MOEB - ECOLI - GREMLIN Contacts

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MOEB - Molybdopterin-synthase adenylyltransferase

UniProt:	P12282	Sequences: MAELSDQEMLRYNRQIILRGFDFDGQEALKDSRVLIVGLGGLGCAASQYLASAGVGNLTLLDFDTVSLSNLQRQTLHSDATVGQPKVESARDALTRINPHIAITPVNALLDDAELAALIAEHDLVLDCTDNVAVRNQLNAGCFAAKVPLVSGAAIRMEGQITVFTYQDGEPCYRCLSRLFGENALTCVEAGVMAPLIGVIGSLQAMEAIKMLAGYGKPASGKIVMYDAMTCQFREMKLMRNPGCEVCGQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10154
Length:	249 (219)
Sequences:	9199 (6220)
Seq/√Len:	420.3

ECOLI - MOEB THIF 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
57_N	102_A	3.502	1.00
57_N	104_T	3.366	1.00
91_R	95_T	3.314	1.00
33_R	59_T	3.234	1.00
84_Q	92_D	3.221	1.00
85_P	107_N	3.212	1.00
33_R	57_N	3.003	1.00
63_F	109_L	2.880	1.00
59_T	122_H	2.861	1.00
126_L	208_A	2.513	1.00
46_A	126_L	2.442	1.00
80_A	96_R	2.389	1.00
77_H	89_S	2.377	1.00
47_S	94_L	2.376	1.00
91_R	105_P	2.344	1.00
207_E	210_K	2.318	1.00
172_C	175_C	2.245	1.00
81_T	84_Q	2.217	1.00
124_L	208_A	2.213	1.00
35_L	122_H	2.210	1.00
36_I	47_S	2.171	1.00
88_E	107_N	2.165	1.00
152_G	204_Q	2.151	1.00
76_L	90_A	2.123	1.00
79_D	99_P	2.066	1.00
152_G	200_I	2.045	1.00
32_S	212_L	2.025	1.00
125_V	142_C	2.013	1.00
88_E	105_P	1.967	1.00
59_T	106_V	1.933	1.00
78_S	96_R	1.897	1.00
87_V	105_P	1.842	1.00
129_T	134_V	1.739	1.00
116_A	144_A	1.722	1.00
141_G	145_A	1.714	1.00
87_V	107_N	1.709	1.00
27_E	31_D	1.704	1.00
120_A	145_A	1.699	1.00
13_N	17_I	1.680	1.00
110_L	115_L	1.674	1.00
16_I	23_F	1.662	1.00
39_L	60_L	1.657	1.00
65_T	85_P	1.650	1.00
59_T	104_T	1.619	1.00
116_A	145_A	1.618	1.00
21_F	213_A	1.592	1.00
78_S	93_A	1.588	1.00
159_G	200_I	1.580	1.00
35_L	61_L	1.541	1.00
51_A	94_L	1.518	1.00
84_Q	88_E	1.510	1.00
85_P	88_E	1.478	1.00
11_R	79_D	1.476	1.00
44_C	76_L	1.453	1.00
21_F	25_G	1.437	1.00
108_A	114_E	1.433	1.00
49_Y	198_G	1.424	1.00
81_T	93_A	1.392	1.00
29_L	209_I	1.374	1.00
93_A	96_R	1.348	1.00
28_A	32_S	1.336	1.00
45_A	48_Q	1.330	1.00
47_S	60_L	1.328	1.00
34_V	124_L	1.314	1.00
163_V	211_M	1.313	1.00
46_A	128_C	1.298	1.00
33_R	122_H	1.286	1.00
12_Y	98_N	1.277	1.00
51_A	101_I	1.273	1.00
15_Q	26_Q	1.271	1.00
140_A	174_R	1.261	1.00
39_L	90_A	1.238	1.00
140_A	144_A	1.221	1.00
78_S	81_T	1.211	1.00
23_F	27_E	1.199	1.00
94_L	101_I	1.198	1.00
94_L	103_I	1.194	1.00
37_V	138_L	1.192	1.00
195_P	206_M	1.179	1.00
98_N	101_I	1.173	1.00
115_L	141_G	1.172	1.00
91_R	103_I	1.171	1.00
226_Y	231_C	1.168	1.00
161_I	203_L	1.166	1.00
139_N	149_L	1.160	1.00
185_L	189_E	1.149	1.00
139_N	143_F	1.128	1.00
138_L	149_L	1.111	1.00
84_Q	89_S	1.099	1.00
88_E	91_R	1.094	1.00
171_P	175_C	1.083	1.00
48_Q	52_S	1.081	1.00
48_Q	75_T	1.075	1.00
116_A	141_G	1.067	1.00
198_G	202_S	1.059	1.00
111_D	114_E	1.059	1.00
154_A	197_I	1.054	1.00
95_T	101_I	1.053	1.00
129_T	138_L	1.051	1.00
227_D	230_T	1.050	1.00
35_L	59_T	1.045	1.00
70_N	86_K	1.044	1.00
201_G	205_A	1.038	1.00
174_R	177_S	1.031	1.00
30_K	100_H	1.027	1.00
77_H	81_T	1.024	1.00
141_G	144_A	1.023	1.00
124_L	211_M	1.014	1.00
81_T	92_D	0.990	1.00
199_V	226_Y	0.987	1.00
66_V	77_H	0.980	1.00
22_D	25_G	0.978	1.00
52_S	97_I	0.956	1.00
199_V	203_L	0.955	1.00
127_D	138_L	0.950	1.00
33_R	104_T	0.947	1.00
53_A	209_I	0.936	1.00
150_V	211_M	0.930	1.00
136_N	178_R	0.929	1.00
64_D	70_N	0.928	1.00
51_A	58_L	0.914	1.00
186_T	189_E	0.905	1.00
119_I	122_H	0.897	1.00
39_L	87_V	0.897	1.00
124_L	150_V	0.893	1.00
92_D	96_R	0.892	1.00
48_Q	93_A	0.885	1.00
131_N	134_V	0.883	1.00
37_V	61_L	0.880	1.00
64_D	86_K	0.875	1.00
28_A	214_G	0.875	1.00
172_C	176_L	0.872	1.00
66_V	89_S	0.871	1.00
47_S	90_A	0.867	1.00
81_T	89_S	0.857	1.00
24_D	28_A	0.856	1.00
35_L	119_I	0.856	1.00
126_L	204_Q	0.854	1.00
104_T	121_E	0.850	1.00
49_Y	202_S	0.843	1.00
45_A	198_G	0.843	1.00
125_V	138_L	0.842	1.00
136_N	140_A	0.841	1.00
15_Q	72_Q	0.840	1.00
37_V	110_L	0.836	1.00
172_C	177_S	0.833	1.00
44_C	48_Q	0.832	1.00
115_L	137_Q	0.829	1.00
136_N	174_R	0.828	1.00
137_Q	141_G	0.824	1.00
127_D	135_R	0.821	1.00
108_A	117_A	0.816	1.00
63_F	107_N	0.816	1.00
170_E	173_Y	0.814	1.00
25_G	213_A	0.807	1.00
142_C	149_L	0.806	1.00
26_Q	30_K	0.801	1.00
18_L	157_M	0.799	1.00
139_N	172_C	0.797	1.00
206_M	228_A	0.790	1.00
71_L	82_V	0.781	1.00
112_D	140_A	0.780	1.00
48_Q	97_I	0.779	1.00
150_V	208_A	0.776	1.00
49_Y	205_A	0.773	1.00
167_Q	170_E	0.769	1.00
119_I	141_G	0.768	1.00
154_A	192_V	0.767	1.00
34_V	55_V	0.762	1.00
173_Y	176_L	0.762	1.00
124_L	212_L	0.762	1.00
112_D	137_Q	0.761	1.00
89_S	92_D	0.751	1.00
121_E	147_V	0.750	1.00
76_L	94_L	0.748	1.00
92_D	95_T	0.746	1.00
161_I	200_I	0.746	1.00
171_P	176_L	0.744	1.00
171_P	221_G	0.743	1.00
114_E	118_L	0.742	1.00
42_L	204_Q	0.740	1.00
224_V	231_C	0.737	1.00
44_C	77_H	0.735	1.00
41_G	197_I	0.735	1.00
28_A	31_D	0.732	1.00
34_V	208_A	0.732	1.00
170_E	177_S	0.730	1.00
27_E	30_K	0.729	1.00
95_T	102_A	0.727	1.00
192_V	197_I	0.724	1.00
58_L	94_L	0.722	1.00
110_L	114_E	0.715	1.00
169_G	173_Y	0.715	1.00
170_E	174_R	0.715	1.00
47_S	58_L	0.712	1.00
117_A	120_A	0.708	1.00
160_Q	163_V	0.706	1.00
39_L	47_S	0.705	1.00
185_L	190_A	0.704	1.00
119_I	145_A	0.696	1.00
157_M	229_M	0.695	1.00
10_L	16_I	0.694	1.00
125_V	147_V	0.688	1.00
228_A	231_C	0.688	1.00
174_R	179_L	0.688	1.00
178_R	181_G	0.681	1.00
163_V	207_E	0.679	1.00
165_T	170_E	0.677	1.00
61_L	118_L	0.677	1.00
10_L	13_N	0.676	1.00
32_S	123_D	0.673	1.00
206_M	226_Y	0.669	1.00
68_L	79_D	0.668	1.00
46_A	201_G	0.667	0.99
127_D	151_S	0.659	0.99
196_L	228_A	0.658	0.99
49_Y	75_T	0.657	0.99
195_P	209_I	0.655	0.99
52_S	72_Q	0.655	0.99
123_D	147_V	0.650	0.99
88_E	92_D	0.649	0.99
24_D	27_E	0.646	0.99
110_L	137_Q	0.644	0.99
12_Y	101_I	0.643	0.99
193_M	206_M	0.642	0.99
50_L	58_L	0.642	0.99
10_L	68_L	0.642	0.99
150_V	163_V	0.641	0.99
66_V	76_L	0.634	0.99
29_L	56_G	0.634	0.99
15_Q	53_A	0.632	0.99
53_A	194_A	0.632	0.99
68_L	82_V	0.631	0.99
211_M	218_P	0.629	0.99
58_L	101_I	0.629	0.99
61_L	110_L	0.628	0.99
170_E	175_C	0.628	0.99
21_F	26_Q	0.626	0.99
64_D	130_D	0.626	0.99
197_I	202_S	0.625	0.99
65_T	107_N	0.624	0.99
171_P	174_R	0.621	0.99
175_C	178_R	0.620	0.99
13_N	16_I	0.617	0.99
46_A	204_Q	0.616	0.99
45_A	75_T	0.614	0.99
60_L	103_I	0.614	0.99
139_N	175_C	0.610	0.99
87_V	103_I	0.608	0.99
79_D	82_V	0.608	0.99
209_I	213_A	0.602	0.99
81_T	96_R	0.601	0.99
215_Y	229_M	0.600	0.99
168_D	171_P	0.600	0.99
60_L	90_A	0.600	0.99
177_S	180_F	0.597	0.99
55_V	212_L	0.595	0.99
45_A	49_Y	0.593	0.99
33_R	121_E	0.589	0.99
164_F	200_I	0.588	0.99
29_L	55_V	0.587	0.99
15_Q	18_L	0.583	0.99
150_V	204_Q	0.579	0.99
28_A	213_A	0.578	0.99
196_L	199_V	0.578	0.99
16_I	26_Q	0.576	0.99
32_S	55_V	0.574	0.98
116_A	120_A	0.573	0.98
135_R	153_A	0.571	0.98
51_A	103_I	0.571	0.98
176_L	180_F	0.568	0.98
131_N	135_R	0.564	0.98
70_N	130_D	0.564	0.98
34_V	212_L	0.564	0.98
44_C	75_T	0.563	0.98
171_P	178_R	0.563	0.98
127_D	130_D	0.562	0.98
174_R	178_R	0.559	0.98
169_G	174_R	0.558	0.98
56_G	98_N	0.557	0.98
11_R	100_H	0.556	0.98
64_D	69_S	0.554	0.98
219_A	224_V	0.554	0.98
159_G	193_M	0.552	0.98
174_R	180_F	0.548	0.98
34_V	126_L	0.547	0.98
44_C	66_V	0.547	0.98
208_A	212_L	0.543	0.98
179_L	183_N	0.542	0.98
148_P	211_M	0.542	0.98
156_R	190_A	0.541	0.98
165_T	169_G	0.541	0.98
146_K	168_D	0.539	0.98
172_C	178_R	0.537	0.98
47_S	76_L	0.536	0.98
119_I	142_C	0.535	0.98
45_A	202_S	0.534	0.98
217_K	230_T	0.530	0.97
62_D	87_V	0.530	0.97
45_A	201_G	0.530	0.97
192_V	196_L	0.529	0.97
21_F	193_M	0.529	0.97
93_A	97_I	0.526	0.97
70_N	73_R	0.526	0.97
175_C	179_L	0.525	0.97
183_N	186_T	0.525	0.97
114_E	117_A	0.524	0.97
86_K	130_D	0.523	0.97
40_G	43_G	0.523	0.97
73_R	86_K	0.521	0.97
32_S	208_A	0.520	0.97
199_V	202_S	0.519	0.97
33_R	123_D	0.517	0.97
73_R	130_D	0.516	0.97
76_L	93_A	0.515	0.97
67_S	70_N	0.515	0.97
64_D	73_R	0.515	0.97
173_Y	177_S	0.514	0.97
222_K	225_M	0.513	0.97
151_S	162_T	0.512	0.97
36_I	50_L	0.512	0.97
176_L	179_L	0.510	0.97
134_V	137_Q	0.509	0.97
156_R	196_L	0.506	0.97
114_E	137_Q	0.506	0.97
36_I	43_G	0.502	0.97
167_Q	171_P	0.501	0.96
28_A	212_L	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
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
1zud1	2	0.9598	100	0.145	Contact Map
1jw9B	2	0.9639	100	0.146	Contact Map
1tt5B	1	0.9839	100	0.203	Contact Map
4gslA	2	0.9839	100	0.208	Contact Map
2nvuB	1	0.9839	100	0.211	Contact Map
3h5nA	3	0.9799	100	0.212	Contact Map
3h8vA	2	0.8153	100	0.224	Contact Map
3ruiA	2	0.9799	100	0.236	Contact Map
1y8qA	1	0.9277	100	0.251	Contact Map
1y8qB	1	0.9197	100	0.261	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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