 (290)
Sequences:	8998 (6879)
Seq/√Len:	403.9

ECOLI - MOAA ASLB YDEM
BACSU - ALBA SKFB MOAA YYDG
HALSA - MOAA Q9HQF5
SULSO - Q97XA7 MOAA Q97XS8 Q97XS7 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
23_F	100_T	4.278	1.00
53_V	86_R	3.665	1.00
57_S	86_R	2.981	1.00
126_N	139_D	2.883	1.00
48_S	51_R	2.659	1.00
107_A	111_D	2.624	1.00
88_P	115_E	2.483	1.00
130_A	136_G	2.433	1.00
147_A	150_D	2.432	1.00
128_A	169_Y	2.384	1.00
22_N	98_N	2.383	1.00
81_E	105_R	2.348	1.00
81_E	108_D	2.348	1.00
104_G	147_A	2.313	1.00
125_D	139_D	2.311	1.00
285_Y	295_D	2.206	1.00
13_V	59_A	2.202	1.00
160_M	173_M	2.168	1.00
103_P	143_E	2.167	1.00
54_R	58_V	2.139	1.00
56_L	87_T	2.067	1.00
122_D	133_T	2.061	1.00
285_Y	298_G	1.998	1.00
107_A	151_A	1.989	1.00
65_D	91_M	1.985	1.00
138_Y	142_L	1.983	1.00
51_R	302_T	1.981	1.00
305_S	308_A	1.979	1.00
169_Y	172_E	1.968	1.00
105_R	108_D	1.958	1.00
271_F	289_C	1.941	1.00
146_E	180_R	1.939	1.00
302_T	305_S	1.937	1.00
171_P	217_R	1.901	1.00
158_L	177_V	1.866	1.00
125_D	169_Y	1.862	1.00
49_T	79_D	1.850	1.00
52_V	83_I	1.799	1.00
60_H	90_D	1.793	1.00
85_R	108_D	1.771	1.00
108_D	111_D	1.765	1.00
146_E	149_L	1.745	1.00
61_E	307_R	1.732	1.00
69_L	87_T	1.717	1.00
86_R	89_D	1.714	1.00
124_M	169_Y	1.701	1.00
49_T	82_A	1.670	1.00
172_E	175_D	1.657	1.00
139_D	143_E	1.656	1.00
79_D	82_A	1.651	1.00
126_N	136_G	1.651	1.00
295_D	298_G	1.648	1.00
119_I	145_V	1.628	1.00
146_E	150_D	1.626	1.00
175_D	179_A	1.618	1.00
20_R	46_E	1.616	1.00
110_V	151_A	1.616	1.00
22_N	101_F	1.612	1.00
85_R	89_D	1.612	1.00
82_A	85_R	1.598	1.00
304_Q	308_A	1.595	1.00
49_T	53_V	1.593	1.00
27_Y	122_D	1.591	1.00
124_M	128_A	1.591	1.00
84_I	114_L	1.565	1.00
143_E	146_E	1.544	1.00
146_E	181_D	1.535	1.00
128_A	168_G	1.534	1.00
147_A	151_A	1.517	1.00
140_A	143_E	1.512	1.00
119_I	144_G	1.502	1.00
11_S	65_D	1.491	1.00
99_G	119_I	1.490	1.00
26_V	131_E	1.489	1.00
207_V	210_W	1.484	1.00
53_V	82_A	1.482	1.00
138_Y	176_H	1.480	1.00
281_T	287_K	1.459	1.00
164_E	210_W	1.452	1.00
106_A	147_A	1.448	1.00
104_G	150_D	1.446	1.00
75_M	95_M	1.426	1.00
53_V	57_S	1.425	1.00
51_R	54_R	1.411	1.00
88_P	93_V	1.407	1.00
123_A	128_A	1.396	1.00
67_V	87_T	1.392	1.00
281_T	285_Y	1.386	1.00
17_L	80_L	1.360	1.00
17_L	69_L	1.355	1.00
129_F	141_V	1.346	1.00
149_L	181_D	1.345	1.00
56_L	67_V	1.332	1.00
308_A	312_E	1.326	1.00
307_R	311_R	1.321	1.00
106_A	144_G	1.316	1.00
69_L	84_I	1.294	1.00
216_D	220_T	1.290	1.00
175_D	228_R	1.280	1.00
117_V	148_A	1.266	1.00
75_M	101_F	1.248	1.00
160_M	185_L	1.247	1.00
15_V	280_L	1.245	1.00
149_L	183_L	1.241	1.00
108_D	112_A	1.238	1.00
299_I	309_A	1.230	1.00
128_A	131_E	1.213	1.00
96_T	118_N	1.212	1.00
58_V	305_S	1.211	1.00
15_V	52_V	1.209	1.00
213_D	217_R	1.193	1.00
87_T	93_V	1.192	1.00
149_L	156_V	1.184	1.00
177_V	182_G	1.174	1.00
142_L	146_E	1.170	1.00
110_V	153_L	1.162	1.00
54_R	303_T	1.160	1.00
131_E	165_P	1.144	1.00
77_R	83_I	1.143	1.00
215_A	218_I	1.141	1.00
45_N	283_D	1.128	1.00
58_V	307_R	1.118	1.00
125_D	172_E	1.112	1.00
127_D	131_E	1.107	1.00
53_V	89_D	1.107	1.00
129_F	137_A	1.106	1.00
130_A	137_A	1.105	1.00
49_T	86_R	1.104	1.00
103_P	147_A	1.092	1.00
141_V	144_G	1.085	1.00
206_R	210_W	1.077	1.00
212_A	216_D	1.074	1.00
59_A	64_V	1.067	1.00
211_L	214_R	1.065	1.00
82_A	86_R	1.056	1.00
149_L	182_G	1.055	1.00
22_N	73_E	1.054	1.00
217_R	220_T	1.052	1.00
304_Q	312_E	1.047	1.00
46_E	77_R	1.042	1.00
313_T	317_R	1.032	1.00
117_V	153_L	1.027	1.00
49_T	83_I	1.027	1.00
213_D	216_D	1.021	1.00
75_M	80_L	1.015	1.00
83_I	87_T	1.011	1.00
55_F	280_L	1.010	1.00
184_R	259_M	1.010	1.00
143_E	147_A	1.007	1.00
137_A	140_A	1.002	1.00
286_L	309_A	0.999	1.00
88_P	112_A	0.999	1.00
125_D	128_A	0.998	1.00
80_L	84_I	0.993	1.00
209_D	213_D	0.989	1.00
123_A	138_Y	0.986	1.00
314_V	317_R	0.986	1.00
126_N	138_Y	0.985	1.00
162_V	170_V	0.983	1.00
215_A	219_E	0.982	1.00
142_L	176_H	0.974	1.00
144_G	147_A	0.974	1.00
19_D	282_H	0.973	1.00
148_A	156_V	0.973	1.00
322_G	325_M	0.959	1.00
95_M	114_L	0.953	1.00
104_G	151_A	0.948	1.00
158_L	182_G	0.947	1.00
145_V	156_V	0.942	1.00
62_F	307_R	0.936	1.00
102_L	144_G	0.934	1.00
27_Y	132_L	0.932	1.00
315_A	319_P	0.928	1.00
79_D	83_I	0.926	1.00
230_W	233_S	0.925	1.00
229_Y	233_S	0.925	1.00
278_V	306_M	0.920	1.00
163_F	166_T	0.918	1.00
102_L	106_A	0.915	1.00
58_V	306_M	0.912	1.00
85_R	112_A	0.909	1.00
298_G	302_T	0.909	1.00
287_K	295_D	0.908	1.00
66_A	94_S	0.906	1.00
271_F	275_C	0.899	1.00
118_N	159_N	0.897	1.00
84_I	112_A	0.895	1.00
210_W	213_D	0.891	1.00
124_M	176_H	0.891	1.00
59_A	67_V	0.890	1.00
212_A	215_A	0.889	1.00
18_T	46_E	0.886	1.00
239_T	242_D	0.884	1.00
106_A	110_V	0.880	1.00
317_R	321_Y	0.879	1.00
59_A	310_F	0.876	1.00
211_L	215_A	0.875	1.00
171_P	175_D	0.870	1.00
106_A	151_A	0.866	1.00
47_L	51_R	0.859	1.00
139_D	142_L	0.858	1.00
241_D	245_Q	0.852	1.00
92_A	116_R	0.848	1.00
148_A	153_L	0.847	1.00
92_A	115_E	0.845	1.00
13_V	278_V	0.842	1.00
66_A	92_A	0.842	1.00
97_T	119_I	0.841	1.00
125_D	130_A	0.825	1.00
295_D	299_I	0.819	1.00
54_R	57_S	0.819	1.00
240_A	243_A	0.819	1.00
208_H	212_A	0.818	1.00
176_H	180_R	0.817	1.00
243_A	247_V	0.816	1.00
75_M	144_G	0.816	1.00
69_L	93_V	0.816	1.00
216_D	219_E	0.811	1.00
73_E	98_N	0.810	1.00
306_M	310_F	0.806	1.00
50_D	53_V	0.801	1.00
15_V	56_L	0.801	1.00
119_I	148_A	0.792	1.00
319_P	322_G	0.790	1.00
17_L	83_I	0.788	1.00
126_N	130_A	0.786	1.00
107_A	110_V	0.786	1.00
170_V	187_L	0.784	1.00
85_R	111_D	0.784	1.00
13_V	280_L	0.784	1.00
207_V	211_L	0.782	1.00
73_E	76_L	0.780	1.00
232_S	248_T	0.780	1.00
211_L	218_I	0.772	1.00
81_E	112_A	0.770	1.00
102_L	148_A	0.768	1.00
123_A	169_Y	0.767	1.00
175_D	180_R	0.765	1.00
132_L	163_F	0.764	1.00
123_A	133_T	0.764	1.00
95_M	109_L	0.764	1.00
102_L	109_L	0.763	1.00
58_V	61_E	0.759	1.00
107_A	147_A	0.757	1.00
120_S	161_V	0.756	1.00
16_S	279_R	0.753	1.00
175_D	178_A	0.749	1.00
22_N	100_T	0.744	1.00
205_D	208_H	0.742	1.00
145_V	183_L	0.742	1.00
121_Q	158_L	0.741	1.00
140_A	144_G	0.737	1.00
129_F	133_T	0.735	1.00
110_V	115_E	0.735	1.00
54_R	302_T	0.734	1.00
90_D	93_V	0.734	1.00
142_L	180_R	0.731	1.00
60_H	91_M	0.730	1.00
125_D	168_G	0.730	1.00
56_L	69_L	0.728	1.00
272_C	289_C	0.728	1.00
305_S	309_A	0.727	1.00
26_V	134_Q	0.727	1.00
62_F	311_R	0.725	1.00
246_S	249_P	0.722	1.00
279_R	290_L	0.721	1.00
171_P	174_V	0.721	1.00
81_E	84_I	0.719	1.00
145_V	158_L	0.717	1.00
144_G	148_A	0.712	1.00
286_L	306_M	0.709	1.00
130_A	138_Y	0.707	1.00
75_M	109_L	0.702	1.00
103_P	144_G	0.700	1.00
21_C	25_C	0.700	1.00
249_P	252_G	0.700	1.00
23_F	137_A	0.699	1.00
130_A	135_S	0.698	1.00
17_L	52_V	0.696	1.00
50_D	86_R	0.693	1.00
116_R	155_P	0.692	1.00
228_R	232_S	0.690	1.00
214_R	218_I	0.690	1.00
29_H	70_T	0.685	1.00
208_H	264_D	0.680	0.99
229_Y	232_S	0.680	0.99
14_R	70_T	0.680	0.99
81_E	85_R	0.679	0.99
110_V	152_G	0.677	0.99
308_A	311_R	0.673	0.99
278_V	310_F	0.672	0.99
103_P	140_A	0.671	0.99
201_A	204_I	0.671	0.99
57_S	61_E	0.671	0.99
298_G	303_T	0.665	0.99
177_V	185_L	0.664	0.99
70_T	290_L	0.663	0.99
105_R	109_L	0.662	0.99
16_S	282_H	0.661	0.99
27_Y	133_T	0.661	0.99
297_R	309_A	0.660	0.99
280_L	286_L	0.660	0.99
31_E	134_Q	0.659	0.99
21_C	28_C	0.656	0.99
18_T	77_R	0.656	0.99
123_A	129_F	0.655	0.99
100_T	144_G	0.652	0.99
16_S	70_T	0.649	0.99
47_L	284_G	0.649	0.99
118_N	157_K	0.648	0.99
208_H	211_L	0.646	0.99
95_M	117_V	0.642	0.99
316_N	320_Y	0.642	0.99
248_T	252_G	0.642	0.99
173_M	185_L	0.639	0.99
77_R	80_L	0.638	0.99
242_D	246_S	0.635	0.99
75_M	105_R	0.631	0.99
23_F	129_F	0.630	0.99
80_L	95_M	0.629	0.99
101_F	104_G	0.627	0.99
25_C	28_C	0.626	0.99
11_S	276_H	0.626	0.99
69_L	83_I	0.625	0.99
68_K	94_S	0.622	0.99
55_F	58_V	0.621	0.99
244_A	248_T	0.617	0.99
316_N	319_P	0.615	0.99
49_T	77_R	0.615	0.99
220_T	228_R	0.614	0.99
52_V	77_R	0.614	0.99
171_P	220_T	0.613	0.99
310_F	314_V	0.613	0.99
238_S	241_D	0.612	0.99
129_F	136_G	0.612	0.99
77_R	82_A	0.610	0.99
248_T	251_G	0.607	0.99
174_V	249_P	0.606	0.99
252_G	257_Q	0.606	0.99
129_F	138_Y	0.605	0.99
98_N	101_F	0.603	0.99
206_R	212_A	0.603	0.99
315_A	318_V	0.602	0.99
96_T	159_N	0.601	0.99
242_D	245_Q	0.600	0.99
68_K	96_T	0.600	0.99
232_S	250_D	0.600	0.99
209_D	212_A	0.599	0.99
311_R	315_A	0.597	0.99
84_I	93_V	0.597	0.99
30_N	70_T	0.594	0.99
149_L	180_R	0.593	0.99
228_R	231_V	0.591	0.99
96_T	290_L	0.591	0.99
312_E	316_N	0.590	0.99
310_F	319_P	0.589	0.99
55_F	59_A	0.589	0.99
14_R	277_R	0.588	0.99
243_A	246_S	0.587	0.99
240_A	244_A	0.586	0.99
26_V	132_L	0.581	0.98
240_A	246_S	0.581	0.98
241_D	244_A	0.581	0.98
102_L	119_I	0.580	0.98
159_N	290_L	0.579	0.98
313_T	316_N	0.576	0.98
10_V	310_F	0.573	0.98
27_Y	161_V	0.571	0.98
159_N	188_I	0.569	0.98
287_K	293_N	0.568	0.98
104_G	107_A	0.564	0.98
67_V	91_M	0.563	0.98
161_V	188_I	0.561	0.98
16_S	30_N	0.560	0.98
273_A	289_C	0.558	0.98
93_V	114_L	0.557	0.98
121_Q	142_L	0.556	0.98
204_I	208_H	0.556	0.98
304_Q	309_A	0.551	0.98
130_A	133_T	0.547	0.98
52_V	55_F	0.547	0.98
212_A	219_E	0.545	0.98
127_D	130_A	0.544	0.98
17_L	77_R	0.543	0.98
106_A	148_A	0.543	0.98
242_D	249_P	0.542	0.98
93_V	115_E	0.542	0.98
320_Y	323_E	0.542	0.98
24_D	29_H	0.542	0.98
174_V	178_A	0.539	0.97
70_T	96_T	0.538	0.97
245_Q	251_G	0.538	0.97
243_A	249_P	0.538	0.97
49_T	52_V	0.537	0.97
96_T	291_N	0.537	0.97
67_V	93_V	0.536	0.97
239_T	243_A	0.536	0.97
51_R	55_F	0.535	0.97
124_M	172_E	0.534	0.97
244_A	250_D	0.532	0.97
18_T	72_G	0.531	0.97
122_D	129_F	0.531	0.97
100_T	140_A	0.530	0.97
288_G	292_R	0.529	0.97
309_A	312_E	0.529	0.97
12_G	66_A	0.528	0.97
73_E	97_T	0.526	0.97
168_G	213_D	0.524	0.97
56_L	60_H	0.523	0.97
202_I	205_D	0.523	0.97
134_Q	137_A	0.522	0.97
158_L	185_L	0.519	0.97
121_Q	138_Y	0.519	0.97
306_M	309_A	0.518	0.97
160_M	177_V	0.518	0.97
73_E	99_G	0.517	0.97
168_G	171_P	0.517	0.97
121_Q	141_V	0.516	0.97
75_M	102_L	0.515	0.97
116_R	157_K	0.513	0.97
188_I	191_M	0.512	0.97
87_T	91_M	0.511	0.96
170_V	214_R	0.511	0.96
312_E	315_A	0.509	0.96
314_V	319_P	0.508	0.96
47_L	52_V	0.508	0.96
201_A	205_D	0.504	0.96
50_D	54_R	0.503	0.96
51_R	58_V	0.502	0.96
70_T	159_N	0.501	0.96
27_Y	30_N	0.501	0.96
145_V	148_A	0.501	0.96
14_R	290_L	0.501	0.96
16_S	290_L	0.501	0.96
246_S	259_M	0.500	0.96

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
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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	0.8964	100	0.408	Contact Map
1tv8A	2	0.8711	100	0.424	Contact Map
4m7tA	1	0.6471	100	0.504	Contact Map
3c8fA	1	0.6134	100	0.588	Contact Map
4rtbA	2	0.8207	100	0.596	Contact Map
2yx0A	1	0.6863	99.9	0.617	Contact Map
4wcxA	1	0.8739	99.9	0.625	Contact Map
2z2uA	1	0.5966	99.9	0.629	Contact Map
2qgqA	1	0.7115	99.9	0.629	Contact Map
3rfaA	1	0.6611	99.9	0.636	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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