AROE - HALSA - GREMLIN Contacts

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AROE - Shikimate dehydrogenase (NADP(+))

UniProt:	Q9HS68	Sequences: MDVYGLIGNPVGHSLSPPLHAAAYDECGLDARYVTFEPAPDDAAAAIRGAGALGVAGLNVTAPFKQSAASAVATDSMAARVGAVNTIDFSGAAPRGYNTDVAGVKRAFAHHDVSLSGAQAVVVGAGGAGRAAAFALADAGATVRIANRTRAAADELAADVGGTAVGLGDLPRSLADATVLVHATTVGMDDPDTSPVSADALHDDLAVLDAVYSPVETRLLRDAAAAGATTIDGAWMLLYQGAEAFERWTGLDAPVAAMRAALRARL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	266 (256)
Sequences:	6307 (4639)
Seq/√Len:	289.9

ECOLI - AROE YDIB
BACSU - AROE
HALSA - AROE
SULSO - AROE

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
216_E	224_A	4.599	1.00
9_N	37_E	4.116	1.00
75_D	97_Y	3.119	1.00
246_E	252_D	2.861	1.00
102_A	243_E	2.810	1.00
84_V	96_G	2.808	1.00
207_V	219_L	2.592	1.00
119_Q	142_T	2.591	1.00
243_E	246_E	2.577	1.00
66_Q	130_R	2.545	1.00
89_F	94_P	2.379	1.00
72_V	96_G	2.259	1.00
121_V	177_A	2.220	1.00
132_A	210_A	2.144	1.00
72_V	87_I	2.134	1.00
218_R	222_D	2.110	1.00
216_E	221_R	2.102	1.00
19_L	241_G	2.060	1.00
104_V	208_L	2.047	1.00
78_A	84_V	2.044	1.00
88_D	247_R	2.002	1.00
59_N	244_A	1.996	1.00
90_S	95_R	1.984	1.00
109_A	139_A	1.968	1.00
122_V	133_A	1.938	1.00
67_S	70_S	1.936	1.00
106_R	109_A	1.876	1.00
150_R	154_D	1.862	1.00
207_V	223_A	1.851	1.00
8_G	61_T	1.835	1.00
58_L	87_I	1.825	1.00
3_V	34_V	1.803	1.00
130_R	159_D	1.796	1.00
120_A	141_A	1.781	1.00
68_A	72_V	1.773	1.00
220_L	230_T	1.772	1.00
9_N	40_P	1.766	1.00
104_V	132_A	1.762	1.00
76_S	79_A	1.734	1.00
5_G	36_F	1.707	1.00
69_A	74_T	1.699	1.00
45_A	48_R	1.683	1.00
119_Q	178_T	1.646	1.00
24_Y	31_A	1.633	1.00
154_D	158_A	1.627	1.00
64_F	67_S	1.627	1.00
97_Y	247_R	1.625	1.00
68_A	87_I	1.617	1.00
42_D	45_A	1.608	1.00
202_H	205_L	1.597	1.00
4_Y	31_A	1.583	1.00
75_D	95_R	1.570	1.00
7_I	58_L	1.557	1.00
106_R	239_Y	1.535	1.00
86_T	99_T	1.522	1.00
87_I	94_P	1.513	1.00
4_Y	24_Y	1.505	1.00
90_S	93_A	1.502	1.00
128_A	210_A	1.497	1.00
33_Y	59_N	1.492	1.00
72_V	84_V	1.484	1.00
125_A	147_N	1.484	1.00
74_T	79_A	1.481	1.00
121_V	146_A	1.474	1.00
44_A	48_R	1.464	1.00
119_Q	144_R	1.460	1.00
107_A	208_L	1.443	1.00
73_A	93_A	1.442	1.00
81_V	101_V	1.440	1.00
4_Y	56_A	1.419	1.00
149_T	152_A	1.413	1.00
144_R	177_A	1.412	1.00
49_G	52_A	1.403	1.00
10_P	13_H	1.397	1.00
50_A	55_V	1.389	1.00
77_M	97_Y	1.367	1.00
6_L	35_T	1.362	1.00
9_N	64_F	1.354	1.00
62_A	185_T	1.351	1.00
77_M	138_D	1.342	1.00
80_R	138_D	1.339	1.00
6_L	11_V	1.331	1.00
221_R	225_A	1.320	1.00
107_A	235_W	1.317	1.00
38_P	46_A	1.310	1.00
39_A	42_D	1.310	1.00
9_N	39_A	1.302	1.00
142_T	163_T	1.293	1.00
22_A	26_E	1.290	1.00
12_G	37_E	1.255	1.00
205_L	228_A	1.238	1.00
147_N	185_T	1.238	1.00
129_G	183_A	1.229	1.00
118_A	178_T	1.229	1.00
133_A	160_V	1.223	1.00
5_G	58_L	1.220	1.00
224_A	230_T	1.214	1.00
51_G	89_F	1.209	1.00
101_V	135_A	1.201	1.00
134_F	138_D	1.198	1.00
51_G	94_P	1.194	1.00
3_V	32_R	1.172	1.00
253_A	258_M	1.171	1.00
74_T	96_G	1.170	1.00
245_F	249_T	1.167	1.00
120_A	136_L	1.164	1.00
206_A	231_I	1.162	1.00
113_V	206_A	1.159	1.00
88_D	97_Y	1.152	1.00
110_H	239_Y	1.149	1.00
50_A	58_L	1.144	1.00
187_G	211_V	1.137	1.00
239_Y	255_V	1.136	1.00
7_I	60_V	1.129	1.00
223_A	228_A	1.119	1.00
136_L	181_V	1.119	1.00
74_T	78_A	1.111	1.00
18_P	22_A	1.102	1.00
43_A	68_A	1.085	1.00
29_L	249_T	1.084	1.00
24_Y	245_F	1.083	1.00
80_R	134_F	1.071	1.00
222_D	226_A	1.053	1.00
222_D	225_A	1.053	1.00
22_A	25_D	1.048	1.00
26_E	257_A	1.047	1.00
51_G	73_A	1.046	1.00
102_A	106_R	1.033	1.00
11_V	37_E	1.027	1.00
21_A	32_R	1.017	1.00
41_D	67_S	1.016	1.00
104_V	181_V	1.004	1.00
44_A	71_A	1.003	1.00
11_V	14_S	0.996	1.00
36_F	55_V	0.995	1.00
254_P	257_A	0.990	1.00
74_T	84_V	0.978	1.00
157_A	161_G	0.974	1.00
68_A	84_V	0.972	1.00
105_K	109_A	0.972	1.00
40_P	67_S	0.967	1.00
69_A	72_V	0.961	1.00
183_A	210_A	0.956	1.00
155_E	159_D	0.953	1.00
49_G	53_L	0.951	1.00
51_G	54_G	0.948	1.00
122_V	129_G	0.947	1.00
15_L	18_P	0.944	1.00
106_R	243_E	0.943	1.00
218_R	221_R	0.943	1.00
127_G	131_A	0.942	1.00
133_A	143_V	0.938	1.00
235_W	239_Y	0.934	1.00
242_A	255_V	0.933	1.00
38_P	64_F	0.932	1.00
238_L	242_A	0.931	1.00
111_H	231_I	0.930	1.00
88_D	95_R	0.923	1.00
166_G	169_D	0.918	1.00
125_A	145_I	0.913	1.00
27_C	251_L	0.905	1.00
44_A	67_S	0.899	1.00
43_A	71_A	0.899	1.00
184_T	187_G	0.896	1.00
21_A	25_D	0.891	1.00
89_F	92_A	0.887	1.00
23_A	27_C	0.887	1.00
60_V	64_F	0.879	1.00
8_G	11_V	0.876	1.00
128_A	183_A	0.873	1.00
211_V	217_T	0.865	1.00
66_Q	152_A	0.864	1.00
105_K	135_A	0.857	1.00
105_K	138_D	0.856	1.00
180_L	205_L	0.855	1.00
27_C	245_F	0.848	1.00
146_A	165_V	0.847	1.00
103_G	236_M	0.842	1.00
47_I	71_A	0.835	1.00
190_D	218_R	0.835	1.00
107_A	239_Y	0.834	1.00
147_N	153_A	0.834	1.00
19_L	237_L	0.828	1.00
106_R	110_H	0.826	1.00
12_G	35_T	0.823	1.00
167_L	170_L	0.819	1.00
4_Y	249_T	0.814	1.00
113_V	179_V	0.813	1.00
150_R	166_G	0.810	1.00
194_S	222_D	0.809	1.00
76_S	80_R	0.808	1.00
46_A	53_L	0.803	0.99
119_Q	176_D	0.801	0.99
216_E	220_L	0.796	0.99
58_L	68_A	0.791	0.99
22_A	257_A	0.789	0.99
147_N	152_A	0.786	0.99
83_A	98_N	0.784	0.99
7_I	46_A	0.782	0.99
169_D	172_R	0.778	0.99
136_L	141_A	0.772	0.99
29_L	245_F	0.770	0.99
46_A	49_G	0.770	0.99
129_G	133_A	0.769	0.99
198_A	222_D	0.769	0.99
151_A	155_E	0.764	0.99
23_A	245_F	0.761	0.99
62_A	188_M	0.758	0.99
47_I	68_A	0.758	0.99
3_V	53_L	0.750	0.99
23_A	258_M	0.747	0.99
20_H	241_G	0.743	0.99
137_A	160_V	0.742	0.99
243_E	247_R	0.738	0.99
198_A	226_A	0.737	0.99
15_L	213_S	0.735	0.99
66_Q	70_S	0.730	0.99
210_A	236_M	0.729	0.99
7_I	38_P	0.724	0.99
133_A	145_I	0.723	0.99
179_V	206_A	0.722	0.99
206_A	229_T	0.721	0.99
72_V	94_P	0.720	0.99
43_A	67_S	0.717	0.99
81_V	134_F	0.717	0.99
47_I	51_G	0.716	0.99
26_E	254_P	0.713	0.99
36_F	46_A	0.712	0.99
216_E	230_T	0.712	0.99
198_A	225_A	0.712	0.99
152_A	155_E	0.711	0.99
192_D	195_P	0.711	0.99
110_H	235_W	0.711	0.99
58_L	89_F	0.710	0.99
13_H	62_A	0.710	0.99
201_L	207_V	0.708	0.99
73_A	94_P	0.708	0.99
123_V	184_T	0.706	0.99
231_I	235_W	0.706	0.99
121_V	180_L	0.700	0.99
20_H	86_T	0.698	0.99
107_A	111_H	0.696	0.99
43_A	64_F	0.696	0.99
101_V	134_F	0.694	0.98
204_D	228_A	0.692	0.98
137_A	143_V	0.689	0.98
201_L	222_D	0.688	0.98
81_V	131_A	0.687	0.98
155_E	158_A	0.685	0.98
207_V	220_L	0.682	0.98
215_V	232_D	0.681	0.98
48_R	51_G	0.679	0.98
3_V	36_F	0.679	0.98
101_V	138_D	0.677	0.98
146_A	167_L	0.676	0.98
182_H	219_L	0.676	0.98
153_A	157_A	0.675	0.98
199_D	226_A	0.671	0.98
211_V	232_D	0.670	0.98
83_A	131_A	0.670	0.98
235_W	259_R	0.668	0.98
115_L	141_A	0.666	0.98
81_V	98_N	0.666	0.98
5_G	35_T	0.666	0.98
75_D	247_R	0.664	0.98
243_E	252_D	0.663	0.98
121_V	174_L	0.663	0.98
20_H	24_Y	0.662	0.98
22_A	258_M	0.662	0.98
144_R	165_V	0.660	0.98
188_M	211_V	0.660	0.98
44_A	70_S	0.655	0.98
68_A	71_A	0.652	0.98
194_S	198_A	0.649	0.98
123_V	146_A	0.648	0.98
122_V	145_I	0.647	0.98
86_T	244_A	0.647	0.98
201_L	228_A	0.643	0.98
76_S	138_D	0.641	0.97
234_A	238_L	0.638	0.97
105_K	139_A	0.636	0.97
220_L	232_D	0.627	0.97
80_R	159_D	0.626	0.97
101_V	105_K	0.622	0.97
45_A	49_G	0.622	0.97
33_Y	86_T	0.621	0.97
177_A	180_L	0.618	0.97
115_L	118_A	0.618	0.97
164_A	167_L	0.614	0.97
168_G	171_P	0.613	0.97
111_H	229_T	0.613	0.97
29_L	251_L	0.612	0.97
201_L	226_A	0.610	0.97
174_L	177_A	0.607	0.97
106_R	246_E	0.600	0.96
110_H	259_R	0.598	0.96
150_R	164_A	0.598	0.96
103_G	107_A	0.598	0.96
111_H	235_W	0.596	0.96
6_L	59_N	0.595	0.96
119_Q	177_A	0.595	0.96
120_A	181_V	0.593	0.96
9_N	41_D	0.591	0.96
123_V	180_L	0.591	0.96
123_V	167_L	0.589	0.96
108_F	231_I	0.586	0.96
144_R	173_S	0.584	0.96
107_A	231_I	0.583	0.96
193_T	218_R	0.583	0.96
9_N	13_H	0.581	0.96
244_A	248_W	0.579	0.95
192_D	218_R	0.577	0.95
113_V	229_T	0.577	0.95
7_I	64_F	0.573	0.95
151_A	154_D	0.569	0.95
135_A	139_A	0.569	0.95
181_V	210_A	0.569	0.95
120_A	179_V	0.568	0.95
80_R	137_A	0.565	0.95
149_T	185_T	0.563	0.95
254_P	258_M	0.562	0.95
213_S	237_L	0.561	0.95
87_I	96_G	0.561	0.95
69_A	78_A	0.561	0.95
7_I	43_A	0.560	0.95
56_A	90_S	0.557	0.94
242_A	258_M	0.557	0.94
77_M	134_F	0.556	0.94
54_G	89_F	0.556	0.94
134_F	160_V	0.555	0.94
182_H	211_V	0.554	0.94
11_V	213_S	0.554	0.94
10_P	64_F	0.553	0.94
5_G	55_V	0.553	0.94
153_A	164_A	0.553	0.94
18_P	35_T	0.553	0.94
146_A	170_L	0.552	0.94
101_V	132_A	0.548	0.94
122_V	183_A	0.546	0.94
32_R	35_T	0.545	0.94
116_S	140_G	0.545	0.94
128_A	131_A	0.545	0.94
114_S	118_A	0.545	0.94
245_F	253_A	0.545	0.94
180_L	207_V	0.544	0.94
89_F	93_A	0.544	0.94
21_A	30_D	0.544	0.94
11_V	61_T	0.544	0.94
16_S	237_L	0.543	0.94
189_D	213_S	0.542	0.94
55_V	58_L	0.541	0.94
62_A	211_V	0.540	0.93
255_V	259_R	0.535	0.93
77_M	101_V	0.534	0.93
215_V	234_A	0.533	0.93
163_T	166_G	0.532	0.93
216_E	232_D	0.532	0.93
189_D	192_D	0.532	0.93
59_N	86_T	0.531	0.93
125_A	149_T	0.531	0.93
186_V	211_V	0.530	0.93
3_V	54_G	0.529	0.93
21_A	34_V	0.529	0.93
132_A	181_V	0.528	0.93
111_H	208_L	0.527	0.93
108_F	136_L	0.527	0.93
202_H	228_A	0.526	0.93
125_A	152_A	0.524	0.92
24_Y	248_W	0.521	0.92
122_V	136_L	0.519	0.92
125_A	129_G	0.519	0.92
165_V	169_D	0.519	0.92
129_G	147_N	0.518	0.92
184_T	188_M	0.517	0.92
39_A	64_F	0.513	0.92
246_E	253_A	0.508	0.91
109_A	114_S	0.506	0.91
220_L	224_A	0.506	0.91
23_A	253_A	0.504	0.91
197_S	200_A	0.503	0.91
215_V	220_L	0.503	0.91
83_A	128_A	0.503	0.91
38_P	49_G	0.501	0.91
145_I	156_L	0.500	0.91

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
1npyA	1	0.9662	100	0.209	Contact Map
3t4eA	2	1	100	0.211	Contact Map
4xijA	1	0.9474	100	0.219	Contact Map
2o7sA	2	0.9511	100	0.243	Contact Map
3phhA	1	0.9361	100	0.245	Contact Map
3tnlA	2	0.9887	100	0.251	Contact Map
3pwzA	1	0.9887	100	0.26	Contact Map
3jyoA	2	0.9962	100	0.261	Contact Map
2d5cA	2	0.9774	100	0.271	Contact Map
3fbtA	2	0.985	100	0.272	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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