MOEB - BACSU - GREMLIN Contacts

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MOEB - Molybdopterin-synthase adenylyltransferase

UniProt:	O31702	Sequences: MEERYSRQIRFKQIGEEGQKRLADSHVLIVGAGALGTAGAEGLSRAGVGTITIIDRDYVEWSNLQRQQLYTESDAKLRMPKAMAAKEHLSAINSEIHIEAYVTEGTAETLEPLIEKADVVIDATDNFETRMLINDLAQKTKTPWVYGACVSSQGMFMTVIPGETPCLSCLFEQIPVGGATCDTAGIIPPAVHIVSAYQQAEALKLLTGQKEAIQRGFVTFDVWNNSHMKINVNHVRREECPSCGANAVYPYLQDWNTPKAAVLCGRDTVQVRSESLKRIPKQELIKRLKTIGKVEANAFLLHIFYEDFRIVIFNDGRALVHGTNDVKEANSVLARVIGL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	339 (298)
Sequences:	1949 (1326)
Seq/√Len:	76.8

ECOLI - THIF MOEB TCDA
BACSU - MOEB THIF TCDA
HALSA - Q9HST5
SULSO - Q980J4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
50_T	97_H	4.334	1.00
120_V	137_A	4.176	1.00
86_K	90_S	4.065	1.00
79_M	87_E	3.749	1.00
44_S	96_I	3.690	1.00
119_V	202_A	3.620	1.00
32_A	53_I	3.610	1.00
29_I	40_A	3.538	1.00
166_C	169_C	3.445	1.00
72_E	94_S	3.398	1.00
121_I	202_A	3.369	1.00
26_H	50_T	3.294	1.00
240_C	243_C	3.281	1.00
86_K	100_A	3.238	1.00
70_Y	84_A	3.101	1.00
89_L	98_I	3.057	1.00
166_C	240_C	2.986	1.00
166_C	243_C	2.977	1.00
50_T	99_E	2.970	1.00
37_T	69_L	2.795	1.00
201_E	204_K	2.756	1.00
73_S	91_A	2.716	1.00
69_L	85_A	2.476	1.00
169_C	243_C	2.447	1.00
26_H	52_T	2.410	1.00
71_T	88_H	2.369	1.00
147_G	194_V	2.355	1.00
169_C	240_C	2.316	1.00
56_R	104_E	2.262	1.00
39_G	121_I	2.238	1.00
80_P	102_V	2.237	1.00
52_T	117_A	2.221	1.00
260_A	263_L	2.088	1.00
116_K	142_T	2.056	1.00
71_T	91_A	2.014	1.00
22_L	203_L	1.986	1.00
145_V	202_A	1.980	1.00
14_I	18_G	1.947	1.00
259_K	263_L	1.935	1.00
25_S	206_L	1.901	1.00
30_V	133_I	1.892	1.00
82_A	102_V	1.881	1.00
44_S	51_I	1.746	1.00
285_I	289_K	1.726	1.00
135_D	168_S	1.719	1.00
52_T	101_Y	1.717	1.00
111_E	139_K	1.684	1.00
111_E	140_T	1.662	1.00
44_S	89_L	1.660	1.00
5_Y	93_N	1.625	1.00
40_A	53_I	1.615	1.00
74_D	79_M	1.614	1.00
6_S	10_R	1.586	0.99
124_T	129_T	1.576	0.99
8_Q	65_Q	1.564	0.99
105_G	110_L	1.562	0.99
28_L	114_I	1.560	0.99
32_A	70_Y	1.536	0.99
44_S	98_I	1.535	0.99
119_V	206_L	1.508	0.99
86_K	98_I	1.505	0.99
244_G	247_A	1.504	0.99
260_A	264_C	1.454	0.99
14_I	207_T	1.447	0.99
83_M	102_V	1.435	0.99
126_N	129_T	1.433	0.99
197_Y	227_H	1.433	0.99
137_A	144_W	1.430	0.99
149_C	190_A	1.424	0.99
200_A	220_F	1.411	0.99
284_L	288_L	1.395	0.99
285_I	296_A	1.390	0.99
5_Y	96_I	1.388	0.99
83_M	87_E	1.378	0.99
156_F	197_Y	1.363	0.98
121_I	147_G	1.337	0.98
61_W	77_L	1.336	0.98
260_A	265_G	1.315	0.98
158_T	205_L	1.315	0.98
284_L	298_A	1.305	0.98
160_I	163_E	1.277	0.98
21_R	208_G	1.277	0.98
20_K	24_D	1.276	0.98
21_R	24_D	1.269	0.98
124_T	133_I	1.262	0.97
261_A	265_G	1.258	0.97
101_Y	117_A	1.252	0.97
138_Q	242_S	1.252	0.97
11_F	152_S	1.245	0.97
28_L	54_I	1.238	0.97
88_H	91_A	1.226	0.97
28_L	117_A	1.226	0.97
38_A	195_S	1.200	0.97
279_I	284_L	1.188	0.96
283_E	287_R	1.179	0.96
103_T	112_P	1.177	0.96
240_C	244_G	1.163	0.96
280_P	283_E	1.156	0.96
278_R	281_K	1.154	0.96
40_A	89_L	1.149	0.96
32_A	40_A	1.141	0.95
80_P	83_M	1.139	0.95
172_E	237_R	1.137	0.95
105_G	114_I	1.134	0.95
147_G	198_Q	1.132	0.95
93_N	96_I	1.131	0.95
136_L	140_T	1.129	0.95
32_A	82_A	1.123	0.95
193_I	200_A	1.105	0.94
160_I	164_T	1.102	0.94
238_E	245_A	1.100	0.94
158_T	204_K	1.096	0.94
131_M	172_E	1.092	0.94
73_S	77_L	1.092	0.94
209_Q	212_A	1.088	0.94
278_R	282_Q	1.081	0.94
114_I	120_V	1.065	0.93
42_G	199_Q	1.065	0.93
42_G	192_H	1.063	0.93
8_Q	19_Q	1.058	0.93
282_Q	285_I	1.055	0.93
247_A	252_L	1.052	0.93
38_A	68_Q	1.051	0.93
283_E	286_K	1.050	0.93
158_T	201_E	1.036	0.92
195_S	199_Q	1.018	0.92
192_H	196_A	1.009	0.91
306_E	309_R	1.006	0.91
23_A	95_E	1.004	0.91
40_A	85_A	0.995	0.91
281_K	284_L	0.994	0.91
111_E	136_L	0.984	0.90
119_V	145_V	0.982	0.90
70_Y	74_D	0.969	0.90
41_E	68_Q	0.967	0.89
115_E	140_T	0.966	0.89
247_A	250_P	0.966	0.89
304_F	307_D	0.965	0.89
69_L	89_L	0.963	0.89
286_K	289_K	0.959	0.89
37_T	41_E	0.954	0.89
54_I	105_G	0.954	0.89
45_R	65_Q	0.952	0.89
279_I	283_E	0.951	0.89
38_A	192_H	0.951	0.89
284_L	287_R	0.949	0.89
82_A	100_A	0.949	0.89
192_H	195_S	0.945	0.88
280_P	284_L	0.942	0.88
59_V	84_A	0.941	0.88
29_I	43_L	0.940	0.88
279_I	282_Q	0.933	0.88
49_G	93_N	0.930	0.88
39_G	199_Q	0.925	0.87
255_W	258_P	0.925	0.87
9_I	16_E	0.922	0.87
216_G	229_K	0.922	0.87
197_Y	218_V	0.919	0.87
275_S	278_R	0.916	0.87
22_L	207_T	0.906	0.86
57_D	66_R	0.905	0.86
90_S	96_I	0.902	0.86
163_E	210_K	0.901	0.86
69_L	88_H	0.900	0.86
110_L	136_L	0.899	0.86
301_L	304_F	0.899	0.86
114_I	140_T	0.892	0.85
35_L	147_G	0.892	0.85
304_F	308_F	0.889	0.85
90_S	98_I	0.887	0.85
23_A	94_S	0.877	0.84
120_V	133_I	0.875	0.84
63_N	67_Q	0.871	0.84
73_S	87_E	0.871	0.84
161_P	164_T	0.870	0.84
74_D	88_H	0.864	0.83
133_I	144_W	0.863	0.83
154_G	194_V	0.861	0.83
138_Q	159_V	0.860	0.83
193_I	222_V	0.858	0.83
63_N	81_K	0.850	0.82
114_I	137_A	0.849	0.82
287_R	291_I	0.848	0.82
69_L	84_A	0.848	0.82
276_L	279_I	0.847	0.82
263_L	267_D	0.844	0.82
30_V	54_I	0.840	0.82
200_A	222_V	0.839	0.82
83_M	86_K	0.837	0.81
189_P	196_A	0.836	0.81
19_Q	22_L	0.832	0.81
191_V	196_A	0.820	0.80
39_G	123_A	0.808	0.79
279_I	287_R	0.806	0.79
156_F	218_V	0.805	0.79
250_P	254_D	0.805	0.79
31_G	36_G	0.805	0.79
152_S	223_W	0.805	0.79
148_A	186_I	0.803	0.79
221_D	224_N	0.800	0.78
189_P	203_L	0.797	0.78
277_K	280_P	0.792	0.78
281_K	286_K	0.791	0.78
52_T	99_E	0.791	0.78
114_I	136_L	0.790	0.77
286_K	291_I	0.788	0.77
242_S	251_Y	0.784	0.77
295_E	303_I	0.783	0.77
164_T	214_Q	0.780	0.77
74_D	84_A	0.778	0.76
127_F	167_L	0.777	0.76
101_Y	113_L	0.776	0.76
68_Q	192_H	0.775	0.76
54_I	113_L	0.773	0.76
38_A	41_E	0.772	0.76
83_M	100_A	0.771	0.76
255_W	259_K	0.770	0.76
277_K	283_E	0.767	0.75
79_M	83_M	0.766	0.75
29_I	53_I	0.765	0.75
84_A	88_H	0.765	0.75
255_W	263_L	0.758	0.75
297_N	300_L	0.753	0.74
186_I	191_V	0.749	0.74
150_V	184_A	0.748	0.74
29_I	208_G	0.747	0.73
121_I	145_V	0.746	0.73
236_R	244_G	0.746	0.73
127_F	146_Y	0.745	0.73
295_E	298_A	0.744	0.73
161_P	214_Q	0.743	0.73
71_T	74_D	0.741	0.73
277_K	284_L	0.739	0.73
66_R	81_K	0.734	0.72
30_V	110_L	0.732	0.72
141_K	162_G	0.731	0.72
8_Q	191_V	0.730	0.72
110_L	132_L	0.728	0.72
119_V	205_L	0.727	0.71
189_P	193_I	0.726	0.71
277_K	282_Q	0.724	0.71
63_N	66_R	0.719	0.71
274_E	277_K	0.717	0.70
50_T	101_Y	0.716	0.70
166_C	244_G	0.715	0.70
192_H	199_Q	0.715	0.70
25_S	208_G	0.714	0.70
186_I	190_A	0.714	0.70
252_L	259_K	0.713	0.70
33_G	36_G	0.712	0.70
275_S	279_I	0.711	0.70
282_Q	286_K	0.711	0.70
21_R	207_T	0.711	0.70
4_R	8_Q	0.710	0.70
276_L	282_Q	0.705	0.69
45_R	92_I	0.705	0.69
27_V	119_V	0.702	0.69
270_Q	273_S	0.699	0.68
131_M	168_S	0.694	0.68
273_S	276_L	0.694	0.68
157_M	213_I	0.692	0.68
37_T	144_W	0.691	0.68
14_I	203_L	0.690	0.67
266_R	269_V	0.690	0.67
247_A	251_Y	0.689	0.67
54_I	114_I	0.685	0.67
179_A	184_A	0.683	0.67
276_L	283_E	0.681	0.66
87_E	91_A	0.679	0.66
213_I	216_G	0.676	0.66
218_V	227_H	0.674	0.66
110_L	114_I	0.673	0.65
302_H	307_D	0.670	0.65
163_E	218_V	0.665	0.65
41_E	92_I	0.664	0.64
252_L	255_W	0.664	0.64
30_V	120_V	0.663	0.64
275_S	282_Q	0.659	0.64
228_M	235_V	0.658	0.64
53_I	89_L	0.656	0.64
285_I	288_L	0.656	0.64
282_Q	289_K	0.652	0.63
30_V	105_G	0.652	0.63
151_S	184_A	0.651	0.63
275_S	280_P	0.651	0.63
6_S	9_I	0.650	0.63
23_A	207_T	0.648	0.63
122_D	185_G	0.648	0.63
193_I	197_Y	0.647	0.62
8_Q	190_A	0.647	0.62
41_E	45_R	0.644	0.62
143_P	206_L	0.644	0.62
105_G	132_L	0.643	0.62
267_D	270_Q	0.642	0.62
273_S	278_R	0.641	0.62
255_W	265_G	0.641	0.62
174_I	177_G	0.641	0.62
21_R	25_S	0.640	0.62
30_V	101_Y	0.639	0.61
40_A	69_L	0.638	0.61
149_C	179_A	0.638	0.61
132_L	168_S	0.635	0.61
157_M	186_I	0.630	0.60
155_M	167_L	0.629	0.60
26_H	99_E	0.629	0.60
259_K	265_G	0.627	0.60
61_W	107_A	0.627	0.60
4_R	72_E	0.624	0.60
288_L	298_A	0.624	0.60
38_A	42_G	0.623	0.60
42_G	68_Q	0.621	0.59
287_R	295_E	0.621	0.59
276_L	281_K	0.619	0.59
146_Y	167_L	0.618	0.59
188_P	192_H	0.618	0.59
10_R	16_E	0.612	0.58
284_L	289_K	0.612	0.58
303_I	308_F	0.611	0.58
249_Y	253_Q	0.608	0.58
14_I	187_I	0.603	0.57
210_K	223_W	0.602	0.57
248_V	252_L	0.601	0.57
78_R	172_E	0.600	0.57
281_K	285_I	0.600	0.57
17_E	20_K	0.600	0.57
297_N	302_H	0.599	0.57
149_C	186_I	0.598	0.56
34_A	155_M	0.598	0.56
74_D	87_E	0.598	0.56
17_E	21_R	0.595	0.56
109_T	140_T	0.592	0.56
169_C	244_G	0.592	0.56
27_V	202_A	0.591	0.56
16_E	20_K	0.589	0.55
279_I	285_I	0.588	0.55
40_A	166_C	0.588	0.55
34_A	57_D	0.587	0.55
132_L	186_I	0.584	0.55
20_K	23_A	0.583	0.55
57_D	81_K	0.583	0.55
118_D	141_K	0.582	0.54
5_Y	8_Q	0.581	0.54
62_S	66_R	0.581	0.54
301_L	308_F	0.581	0.54
57_D	64_L	0.580	0.54
81_K	125_D	0.579	0.54
279_I	291_I	0.579	0.54
54_I	274_E	0.578	0.54
277_K	281_K	0.577	0.54
107_A	132_L	0.576	0.54
67_Q	85_A	0.576	0.54
259_K	262_V	0.575	0.54
83_M	98_I	0.575	0.54
265_G	269_V	0.575	0.54
14_I	22_L	0.575	0.54
26_H	97_H	0.574	0.53
79_M	84_A	0.573	0.53
114_I	142_T	0.571	0.53
66_R	125_D	0.571	0.53
106_T	109_T	0.570	0.53
167_L	172_E	0.569	0.53
282_Q	296_A	0.568	0.53
289_K	296_A	0.567	0.53
112_P	115_E	0.566	0.52
11_F	14_I	0.566	0.52
251_Y	255_W	0.564	0.52
146_Y	198_Q	0.564	0.52
134_N	166_C	0.564	0.52
58_Y	80_P	0.563	0.52
65_Q	223_W	0.562	0.52
263_L	266_R	0.560	0.52
181_C	185_G	0.560	0.52
120_V	142_T	0.560	0.52
182_D	222_V	0.559	0.52
60_E	239_E	0.558	0.51
275_S	286_K	0.556	0.51
305_Y	308_F	0.556	0.51
48_V	106_T	0.555	0.51
51_I	306_E	0.555	0.51
53_I	59_V	0.555	0.51
42_G	188_P	0.554	0.51
302_H	305_Y	0.553	0.51
280_P	287_R	0.552	0.51
187_I	222_V	0.552	0.51
275_S	281_K	0.550	0.50
85_A	89_L	0.550	0.50
44_S	92_I	0.548	0.50
291_I	305_Y	0.548	0.50
249_Y	252_L	0.544	0.50
25_S	118_D	0.543	0.49
156_F	194_V	0.543	0.49
289_K	295_E	0.543	0.49
123_A	305_Y	0.542	0.49
295_E	304_F	0.541	0.49
258_P	265_G	0.540	0.49
200_A	203_L	0.539	0.49
28_L	101_Y	0.538	0.49
260_A	266_R	0.537	0.49
207_T	223_W	0.536	0.49
105_G	109_T	0.536	0.49
285_I	297_N	0.534	0.48
32_A	51_I	0.532	0.48
165_P	170_L	0.530	0.48
52_T	142_T	0.529	0.48
36_G	55_D	0.528	0.48
133_I	167_L	0.528	0.48
37_T	59_V	0.527	0.47
155_M	181_C	0.527	0.47
301_L	307_D	0.525	0.47
226_S	229_K	0.525	0.47
248_V	251_Y	0.525	0.47
34_A	38_A	0.523	0.47
149_C	166_C	0.523	0.47
27_V	206_L	0.523	0.47
56_R	266_R	0.523	0.47
205_L	214_Q	0.522	0.47
128_E	151_S	0.521	0.47
201_E	213_I	0.521	0.47
124_T	146_Y	0.521	0.47
103_T	113_L	0.521	0.47
157_M	232_V	0.519	0.46
10_R	37_T	0.519	0.46
99_E	117_A	0.518	0.46
239_E	245_A	0.517	0.46
256_N	263_L	0.517	0.46
45_R	152_S	0.516	0.46
286_K	290_T	0.515	0.46
242_S	249_Y	0.515	0.46
290_T	296_A	0.513	0.46
14_I	46_A	0.513	0.46
291_I	303_I	0.513	0.46
165_P	169_C	0.512	0.46
120_V	140_T	0.512	0.46
259_K	264_C	0.511	0.45
100_A	111_E	0.509	0.45
256_N	274_E	0.508	0.45
53_I	226_S	0.507	0.45
78_R	188_P	0.507	0.45
124_T	144_W	0.506	0.45
278_R	283_E	0.506	0.45
263_L	301_L	0.506	0.45
50_T	98_I	0.506	0.45
105_G	148_A	0.506	0.45
152_S	222_V	0.504	0.45
29_I	121_I	0.502	0.44
193_I	220_F	0.500	0.44
54_I	103_T	0.500	0.44

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
3ruiA	2	0.8142	100	0.372	Contact Map
1zud1	2	0.6932	100	0.375	Contact Map
4gslA	2	0.7788	100	0.378	Contact Map
1tt5B	1	0.9115	100	0.38	Contact Map
1jw9B	2	0.6873	100	0.383	Contact Map
3h8vA	2	0.6254	100	0.384	Contact Map
2nvuB	1	0.9587	100	0.392	Contact Map
3h5nA	3	0.6962	100	0.421	Contact Map
1y8qB	1	0.9469	100	0.443	Contact Map
4nnjA	2	0.9263	100	0.471	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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