AROE - SULSO - GREMLIN Contacts

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AROE - Shikimate dehydrogenase (NADP(+))

UniProt:	Q980I8	Sequences: MLEEINYDTKLFGLIGKNIKYTLSPYIHNFSFRTLGINAVYLVFDLDEMKFKRSISGILEIAEGLNVTIPYKDEVMKYLDNTDTHSTRIQAVNTIYKKSGYNTDYLAIKNLVRKKIKNVSGYECYIYGAGGAAKAAAFALSELGCSSISIVNRTKSRAYELAELLNKNGYNASIKENCNITNNILIVNSTPNSSVVPEDCVKKSDLVIEFVYRPVETELIKNAKKYGIQYINGLEILVNQAVEAEKIWFNKSVADEKIIEYLYARELVW	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	269 (252)
Sequences:	6317 (4702)
Seq/√Len:	296.2

ECOLI - YDIB AROE
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_K	4.698	1.00
17_K	45_D	4.167	1.00
83_D	101_Y	3.211	1.00
92_V	100_G	2.961	1.00
246_K	252_S	2.925	1.00
106_L	243_E	2.873	1.00
207_V	219_L	2.688	1.00
243_E	246_K	2.570	1.00
73_D	134_K	2.546	1.00
123_E	147_S	2.419	1.00
79_L	95_I	2.356	1.00
125_Y	183_N	2.235	1.00
136_A	210_F	2.216	1.00
79_L	100_G	2.211	1.00
218_E	222_N	2.203	1.00
27_I	241_A	2.197	1.00
10_K	63_E	2.193	1.00
216_E	221_K	2.179	1.00
96_Y	247_I	2.101	1.00
86_S	92_V	2.059	1.00
126_I	137_A	2.058	1.00
108_I	208_I	2.049	1.00
74_E	77_K	2.018	1.00
155_K	159_Y	1.965	1.00
113_R	143_L	1.950	1.00
11_L	42_L	1.946	1.00
66_N	244_A	1.939	1.00
124_C	145_C	1.872	1.00
65_L	95_I	1.869	1.00
110_N	113_R	1.855	1.00
134_K	164_L	1.852	1.00
207_V	223_A	1.850	1.00
17_K	47_D	1.827	1.00
220_I	230_Y	1.824	1.00
17_K	48_E	1.813	1.00
16_G	68_T	1.805	1.00
76_M	82_T	1.776	1.00
13_G	44_F	1.775	1.00
108_I	136_A	1.753	1.00
84_T	87_T	1.742	1.00
75_V	79_L	1.717	1.00
75_V	95_I	1.711	1.00
53_R	56_S	1.711	1.00
123_E	184_I	1.658	1.00
202_K	205_D	1.656	1.00
32_F	39_A	1.650	1.00
101_Y	247_I	1.646	1.00
110_N	239_N	1.633	1.00
12_F	39_A	1.629	1.00
71_Y	74_E	1.607	1.00
15_I	65_L	1.588	1.00
79_L	92_V	1.570	1.00
82_T	87_T	1.562	1.00
12_F	32_F	1.561	1.00
125_Y	151_V	1.559	1.00
159_Y	163_E	1.558	1.00
41_Y	66_N	1.553	1.00
129_A	152_N	1.520	1.00
132_A	210_F	1.507	1.00
149_S	183_N	1.486	1.00
123_E	149_S	1.480	1.00
89_I	105_Y	1.478	1.00
94_T	103_T	1.477	1.00
111_L	208_I	1.456	1.00
154_T	157_R	1.439	1.00
85_H	101_Y	1.434	1.00
18_N	21_Y	1.433	1.00
57_G	60_E	1.425	1.00
52_K	56_S	1.408	1.00
69_I	191_P	1.401	1.00
111_L	235_E	1.391	1.00
12_F	63_E	1.386	1.00
58_I	62_A	1.381	1.00
50_K	53_R	1.381	1.00
59_L	97_K	1.381	1.00
30_F	34_T	1.378	1.00
221_K	225_K	1.365	1.00
14_L	43_V	1.344	1.00
11_L	40_V	1.343	1.00
85_H	142_E	1.340	1.00
17_K	71_Y	1.327	1.00
46_L	54_S	1.326	1.00
152_N	191_P	1.315	1.00
88_R	142_E	1.306	1.00
14_L	19_I	1.302	1.00
122_Y	184_I	1.292	1.00
20_K	45_D	1.273	1.00
205_D	228_I	1.268	1.00
47_D	50_K	1.246	1.00
13_G	65_L	1.237	1.00
224_K	230_Y	1.222	1.00
96_Y	101_Y	1.214	1.00
133_A	189_S	1.207	1.00
11_L	61_I	1.199	1.00
206_L	231_I	1.190	1.00
105_Y	139_A	1.187	1.00
57_G	61_I	1.186	1.00
239_N	255_D	1.183	1.00
58_I	65_L	1.174	1.00
82_T	100_G	1.169	1.00
81_N	98_K	1.168	1.00
124_C	140_L	1.165	1.00
114_K	239_N	1.153	1.00
138_F	142_E	1.149	1.00
137_A	165_L	1.146	1.00
32_F	245_E	1.145	1.00
15_I	67_V	1.143	1.00
245_E	249_F	1.140	1.00
82_T	86_S	1.133	1.00
223_A	228_I	1.132	1.00
145_C	148_I	1.121	1.00
222_N	225_K	1.110	1.00
59_L	80_D	1.103	1.00
123_E	146_S	1.089	1.00
19_I	45_D	1.084	1.00
140_L	187_V	1.081	1.00
34_T	257_K	1.080	1.00
26_Y	30_F	1.077	1.00
106_L	110_N	1.077	1.00
51_F	75_V	1.051	1.00
222_N	226_Y	1.051	1.00
29_N	40_V	1.047	1.00
88_R	138_F	1.045	1.00
30_F	33_R	1.043	1.00
256_E	260_E	1.041	1.00
160_E	164_L	1.040	1.00
253_V	258_I	1.030	1.00
82_T	92_V	1.029	1.00
37_I	249_F	1.028	1.00
52_K	78_Y	1.026	1.00
108_I	187_V	1.024	1.00
49_M	74_E	1.021	1.00
126_I	133_A	1.013	1.00
115_K	231_I	0.987	1.00
117_K	206_L	0.984	1.00
44_F	62_A	0.980	1.00
189_S	210_F	0.972	1.00
19_I	22_T	0.970	1.00
75_V	92_V	0.967	1.00
162_A	166_N	0.964	1.00
254_A	257_K	0.961	1.00
110_N	243_E	0.958	1.00
52_K	74_E	0.955	1.00
218_E	221_K	0.954	1.00
76_M	79_L	0.953	1.00
194_S	197_P	0.949	1.00
109_K	113_R	0.946	1.00
238_V	242_V	0.941	1.00
23_L	26_Y	0.930	1.00
79_L	82_T	0.929	1.00
242_V	255_D	0.929	1.00
137_A	148_I	0.929	1.00
51_F	78_Y	0.927	1.00
55_I	78_Y	0.926	1.00
35_L	251_K	0.924	1.00
211_V	217_T	0.924	1.00
46_L	71_Y	0.924	1.00
16_G	19_I	0.916	1.00
235_E	239_N	0.915	1.00
257_K	261_Y	0.901	1.00
35_L	245_E	0.900	1.00
54_S	61_I	0.900	1.00
48_E	74_E	0.894	1.00
131_G	135_A	0.890	1.00
129_A	150_I	0.884	1.00
109_K	139_A	0.883	1.00
194_S	222_N	0.868	1.00
31_S	35_L	0.864	1.00
29_N	33_R	0.863	1.00
111_L	239_N	0.845	1.00
140_L	145_C	0.840	1.00
73_D	157_R	0.839	1.00
84_T	88_R	0.837	1.00
152_N	157_R	0.833	1.00
54_S	57_G	0.827	1.00
132_A	189_S	0.826	1.00
110_N	114_K	0.825	1.00
67_V	71_Y	0.825	1.00
123_E	182_N	0.824	1.00
91_A	102_N	0.819	1.00
109_K	142_E	0.816	1.00
173_S	176_E	0.814	1.00
31_S	245_E	0.810	1.00
186_I	205_D	0.807	1.00
107_A	236_I	0.805	1.00
65_L	97_K	0.802	1.00
15_I	54_S	0.801	1.00
27_I	237_L	0.800	1.00
28_H	241_A	0.795	0.99
81_N	87_T	0.794	0.99
152_N	158_A	0.788	0.99
216_E	220_I	0.781	0.99
166_N	169_G	0.781	0.99
198_E	222_N	0.781	0.99
20_K	43_V	0.775	0.99
215_V	232_N	0.770	0.99
201_V	228_I	0.769	0.99
30_F	257_K	0.768	0.99
243_E	247_I	0.767	0.99
12_F	249_F	0.764	0.99
201_V	207_V	0.760	0.99
65_L	75_V	0.758	0.99
73_D	77_K	0.758	0.99
192_N	195_V	0.758	0.99
125_Y	186_I	0.754	0.99
89_I	138_F	0.753	0.99
157_R	160_E	0.753	0.99
119_V	122_Y	0.751	0.99
37_I	245_E	0.748	0.99
56_S	59_L	0.744	0.99
216_E	230_Y	0.744	0.99
11_L	44_F	0.735	0.99
114_K	235_E	0.734	0.99
211_V	232_N	0.731	0.99
127_Y	190_T	0.730	0.99
44_F	54_S	0.729	0.99
31_S	258_I	0.728	0.99
34_T	254_A	0.724	0.99
206_L	229_Q	0.724	0.99
111_L	115_K	0.721	0.99
23_L	213_R	0.720	0.99
210_F	236_I	0.720	0.99
55_I	75_V	0.718	0.99
193_S	218_E	0.718	0.99
231_I	235_E	0.714	0.99
197_P	200_C	0.712	0.99
15_I	46_L	0.708	0.99
21_Y	69_I	0.707	0.99
137_A	150_I	0.706	0.99
51_F	74_E	0.704	0.99
91_A	135_A	0.697	0.99
185_L	206_L	0.696	0.99
207_V	220_I	0.686	0.98
133_A	137_A	0.685	0.98
55_I	59_L	0.683	0.98
119_V	145_C	0.683	0.98
160_E	163_E	0.682	0.98
198_E	226_Y	0.678	0.98
204_S	228_I	0.677	0.98
75_V	78_Y	0.676	0.98
53_R	57_G	0.676	0.98
243_E	252_S	0.676	0.98
13_G	43_V	0.672	0.98
188_N	219_L	0.672	0.98
51_F	71_Y	0.671	0.98
202_K	228_I	0.670	0.98
89_I	135_A	0.665	0.98
47_D	71_Y	0.657	0.98
156_S	160_E	0.656	0.98
198_E	225_K	0.656	0.98
94_T	244_A	0.652	0.98
105_Y	138_F	0.650	0.98
122_Y	146_S	0.650	0.98
30_F	258_I	0.650	0.98
28_H	32_F	0.649	0.98
165_L	168_N	0.644	0.98
41_Y	94_T	0.639	0.98
235_E	259_I	0.638	0.98
28_H	94_T	0.638	0.98
201_V	222_N	0.637	0.98
110_N	246_K	0.634	0.97
234_L	238_V	0.631	0.97
37_I	251_K	0.628	0.97
127_Y	186_I	0.628	0.97
69_I	211_V	0.627	0.97
126_I	150_I	0.626	0.97
158_A	162_A	0.625	0.97
13_G	62_A	0.624	0.97
109_K	143_L	0.622	0.97
117_K	185_L	0.621	0.97
186_I	207_V	0.620	0.97
88_R	164_L	0.619	0.97
112_V	140_L	0.618	0.97
124_C	185_L	0.616	0.97
115_K	235_E	0.616	0.97
199_D	226_Y	0.616	0.97
127_Y	151_V	0.614	0.97
112_V	231_I	0.613	0.97
154_T	191_P	0.612	0.97
188_N	211_V	0.612	0.97
14_L	66_N	0.612	0.97
95_I	100_G	0.611	0.97
15_I	71_Y	0.610	0.97
52_K	77_K	0.610	0.97
84_T	142_E	0.608	0.97
111_L	231_I	0.605	0.97
114_K	259_I	0.604	0.97
141_S	148_I	0.602	0.97
125_Y	180_I	0.600	0.97
105_Y	142_E	0.598	0.96
180_I	183_N	0.597	0.96
17_K	21_Y	0.597	0.96
89_I	102_N	0.594	0.96
220_I	232_N	0.591	0.96
107_A	111_L	0.590	0.96
83_D	247_I	0.589	0.96
105_Y	109_K	0.589	0.96
183_N	186_I	0.589	0.96
187_V	210_F	0.587	0.96
115_K	229_Q	0.586	0.96
123_E	183_N	0.583	0.96
192_N	218_E	0.579	0.96
53_R	60_E	0.579	0.96
165_L	169_G	0.576	0.96
190_T	211_V	0.575	0.96
141_S	165_L	0.574	0.96
244_A	248_W	0.573	0.95
26_Y	43_V	0.571	0.95
67_V	95_I	0.571	0.95
126_I	189_S	0.567	0.95
166_N	170_Y	0.567	0.95
139_A	143_L	0.567	0.95
155_K	173_S	0.566	0.95
11_L	57_G	0.565	0.95
133_A	152_N	0.565	0.95
56_S	60_E	0.564	0.95
254_A	258_I	0.564	0.95
63_E	98_K	0.564	0.95
76_M	86_S	0.561	0.95
58_I	97_K	0.560	0.95
245_E	253_V	0.560	0.95
118_N	122_Y	0.560	0.95
14_L	22_T	0.558	0.95
62_A	65_L	0.555	0.95
120_S	144_G	0.554	0.95
30_F	261_Y	0.554	0.95
138_F	165_L	0.551	0.94
126_I	140_L	0.551	0.94
215_V	234_L	0.551	0.94
15_I	51_F	0.549	0.94
213_R	237_L	0.549	0.94
129_A	154_T	0.548	0.94
121_G	146_S	0.544	0.94
18_N	71_Y	0.543	0.94
81_N	84_T	0.541	0.94
124_C	187_V	0.540	0.94
85_H	138_F	0.540	0.94
156_S	159_Y	0.539	0.94
85_H	105_Y	0.538	0.94
66_N	94_T	0.538	0.94
19_I	213_R	0.536	0.94
115_K	208_I	0.533	0.93
171_N	176_E	0.532	0.93
257_K	260_E	0.532	0.93
127_Y	196_V	0.531	0.93
178_C	181_T	0.529	0.93
169_G	176_E	0.527	0.93
31_S	253_V	0.526	0.93
24_S	212_Y	0.525	0.93
40_V	43_V	0.524	0.93
132_A	135_A	0.523	0.93
11_L	43_V	0.522	0.93
112_V	206_L	0.520	0.93
255_D	259_I	0.519	0.92
169_G	172_A	0.519	0.92
19_I	68_T	0.518	0.92
242_V	258_I	0.518	0.92
246_K	253_V	0.516	0.92
216_E	232_N	0.516	0.92
113_R	119_V	0.515	0.92
162_A	165_L	0.514	0.92
163_E	167_K	0.513	0.92
88_R	141_S	0.512	0.92
69_I	213_R	0.510	0.92
169_G	175_K	0.510	0.92
91_A	132_A	0.510	0.92
201_V	223_A	0.509	0.92
105_Y	136_A	0.507	0.92
54_S	58_I	0.506	0.92
32_F	248_W	0.505	0.91
29_N	38_N	0.503	0.91
136_A	187_V	0.503	0.91
201_V	226_Y	0.502	0.91
129_A	133_A	0.502	0.91
85_H	89_I	0.502	0.91
194_S	198_E	0.501	0.91
232_N	235_E	0.500	0.91
105_Y	111_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	0.948	100	0.224	Contact Map
4xijA	1	0.948	100	0.23	Contact Map
3t4eA	2	0.9703	100	0.247	Contact Map
3tnlA	2	0.9777	100	0.278	Contact Map
2o7sA	2	0.9442	100	0.279	Contact Map
3phhA	1	0.9033	100	0.282	Contact Map
3jyoA	2	0.9628	100	0.297	Contact Map
3pwzA	1	0.9554	100	0.297	Contact Map
2d5cA	2	0.9405	100	0.298	Contact Map
3fbtA	2	0.9591	100	0.303	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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