AROE - BACSU - GREMLIN Contacts

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AROE - Shikimate dehydrogenase (NADP(+))

UniProt:	P54374	Sequences: MKKLYGVIGNPIGHSMSPDIHNASLKDLGLDGHYHAFKVEENDLEDAVKGIRALGVQGINVTVPHKVSIMDYLDHIDESAKVLGAVNTVRREGDKLVGYNTDGEGFVKSLMKVLDKPISELSFLMIGAGGAARAIFTTIVRNTPKKFDICNRTLEKAKRLTEATPSFHNKEVLSIKEAEERLEQYDVIIHTTSVGMYPNVDDVPLSLQRAASSAVVCDIVYNPIQTALLKEASQKGLKTLDGVGMFVEQAALSFQLWTGQEPNIEKMRSIVIGKLGGTEC	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	280 (261)
Sequences:	6338 (4663)
Seq/√Len:	288.6

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
225_Q	233_S	4.567	1.00
10_N	38_K	4.073	1.00
77_D	99_Y	3.066	1.00
86_V	98_G	2.924	1.00
255_Q	261_E	2.818	1.00
75_H	97_V	2.800	1.00
75_H	95_K	2.786	1.00
104_E	252_L	2.768	1.00
216_V	228_L	2.625	1.00
122_S	146_K	2.495	1.00
252_L	255_Q	2.481	1.00
67_V	133_R	2.477	1.00
91_R	96_L	2.350	1.00
20_I	250_A	2.194	1.00
124_L	185_Y	2.174	1.00
73_L	98_G	2.145	1.00
73_L	89_V	2.116	1.00
225_Q	230_K	2.099	1.00
135_I	219_I	2.089	1.00
227_A	231_E	2.079	1.00
125_M	136_F	2.033	1.00
90_R	256_L	2.019	1.00
80_A	86_V	1.997	1.00
106_F	217_C	1.983	1.00
68_S	71_D	1.928	1.00
111_M	142_N	1.906	1.00
60_N	253_S	1.890	1.00
92_E	97_V	1.877	1.00
229_L	239_T	1.864	1.00
4_L	35_H	1.858	1.00
108_K	111_M	1.849	1.00
133_R	163_A	1.838	1.00
59_I	89_V	1.827	1.00
216_V	232_A	1.806	1.00
10_N	41_E	1.797	1.00
123_F	144_P	1.766	1.00
10_N	40_E	1.750	1.00
154_L	158_K	1.745	1.00
78_E	81_K	1.735	1.00
46_D	49_K	1.732	1.00
70_M	76_I	1.728	1.00
6_G	37_F	1.722	1.00
9_G	62_T	1.720	1.00
106_F	135_I	1.691	1.00
69_I	89_V	1.690	1.00
69_I	73_L	1.688	1.00
158_K	162_E	1.667	1.00
122_S	186_D	1.625	1.00
43_D	46_D	1.624	1.00
99_Y	256_L	1.601	1.00
211_A	214_A	1.597	1.00
25_L	32_G	1.596	1.00
5_Y	32_G	1.584	1.00
8_I	59_I	1.557	1.00
77_D	97_V	1.557	1.00
65_H	68_S	1.549	1.00
108_K	248_E	1.544	1.00
73_L	86_V	1.527	1.00
89_V	96_L	1.520	1.00
76_I	81_K	1.496	1.00
5_Y	25_L	1.495	1.00
128_A	151_N	1.494	1.00
131_A	219_I	1.475	1.00
92_E	95_K	1.473	1.00
146_K	171_E	1.468	1.00
88_T	101_T	1.467	1.00
34_Y	60_N	1.457	1.00
124_L	150_C	1.448	1.00
148_D	185_Y	1.438	1.00
5_Y	57_Q	1.428	1.00
109_S	217_C	1.427	1.00
45_E	49_K	1.423	1.00
83_L	103_G	1.409	1.00
122_S	148_D	1.408	1.00
79_S	99_Y	1.365	1.00
50_G	53_A	1.363	1.00
74_D	95_K	1.354	1.00
51_I	56_V	1.351	1.00
11_P	14_H	1.344	1.00
109_S	244_G	1.335	1.00
153_T	156_K	1.327	1.00
7_V	36_A	1.326	1.00
10_N	65_H	1.325	1.00
63_V	193_S	1.313	1.00
230_K	234_Q	1.304	1.00
79_S	141_R	1.303	1.00
23_A	27_D	1.294	1.00
39_V	47_A	1.292	1.00
4_L	33_H	1.282	1.00
7_V	12_I	1.278	1.00
82_V	141_R	1.248	1.00
40_E	43_D	1.248	1.00
13_G	38_K	1.240	1.00
136_F	164_T	1.227	1.00
214_A	237_L	1.219	1.00
132_A	191_T	1.209	1.00
52_R	91_R	1.207	1.00
233_S	239_T	1.202	1.00
151_N	193_S	1.191	1.00
52_R	96_L	1.191	1.00
90_R	99_Y	1.188	1.00
137_T	141_R	1.186	1.00
6_G	59_I	1.182	1.00
121_L	186_D	1.180	1.00
215_V	240_L	1.179	1.00
123_F	139_I	1.170	1.00
76_I	98_G	1.167	1.00
248_E	264_I	1.164	1.00
103_G	138_T	1.161	1.00
254_F	258_T	1.159	1.00
75_H	92_E	1.153	1.00
112_K	248_E	1.147	1.00
154_L	174_S	1.133	1.00
76_I	80_A	1.121	1.00
144_P	147_F	1.115	1.00
51_I	59_I	1.112	1.00
195_G	220_V	1.111	1.00
139_I	189_I	1.105	1.00
262_P	267_M	1.092	1.00
148_D	173_L	1.084	1.00
30_L	258_T	1.083	1.00
8_I	61_V	1.078	1.00
25_L	254_F	1.071	1.00
106_F	189_I	1.061	1.00
231_E	234_Q	1.059	1.00
27_D	266_K	1.055	1.00
232_A	237_L	1.055	1.00
44_L	69_I	1.053	1.00
19_D	23_A	1.039	1.00
76_I	86_V	1.034	1.00
82_V	137_T	1.027	1.00
22_N	33_H	1.025	1.00
104_E	108_K	1.013	1.00
45_E	72_Y	1.009	1.00
23_A	26_K	1.009	1.00
231_E	235_K	1.005	1.00
69_I	86_V	0.995	1.00
42_N	68_S	0.989	1.00
12_I	38_K	0.987	1.00
37_F	56_V	0.980	1.00
159_R	163_A	0.973	1.00
251_A	264_I	0.969	1.00
265_E	269_S	0.968	1.00
191_T	219_I	0.966	1.00
70_M	73_L	0.958	1.00
12_I	15_S	0.952	1.00
44_L	72_Y	0.948	1.00
263_N	266_K	0.947	1.00
113_V	240_L	0.946	1.00
203_V	231_E	0.946	1.00
227_A	230_K	0.939	1.00
107_V	111_M	0.939	1.00
39_V	65_H	0.938	1.00
50_G	54_L	0.934	1.00
9_G	12_I	0.931	1.00
116_K	215_V	0.927	1.00
52_R	74_D	0.926	1.00
125_M	132_A	0.926	1.00
247_V	251_A	0.917	1.00
108_K	252_L	0.911	1.00
28_L	260_Q	0.906	1.00
73_L	76_I	0.904	1.00
16_M	19_D	0.903	1.00
136_F	147_F	0.897	1.00
41_E	68_S	0.897	1.00
192_T	195_G	0.896	1.00
52_R	55_G	0.895	1.00
199_N	202_D	0.895	1.00
266_K	270_I	0.891	1.00
45_E	68_S	0.888	1.00
90_R	97_V	0.887	1.00
154_L	172_V	0.885	1.00
244_G	248_E	0.882	1.00
161_T	165_P	0.881	1.00
22_N	26_K	0.872	1.00
107_V	138_T	0.866	1.00
130_G	134_A	0.854	1.00
109_S	248_E	0.850	1.00
47_A	54_L	0.847	1.00
28_L	254_F	0.843	1.00
128_A	149_I	0.840	1.00
24_S	28_L	0.838	1.00
108_K	112_K	0.834	1.00
67_V	156_K	0.831	1.00
188_I	214_A	0.830	1.00
107_V	141_R	0.814	1.00
78_E	82_V	0.814	1.00
91_R	94_D	0.811	1.00
48_V	72_Y	0.808	0.99
61_V	65_H	0.802	0.99
220_V	226_T	0.797	0.99
13_G	36_A	0.797	0.99
85_A	100_N	0.794	0.99
23_A	266_K	0.792	0.99
206_S	209_R	0.790	0.99
20_I	246_F	0.789	0.99
201_D	227_A	0.789	0.99
151_N	157_A	0.788	0.99
122_S	184_Q	0.788	0.99
131_A	191_T	0.788	0.99
116_K	187_V	0.786	0.99
47_A	50_G	0.786	0.99
5_Y	258_T	0.786	0.99
59_I	69_I	0.783	0.99
105_G	245_M	0.778	0.99
174_S	177_E	0.778	0.99
8_I	47_A	0.775	0.99
161_T	170_K	0.775	0.99
139_I	144_P	0.767	0.99
151_N	156_K	0.765	0.99
24_S	254_F	0.765	0.99
150_C	173_L	0.763	0.99
225_Q	229_L	0.761	0.99
21_H	250_A	0.759	0.99
122_S	145_K	0.755	0.99
30_L	254_F	0.755	0.99
207_L	231_E	0.750	0.99
252_L	256_L	0.748	0.99
75_H	81_K	0.745	0.99
215_V	238_K	0.745	0.99
4_L	54_L	0.745	0.99
73_L	96_L	0.743	0.99
121_L	145_K	0.742	0.99
187_V	215_V	0.740	0.99
198_P	227_A	0.739	0.99
117_P	121_L	0.735	0.99
124_L	188_I	0.732	0.99
198_P	201_D	0.731	0.99
24_S	267_M	0.728	0.99
83_L	137_T	0.726	0.99
156_K	159_R	0.724	0.99
63_V	196_M	0.719	0.99
44_L	68_S	0.719	0.99
207_L	235_K	0.714	0.99
109_S	113_V	0.712	0.99
67_V	71_D	0.712	0.99
126_I	192_T	0.711	0.99
155_E	159_R	0.711	0.99
83_L	134_A	0.709	0.99
126_I	175_I	0.709	0.99
112_K	244_G	0.709	0.99
219_I	245_M	0.705	0.99
150_C	175_I	0.705	0.99
159_R	162_E	0.702	0.99
85_A	134_A	0.699	0.99
37_F	47_A	0.699	0.99
132_A	136_F	0.699	0.99
220_V	241_D	0.699	0.99
59_I	91_R	0.698	0.99
16_M	222_N	0.697	0.99
140_V	164_T	0.696	0.99
8_I	39_V	0.696	0.99
203_V	227_A	0.695	0.98
224_I	241_D	0.695	0.98
48_V	69_I	0.693	0.98
210_A	216_V	0.690	0.98
240_L	244_G	0.688	0.98
118_I	121_L	0.688	0.98
225_Q	239_T	0.687	0.98
27_D	263_N	0.686	0.98
216_V	229_L	0.682	0.98
4_L	37_F	0.680	0.98
49_K	52_R	0.677	0.98
48_V	52_R	0.671	0.98
6_G	36_A	0.669	0.98
211_A	237_L	0.667	0.98
14_H	63_V	0.659	0.98
140_V	147_F	0.659	0.98
190_H	228_L	0.659	0.98
21_H	88_T	0.656	0.98
44_L	65_H	0.656	0.98
136_F	149_I	0.654	0.98
125_M	149_I	0.652	0.98
196_M	220_V	0.652	0.98
213_S	237_L	0.650	0.98
103_G	141_R	0.644	0.98
74_D	96_L	0.643	0.98
107_V	142_N	0.639	0.97
69_I	72_Y	0.637	0.97
146_K	169_N	0.634	0.97
88_T	253_S	0.632	0.97
208_Q	235_K	0.632	0.97
34_Y	88_T	0.625	0.97
83_L	100_N	0.625	0.97
103_G	137_T	0.624	0.97
40_E	65_H	0.621	0.97
23_A	270_I	0.620	0.97
30_L	260_Q	0.619	0.97
103_G	107_V	0.618	0.97
77_D	256_L	0.618	0.97
49_K	53_A	0.616	0.97
266_K	269_S	0.613	0.97
89_V	98_G	0.610	0.97
153_T	193_S	0.609	0.97
78_E	141_R	0.609	0.97
110_L	139_I	0.607	0.96
82_V	163_A	0.607	0.96
23_A	267_M	0.606	0.96
126_I	188_I	0.600	0.96
243_V	247_V	0.600	0.96
252_L	261_E	0.600	0.96
210_A	235_K	0.599	0.96
108_K	255_Q	0.599	0.96
113_V	116_K	0.599	0.96
182_L	185_Y	0.597	0.96
113_V	244_G	0.597	0.96
189_I	219_I	0.589	0.96
188_I	216_V	0.589	0.96
244_G	268_R	0.588	0.96
21_H	25_L	0.586	0.96
112_K	268_R	0.585	0.96
7_V	60_N	0.583	0.96
125_M	191_T	0.583	0.96
124_L	182_L	0.582	0.96
254_F	262_P	0.581	0.95
148_D	171_E	0.581	0.95
263_N	267_M	0.581	0.95
126_I	150_C	0.579	0.95
229_L	241_D	0.579	0.95
132_A	151_N	0.579	0.95
46_D	53_A	0.577	0.95
46_D	50_G	0.575	0.95
255_Q	262_P	0.574	0.95
110_L	240_L	0.574	0.95
190_H	220_V	0.573	0.95
253_S	257_W	0.572	0.95
8_I	65_H	0.571	0.95
22_N	35_H	0.568	0.95
192_T	196_M	0.568	0.95
6_G	56_V	0.566	0.95
109_S	240_L	0.564	0.95
123_F	187_V	0.564	0.95
45_E	71_D	0.563	0.95
105_G	109_S	0.558	0.94
118_I	144_P	0.555	0.94
197_Y	222_N	0.554	0.94
128_A	153_T	0.553	0.94
7_V	15_S	0.552	0.94
137_T	164_T	0.551	0.94
161_T	172_V	0.550	0.94
10_N	14_H	0.548	0.94
33_H	36_A	0.547	0.94
225_Q	241_D	0.546	0.94
79_S	103_G	0.546	0.94
194_V	220_V	0.545	0.94
113_V	217_C	0.545	0.94
120_E	145_K	0.543	0.94
122_S	185_Y	0.542	0.94
210_A	231_E	0.541	0.93
19_D	36_A	0.540	0.93
128_A	156_K	0.539	0.93
203_V	207_L	0.539	0.93
185_Y	188_I	0.538	0.93
119_S	143_T	0.538	0.93
113_V	238_K	0.537	0.93
103_G	135_I	0.536	0.93
12_I	62_T	0.535	0.93
70_M	80_A	0.534	0.93
82_V	140_V	0.534	0.93
224_I	243_V	0.534	0.93
8_I	44_L	0.534	0.93
170_K	175_I	0.532	0.93
155_E	158_K	0.531	0.93
24_S	262_P	0.531	0.93
55_G	91_R	0.530	0.93
125_M	139_I	0.529	0.93
79_S	137_T	0.527	0.93
136_F	160_L	0.527	0.93
138_T	142_N	0.527	0.93
196_M	199_N	0.525	0.92
172_V	175_I	0.524	0.92
123_F	189_I	0.522	0.92
4_L	55_G	0.521	0.92
210_A	237_L	0.520	0.92
148_D	181_R	0.520	0.92
173_L	181_R	0.519	0.92
11_P	65_H	0.518	0.92
63_V	220_V	0.517	0.92
131_A	134_A	0.517	0.92
56_V	59_I	0.509	0.91
57_Q	92_E	0.509	0.91
150_C	178_A	0.508	0.91
70_M	86_V	0.507	0.91
157_A	161_T	0.507	0.91
116_K	121_L	0.506	0.91
135_I	189_I	0.505	0.91
251_A	267_M	0.505	0.91
162_E	166_S	0.505	0.91
39_V	50_G	0.502	0.91
205_L	209_R	0.501	0.91
17_S	221_Y	0.500	0.91
264_I	268_R	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	0.9393	100	0.212	Contact Map
4xijA	1	0.925	100	0.222	Contact Map
3t4eA	2	0.975	100	0.226	Contact Map
2o7sA	2	0.9357	100	0.251	Contact Map
3tnlA	2	0.9679	100	0.254	Contact Map
3pwzA	1	0.9607	100	0.265	Contact Map
3phhA	1	0.8964	100	0.269	Contact Map
3jyoA	2	0.9714	100	0.271	Contact Map
3fbtA	2	0.9679	100	0.28	Contact Map
2d5cA	2	0.9393	100	0.294	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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