MTNB - BACSU - GREMLIN Contacts

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MTNB - Methylthioribulose-1-phosphate dehydratase

UniProt:	O31668	Sequences: MAAKQERWRELAEVKRELAERDWFPATSGNLSIKVTDEPLTFLVTASGKDKRKETVEDFLLVDQNGEPAESGHSLKPSAETLLHTHLYNKTNAGCCLHVHTVNNNVISELYGDQKKITFKGQEIIKALGLWEENAEVTVPIIENPAHIPTLAALFAEEISEDSGAVLIRNHGITAWGKTAFEAKRVLEAYEFLFSYHLKLKTLEHQLVK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	209 (184)
Sequences:	6219 (3742)
Seq/√Len:	275.9

ECOLI - FUCA YGBL SGBE ULAF ARAD RHAD
BACSU - MTNB ARAD
HALSA - Q9HQE3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
63_D	67_E	4.970	1.00
178_K	182_E	3.303	1.00
103_N	199_K	3.121	1.00
195_S	199_K	3.051	1.00
112_G	201_K	2.712	1.00
42_F	85_T	2.614	1.00
43_L	59_F	2.562	1.00
7_R	33_I	2.540	1.00
10_E	181_F	2.390	1.00
41_T	61_L	2.335	1.00
93_A	176_W	2.212	1.00
102_V	195_S	2.212	1.00
149_P	153_A	2.152	1.00
103_N	195_S	2.060	1.00
106_V	199_K	2.017	1.00
103_N	198_L	2.006	1.00
86_H	153_A	1.976	1.00
41_T	69_A	1.957	1.00
12_A	56_V	1.945	1.00
43_L	61_L	1.943	1.00
165_A	190_Y	1.933	1.00
86_H	89_N	1.920	1.00
9_R	13_E	1.901	1.00
97_L	183_A	1.894	1.00
33_I	180_A	1.883	1.00
55_T	58_D	1.873	1.00
17_E	21_R	1.787	1.00
94_G	179_T	1.742	1.00
38_E	41_T	1.734	1.00
199_K	202_T	1.723	1.00
179_T	182_E	1.701	1.00
35_V	43_L	1.678	1.00
62_V	81_T	1.654	1.00
14_V	184_K	1.607	1.00
111_Y	169_R	1.601	1.00
12_A	16_R	1.591	1.00
9_R	56_V	1.584	1.00
6_E	10_E	1.577	1.00
95_C	180_A	1.576	1.00
11_L	31_L	1.572	1.00
21_R	188_E	1.529	1.00
177_G	182_E	1.480	1.00
65_N	89_N	1.475	1.00
35_V	38_E	1.397	1.00
102_V	106_V	1.372	1.00
154_L	157_E	1.372	1.00
173_I	190_Y	1.370	1.00
11_L	59_F	1.343	1.00
86_H	90_K	1.342	1.00
90_K	156_A	1.333	1.00
99_V	187_L	1.323	1.00
90_K	160_S	1.317	1.00
100_H	171_H	1.311	1.00
33_I	95_C	1.291	1.00
85_T	89_N	1.281	1.00
16_R	20_E	1.249	1.00
32_S	96_C	1.245	1.00
17_E	20_E	1.233	1.00
32_S	88_Y	1.212	1.00
175_A	187_L	1.196	1.00
153_A	157_E	1.189	1.00
107_I	201_K	1.187	1.00
68_P	71_S	1.186	1.00
58_D	75_L	1.181	1.00
18_L	31_L	1.177	1.00
44_V	78_S	1.165	1.00
98_H	171_H	1.165	1.00
104_N	173_I	1.156	1.00
168_I	174_T	1.155	1.00
110_L	203_L	1.138	1.00
198_L	202_T	1.132	1.00
102_V	192_F	1.126	1.00
12_A	59_F	1.124	1.00
150_T	153_A	1.123	1.00
143_E	154_L	1.117	1.00
164_G	186_V	1.112	1.00
34_K	94_G	1.104	1.00
88_Y	96_C	1.099	1.00
198_L	203_L	1.098	1.00
197_H	201_K	1.092	1.00
138_T	163_S	1.087	1.00
35_V	61_L	1.085	1.00
145_P	154_L	1.083	1.00
61_L	70_E	1.080	1.00
18_L	97_L	1.079	1.00
191_E	195_S	1.079	1.00
42_F	81_T	1.063	1.00
36_T	41_T	1.061	1.00
103_N	191_E	1.060	1.00
192_F	195_S	1.057	1.00
159_I	176_W	1.055	1.00
19_A	52_R	1.045	1.00
105_N	108_S	1.039	1.00
46_A	49_K	1.033	1.00
49_K	58_D	1.021	1.00
14_V	180_A	1.011	1.00
10_E	33_I	1.001	1.00
99_V	173_I	0.992	1.00
155_F	168_I	0.992	1.00
104_N	190_Y	0.991	1.00
165_A	175_A	0.989	1.00
142_I	145_P	0.979	1.00
143_E	169_R	0.967	1.00
127_A	130_L	0.949	1.00
12_A	54_E	0.946	1.00
139_V	144_N	0.946	1.00
21_R	184_K	0.945	1.00
7_R	35_V	0.943	1.00
177_G	186_V	0.943	1.00
15_K	31_L	0.943	1.00
71_S	74_S	0.937	1.00
87_L	93_A	0.932	1.00
10_E	13_E	0.932	1.00
49_K	75_L	0.928	1.00
63_D	69_A	0.924	1.00
102_V	199_K	0.919	1.00
150_T	154_L	0.916	1.00
18_L	184_K	0.915	1.00
101_T	104_N	0.911	1.00
127_A	189_A	0.907	1.00
34_K	64_Q	0.905	1.00
8_W	70_E	0.899	1.00
140_P	143_E	0.895	1.00
113_D	138_T	0.884	1.00
42_F	62_V	0.878	1.00
173_I	187_L	0.878	1.00
60_L	76_K	0.866	1.00
14_V	31_L	0.855	1.00
13_E	53_K	0.850	1.00
83_L	174_T	0.842	1.00
117_I	197_H	0.828	1.00
6_E	9_R	0.823	0.99
47_S	76_K	0.817	0.99
83_L	155_F	0.812	0.99
38_E	61_L	0.811	0.99
101_T	191_E	0.808	0.99
46_A	59_F	0.808	0.99
154_L	158_E	0.807	0.99
130_L	163_S	0.806	0.99
54_E	58_D	0.805	0.99
120_K	197_H	0.801	0.99
182_E	185_R	0.797	0.99
156_A	159_I	0.790	0.99
101_T	187_L	0.790	0.99
97_L	187_L	0.786	0.99
182_E	186_V	0.785	0.99
17_E	184_K	0.784	0.99
53_K	181_F	0.782	0.99
64_Q	89_N	0.780	0.99
42_F	64_Q	0.776	0.99
86_H	156_A	0.767	0.99
159_I	166_V	0.767	0.99
123_E	126_K	0.764	0.99
119_F	122_Q	0.763	0.99
106_V	198_L	0.754	0.99
141_I	144_N	0.753	0.99
118_T	197_H	0.749	0.99
157_E	160_S	0.746	0.99
32_S	44_V	0.741	0.99
86_H	149_P	0.738	0.99
45_T	54_E	0.738	0.99
140_P	163_S	0.736	0.99
44_V	80_E	0.729	0.99
25_P	192_F	0.729	0.99
107_I	197_H	0.725	0.99
105_N	172_G	0.725	0.99
158_E	166_V	0.720	0.99
47_S	78_S	0.715	0.99
148_I	151_L	0.714	0.99
94_G	178_K	0.712	0.98
147_H	150_T	0.705	0.98
22_D	195_S	0.703	0.98
89_N	156_A	0.703	0.98
26_A	185_R	0.702	0.98
139_V	143_E	0.698	0.98
141_I	169_R	0.697	0.98
7_R	10_E	0.694	0.98
45_T	88_Y	0.693	0.98
37_D	41_T	0.692	0.98
90_K	157_E	0.680	0.98
143_E	157_E	0.678	0.98
8_W	43_L	0.678	0.98
27_T	47_S	0.667	0.98
87_L	159_I	0.665	0.98
15_K	51_K	0.664	0.98
121_G	124_I	0.662	0.98
105_N	196_Y	0.661	0.98
11_L	43_L	0.661	0.98
18_L	23_W	0.658	0.97
142_I	146_A	0.656	0.97
66_G	85_T	0.656	0.97
30_N	78_S	0.653	0.97
117_I	201_K	0.653	0.97
118_T	121_G	0.652	0.97
64_Q	67_E	0.650	0.97
81_T	85_T	0.650	0.97
17_E	26_A	0.645	0.97
29_G	51_K	0.644	0.97
151_L	154_L	0.641	0.97
19_A	24_F	0.638	0.97
19_A	25_P	0.636	0.97
50_D	53_K	0.632	0.97
152_A	155_F	0.624	0.97
34_K	42_F	0.624	0.97
139_V	142_I	0.623	0.97
175_A	186_V	0.620	0.96
61_L	69_A	0.617	0.96
149_P	152_A	0.611	0.96
151_L	155_F	0.609	0.96
144_N	147_H	0.609	0.96
20_E	52_R	0.606	0.96
124_I	127_A	0.604	0.96
21_R	26_A	0.599	0.96
156_A	160_S	0.598	0.96
167_L	173_I	0.597	0.96
110_L	200_L	0.596	0.96
87_L	174_T	0.587	0.95
24_F	31_L	0.587	0.95
30_N	80_E	0.587	0.95
147_H	152_A	0.585	0.95
108_S	167_L	0.584	0.95
110_L	198_L	0.582	0.95
53_K	58_D	0.582	0.95
58_D	74_S	0.581	0.95
64_Q	85_T	0.580	0.95
190_Y	194_F	0.577	0.95
200_L	203_L	0.576	0.95
117_I	194_F	0.576	0.95
118_T	122_Q	0.575	0.95
82_L	149_P	0.574	0.95
155_F	158_E	0.573	0.95
80_E	151_L	0.572	0.94
7_R	43_L	0.571	0.94
103_N	106_V	0.564	0.94
25_P	28_S	0.561	0.94
142_I	154_L	0.561	0.94
19_A	51_K	0.560	0.94
164_G	176_W	0.556	0.94
8_W	59_F	0.556	0.94
11_L	15_K	0.556	0.94
113_D	141_I	0.551	0.93
56_V	59_F	0.551	0.93
10_E	180_A	0.550	0.93
155_F	159_I	0.550	0.93
164_G	178_K	0.549	0.93
95_C	183_A	0.548	0.93
68_P	76_K	0.547	0.93
28_S	192_F	0.544	0.93
33_I	59_F	0.542	0.93
97_L	175_A	0.541	0.93
104_N	187_L	0.537	0.92
164_G	182_E	0.536	0.92
8_W	61_L	0.536	0.92
104_N	194_F	0.534	0.92
101_T	173_I	0.534	0.92
92_N	178_K	0.531	0.92
185_R	192_F	0.528	0.92
86_H	152_A	0.527	0.92
107_I	112_G	0.526	0.92
62_V	85_T	0.525	0.92
54_E	59_F	0.525	0.92
13_E	16_R	0.524	0.91
166_V	174_T	0.523	0.91
122_Q	126_K	0.521	0.91
107_I	194_F	0.521	0.91
104_N	167_L	0.519	0.91
38_E	64_Q	0.519	0.91
26_A	188_E	0.518	0.91
155_F	166_V	0.515	0.91
143_E	147_H	0.512	0.91
11_L	33_I	0.509	0.90
155_F	174_T	0.509	0.90
30_N	47_S	0.508	0.90
45_T	59_F	0.503	0.90
82_L	86_H	0.502	0.90
87_L	96_C	0.500	0.89

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
3ocrA	4	0.9426	100	0.164	Contact Map
4c24A	3	0.9234	100	0.173	Contact Map
1e4cP	3	0.9139	100	0.178	Contact Map
2irpA	4	0.9474	100	0.18	Contact Map
4m6rA	3	0.9665	100	0.186	Contact Map
2fk5A	4	0.89	100	0.192	Contact Map
4xxfA	3	0.9043	100	0.194	Contact Map
1k0wA	3	0.9234	100	0.211	Contact Map
2z7bA	3	0.9187	100	0.219	Contact Map
1pvtA	3	0.9426	100	0.227	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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