GARR - ECOLI - GREMLIN Contacts

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GARR - 2-hydroxy-3-oxopropionate reductase

UniProt:	P0ABQ2	Sequences: MKVGFIGLGIMGKPMSKNLLKAGYSLVVADRNPEAIADVIAAGAETASTAKAIAEQCDVIITMLPNSPHVKEVALGENGIIEGAKPGTVLIDMSSIAPLASREISEALKAKGIDMLDAPVSGGEPKAIDGTLSVMVGGDKAIFDKYYDLMKAMAGSVVHTGEIGAGNVTKLANQVIVALNIAAMSEALTLATKAGVNPDLVYQAIRGGLAGSTVLDAKAPMVMDRNFKPGFRIDLHIKDLANALDTSHGVGAQLPLTAAVMEMMQALRADGLGTADHSALACYYEKLAKVEVTR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11176
Length:	294 (279)
Sequences:	11445 (7424)
Seq/√Len:	444.5

ECOLI - GARR YGBJ GLXR SQUU 6PGD
BACSU - YKWC YFJR YQEC 6PGDH 6PGD
HALSA - Q9HMG5
SULSO - Q97XZ7 Q97ZE5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
147_Y	151_K	3.634	1.00
71_K	103_E	3.369	1.00
140_K	144_D	3.305	1.00
27_V	47_A	3.007	1.00
114_D	142_I	2.909	1.00
2_K	25_S	2.789	1.00
40_I	46_T	2.726	1.00
114_D	145_K	2.721	1.00
17_K	42_A	2.707	1.00
234_D	274_T	2.329	1.00
48_S	52_A	2.277	1.00
37_A	41_A	2.226	1.00
144_D	147_Y	2.212	1.00
36_I	46_T	2.195	1.00
108_L	113_I	2.124	1.00
89_V	146_Y	2.051	1.00
20_L	44_A	2.005	1.00
211_G	216_D	1.997	1.00
13_K	38_D	1.977	1.00
24_Y	152_A	1.948	1.00
4_G	53_I	1.946	1.00
140_K	159_H	1.912	1.00
197_N	200_L	1.891	1.00
105_S	163_I	1.852	1.00
99_L	249_G	1.843	1.00
49_T	52_A	1.838	1.00
114_D	139_D	1.837	1.00
81_I	108_L	1.835	1.00
62_T	90_L	1.834	1.00
22_A	152_A	1.770	1.00
246_T	249_G	1.767	1.00
18_N	21_K	1.755	1.00
51_K	55_E	1.732	1.00
25_S	45_E	1.729	1.00
234_D	268_R	1.721	1.00
2_K	27_V	1.720	1.00
85_K	88_T	1.711	1.00
32_N	35_A	1.698	1.00
109_K	139_D	1.696	1.00
34_E	37_A	1.684	1.00
106_E	110_A	1.681	1.00
191_A	201_V	1.676	1.00
139_D	142_I	1.642	1.00
134_V	153_M	1.635	1.00
33_P	37_A	1.624	1.00
74_A	90_L	1.616	1.00
27_V	56_Q	1.597	1.00
63_M	93_M	1.590	1.00
89_V	142_I	1.585	1.00
272_L	275_A	1.576	1.00
107_A	110_A	1.558	1.00
116_L	138_G	1.552	1.00
105_S	109_K	1.541	1.00
28_V	44_A	1.525	1.00
84_A	88_T	1.525	1.00
134_V	154_A	1.518	1.00
143_F	147_Y	1.501	1.00
103_E	107_A	1.484	1.00
118_A	134_V	1.479	1.00
61_I	93_M	1.455	1.00
116_L	146_Y	1.450	1.00
18_N	130_G	1.443	1.00
143_F	159_H	1.429	1.00
199_D	203_Q	1.427	1.00
66_N	69_H	1.426	1.00
220_P	224_D	1.416	1.00
51_K	83_G	1.415	1.00
27_V	45_E	1.408	1.00
125_P	129_D	1.405	1.00
124_E	128_I	1.401	1.00
53_I	57_C	1.399	1.00
37_A	40_I	1.378	1.00
262_E	265_Q	1.372	1.00
67_S	100_A	1.370	1.00
179_L	183_A	1.359	1.00
160_T	169_T	1.346	1.00
258_A	262_E	1.342	1.00
171_L	242_N	1.337	1.00
233_I	267_L	1.334	1.00
58_D	85_K	1.321	1.00
101_S	115_M	1.310	1.00
234_D	273_G	1.309	1.00
131_T	155_G	1.308	1.00
89_V	145_K	1.307	1.00
192_T	198_P	1.301	1.00
206_R	216_D	1.300	1.00
259_A	262_E	1.300	1.00
33_P	48_S	1.299	1.00
21_K	42_A	1.287	1.00
108_L	115_M	1.280	1.00
79_G	82_E	1.267	1.00
261_M	265_Q	1.267	1.00
275_A	282_C	1.250	1.00
17_K	128_I	1.235	1.00
91_I	146_Y	1.233	1.00
116_L	143_F	1.230	1.00
14_P	128_I	1.230	1.00
63_M	120_V	1.229	1.00
237_I	268_R	1.220	1.00
248_H	258_A	1.217	1.00
21_K	128_I	1.208	1.00
68_P	72_E	1.207	1.00
4_G	57_C	1.206	1.00
189_T	193_K	1.199	1.00
59_V	89_V	1.196	1.00
81_I	111_K	1.189	1.00
39_V	44_A	1.189	1.00
139_D	162_E	1.185	1.00
247_S	254_L	1.161	1.00
146_Y	150_M	1.159	1.00
16_S	26_L	1.159	1.00
38_D	41_A	1.156	1.00
71_K	107_A	1.154	1.00
47_A	53_I	1.153	1.00
178_A	240_L	1.153	1.00
50_A	83_G	1.152	1.00
84_A	113_I	1.152	1.00
194_A	250_V	1.152	1.00
59_V	149_L	1.143	1.00
245_D	249_G	1.141	1.00
102_R	168_V	1.139	1.00
178_A	236_H	1.138	1.00
93_M	134_V	1.134	1.00
82_E	111_K	1.133	1.00
5_F	15_M	1.120	1.00
88_T	113_I	1.119	1.00
17_K	21_K	1.111	1.00
5_F	61_I	1.100	1.00
253_Q	258_A	1.100	1.00
5_F	16_S	1.094	1.00
97_A	100_A	1.091	1.00
64_L	73_V	1.090	1.00
102_R	163_I	1.088	1.00
52_A	55_E	1.080	1.00
90_L	108_L	1.070	1.00
27_V	57_C	1.065	1.00
244_L	258_A	1.056	1.00
237_I	265_Q	1.053	1.00
71_K	100_A	1.050	1.00
67_S	97_A	1.049	1.00
10_I	124_E	1.041	1.00
162_E	165_A	1.041	1.00
136_V	143_F	1.038	1.00
107_A	111_K	1.035	1.00
102_R	106_E	1.035	1.00
93_M	153_M	1.030	1.00
61_I	149_L	1.026	1.00
159_H	162_E	1.020	1.00
106_E	109_K	1.017	1.00
54_A	83_G	1.016	1.00
241_A	261_M	1.012	1.00
105_S	139_D	1.004	1.00
30_D	35_A	0.994	1.00
47_A	52_A	0.988	1.00
176_I	187_A	0.987	1.00
245_D	248_H	0.987	1.00
151_K	157_V	0.984	1.00
38_D	42_A	0.972	1.00
56_Q	85_K	0.969	1.00
116_L	136_V	0.968	1.00
200_L	203_Q	0.967	1.00
8_L	39_V	0.963	1.00
78_N	82_E	0.960	1.00
84_A	90_L	0.957	1.00
78_N	107_A	0.956	1.00
20_L	43_G	0.950	1.00
45_E	56_Q	0.949	1.00
61_I	91_I	0.945	1.00
172_A	191_A	0.938	1.00
233_I	268_R	0.933	1.00
188_L	202_Y	0.932	1.00
69_H	72_E	0.931	1.00
117_D	164_G	0.930	1.00
231_F	235_L	0.923	1.00
127_A	132_L	0.920	1.00
241_A	245_D	0.919	1.00
213_T	217_A	0.917	1.00
34_E	38_D	0.913	1.00
74_A	80_I	0.913	1.00
70_V	96_I	0.911	1.00
31_R	69_H	0.910	1.00
172_A	187_A	0.906	1.00
160_T	165_A	0.906	1.00
74_A	108_L	0.903	1.00
144_D	159_H	0.899	1.00
138_G	143_F	0.897	1.00
50_A	54_A	0.896	1.00
89_V	114_D	0.896	1.00
52_A	56_Q	0.895	1.00
121_S	173_N	0.892	1.00
33_P	46_T	0.887	1.00
179_L	256_L	0.886	1.00
18_N	153_M	0.885	1.00
268_R	273_G	0.881	1.00
135_M	204_A	0.880	1.00
97_A	245_D	0.879	1.00
275_A	279_A	0.878	1.00
13_K	17_K	0.878	1.00
51_K	79_G	0.878	1.00
71_K	104_I	0.877	1.00
265_Q	269_A	0.874	1.00
241_A	265_Q	0.872	1.00
121_S	135_M	0.871	1.00
86_P	112_G	0.869	1.00
59_V	145_K	0.868	1.00
100_A	103_E	0.867	1.00
206_R	215_L	0.862	1.00
101_S	167_N	0.859	1.00
5_F	26_L	0.851	1.00
202_Y	219_A	0.848	1.00
168_V	246_T	0.847	1.00
272_L	282_C	0.845	1.00
237_I	261_M	0.844	1.00
53_I	56_Q	0.844	1.00
96_I	100_A	0.841	1.00
160_T	204_A	0.841	1.00
8_L	28_V	0.835	1.00
168_V	194_A	0.834	1.00
35_A	38_D	0.833	1.00
15_M	153_M	0.826	1.00
103_E	106_E	0.826	1.00
148_D	151_K	0.825	1.00
142_I	145_K	0.824	1.00
193_K	252_A	0.818	1.00
228_K	275_A	0.817	1.00
206_R	211_G	0.816	1.00
265_Q	268_R	0.813	1.00
19_L	61_I	0.813	1.00
91_I	118_A	0.812	1.00
202_Y	206_R	0.807	1.00
267_L	279_A	0.805	1.00
232_R	274_T	0.803	1.00
62_T	70_V	0.802	1.00
182_A	256_L	0.798	1.00
140_K	162_E	0.794	1.00
199_D	224_D	0.794	1.00
180_N	212_S	0.792	1.00
65_P	69_H	0.791	1.00
117_D	166_G	0.791	1.00
169_T	196_V	0.788	1.00
2_K	58_D	0.783	1.00
50_A	53_I	0.780	1.00
60_I	80_I	0.778	1.00
99_L	102_R	0.775	1.00
219_A	222_V	0.775	1.00
256_L	260_V	0.773	1.00
27_V	53_I	0.772	1.00
175_V	257_T	0.772	1.00
137_G	166_G	0.770	1.00
232_R	235_L	0.767	1.00
266_A	283_Y	0.764	1.00
102_R	164_G	0.763	1.00
59_V	91_I	0.758	1.00
180_N	184_M	0.756	1.00
15_M	93_M	0.755	1.00
246_T	250_V	0.751	1.00
143_F	157_V	0.747	1.00
114_D	141_A	0.745	1.00
266_A	270_D	0.742	1.00
116_L	142_I	0.739	1.00
3_V	24_Y	0.739	1.00
15_M	132_L	0.738	1.00
142_I	146_Y	0.737	1.00
92_D	115_M	0.735	1.00
150_M	157_V	0.735	1.00
6_I	50_A	0.733	1.00
95_S	242_N	0.733	1.00
81_I	113_I	0.728	1.00
175_V	243_A	0.728	1.00
31_R	35_A	0.726	1.00
28_V	36_I	0.722	1.00
191_A	196_V	0.722	1.00
24_Y	149_L	0.721	1.00
6_I	29_A	0.720	1.00
20_L	42_A	0.718	1.00
244_L	261_M	0.713	1.00
147_Y	157_V	0.712	1.00
176_I	184_M	0.711	1.00
184_M	215_L	0.711	1.00
5_F	63_M	0.709	1.00
81_I	107_A	0.705	1.00
123_G	126_K	0.704	1.00
64_L	69_H	0.703	1.00
13_K	42_A	0.701	1.00
193_K	250_V	0.701	1.00
270_D	283_Y	0.698	1.00
62_T	74_A	0.698	1.00
248_H	261_M	0.697	1.00
266_A	269_A	0.694	1.00
3_V	19_L	0.692	1.00
104_I	115_M	0.689	1.00
15_M	63_M	0.688	1.00
60_I	84_A	0.687	1.00
267_L	283_Y	0.685	1.00
141_A	144_D	0.683	1.00
3_V	149_L	0.682	1.00
19_L	26_L	0.682	1.00
233_I	279_A	0.681	1.00
33_P	36_I	0.680	1.00
55_E	83_G	0.679	1.00
2_K	56_Q	0.677	1.00
185_S	280_L	0.677	1.00
115_M	163_I	0.675	1.00
227_F	282_C	0.674	1.00
189_T	192_T	0.672	1.00
51_K	54_A	0.668	1.00
47_A	56_Q	0.668	1.00
20_L	26_L	0.665	1.00
199_D	223_M	0.661	1.00
279_A	282_C	0.655	1.00
267_L	272_L	0.653	1.00
156_S	207_G	0.652	1.00
100_A	104_I	0.649	1.00
219_A	223_M	0.647	0.99
180_N	214_V	0.644	0.99
36_I	40_I	0.643	0.99
169_T	201_V	0.642	0.99
70_V	94_S	0.642	0.99
158_V	204_A	0.638	0.99
118_A	136_V	0.638	0.99
176_I	183_A	0.636	0.99
172_A	190_L	0.635	0.99
196_V	201_V	0.633	0.99
64_L	70_V	0.630	0.99
176_I	180_N	0.628	0.99
137_G	159_H	0.625	0.99
13_K	39_V	0.624	0.99
202_Y	223_M	0.624	0.99
156_S	203_Q	0.622	0.99
136_V	150_M	0.620	0.99
168_V	196_V	0.620	0.99
72_E	78_N	0.620	0.99
262_E	269_A	0.618	0.99
68_P	71_K	0.613	0.99
46_T	49_T	0.612	0.99
171_L	243_A	0.612	0.99
262_E	266_A	0.606	0.99
30_D	33_P	0.606	0.99
70_V	92_D	0.604	0.99
97_A	242_N	0.603	0.99
213_T	216_D	0.601	0.99
86_P	111_K	0.600	0.99
205_I	210_A	0.599	0.99
181_I	277_H	0.599	0.99
57_C	60_I	0.598	0.99
241_A	248_H	0.598	0.99
96_I	167_N	0.597	0.99
16_S	28_V	0.596	0.99
72_E	79_G	0.596	0.99
126_K	131_T	0.595	0.99
176_I	205_I	0.595	0.99
263_M	266_A	0.593	0.99
190_L	254_L	0.591	0.99
70_V	100_A	0.591	0.99
118_A	150_M	0.589	0.99
9_G	65_P	0.589	0.99
96_I	101_S	0.589	0.99
244_L	248_H	0.585	0.99
179_L	260_V	0.584	0.99
11_M	15_M	0.584	0.99
136_V	157_V	0.584	0.99
51_K	82_E	0.583	0.99
147_Y	159_H	0.583	0.99
237_I	241_A	0.581	0.99
150_M	154_A	0.580	0.99
80_I	84_A	0.579	0.99
46_T	50_A	0.577	0.99
14_P	124_E	0.570	0.99
62_T	92_D	0.568	0.99
101_S	163_I	0.567	0.99
17_K	20_L	0.565	0.99
70_V	104_I	0.559	0.99
51_K	78_N	0.559	0.99
59_V	146_Y	0.557	0.98
73_V	79_G	0.549	0.98
226_N	229_P	0.548	0.98
85_K	113_I	0.547	0.98
149_L	152_A	0.547	0.98
175_V	190_L	0.544	0.98
126_K	129_D	0.543	0.98
99_L	103_E	0.542	0.98
60_I	88_T	0.542	0.98
140_K	143_F	0.540	0.98
8_L	16_S	0.539	0.98
91_I	150_M	0.538	0.98
17_K	38_D	0.534	0.98
18_N	22_A	0.534	0.98
98_P	168_V	0.534	0.98
268_R	271_G	0.533	0.98
37_A	46_T	0.533	0.98
30_D	69_H	0.532	0.98
36_I	39_V	0.531	0.98
189_T	252_A	0.530	0.98
84_A	87_G	0.528	0.98
236_H	264_M	0.526	0.98
256_L	259_A	0.523	0.98
74_A	104_I	0.520	0.98
185_S	222_V	0.519	0.98
30_D	36_I	0.519	0.98
221_M	226_N	0.519	0.98
148_D	152_A	0.518	0.98
165_A	168_V	0.518	0.98
253_Q	266_A	0.518	0.98
4_G	27_V	0.517	0.98
177_V	214_V	0.514	0.97
6_I	53_I	0.513	0.97
61_I	153_M	0.512	0.97
160_T	200_L	0.510	0.97
217_A	221_M	0.507	0.97
218_K	222_V	0.507	0.97
92_D	101_S	0.506	0.97
14_P	130_G	0.505	0.97
29_A	50_A	0.504	0.97
31_R	72_E	0.503	0.97
158_V	207_G	0.503	0.97
170_K	174_Q	0.502	0.97
16_S	39_V	0.501	0.97
47_A	54_A	0.500	0.97

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
1vpdA	1	1	100	0.353	Contact Map
3ckyA	4	1	100	0.354	Contact Map
3obbA	4	0.9762	100	0.354	Contact Map
3pefA	5	0.9728	100	0.358	Contact Map
3dojA	3	0.9796	100	0.358	Contact Map
3pduA	4	0.9728	100	0.36	Contact Map
1yb4A	4	0.9898	100	0.366	Contact Map
3g0oA	3	0.9592	100	0.369	Contact Map
2uyyA	3	0.9728	100	0.37	Contact Map
4gbjA	2	0.9864	100	0.372	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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