Q9HQN4 - HALSA - GREMLIN Contacts

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Q9HQN4 - Dihydroxynaphthoic acid synthase

UniProt:	Q9HQN4	Sequences: MVSETFDDAAWTAIEEFSFDDITYHRGVEVPAVRIAFDRPAVRNAFRPGTVDELYTALDHARKQADIGCVLLTGNGPSPSDGGWAFCAGGDQSVRGDSGYEYHGDDEAAADDDPAVKRADAGRLHILEVQRLIRTMPKPVVAVVPGWAVGGGHSLHVVCDLTLASREHAKFKQTDPDVASFDGGFGSAYLAKQVGQKTAREIFFLGKTYDAEAAADMGMVNEAVPHDDLEATALEWADEMTAKSPTAMRMLKYAFNMTDDGMVGQQTFAGEATRLAYMTDEAQEGRDAFLDGRDPDFDEYPWHY	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	304 (252)
Sequences:	28446 (18458)
Seq/√Len:	1162.7

ECOLI - PAAG MENB PAAF CAID SCPB FADB FADJ
BACSU - MENB FADB YNGF PKSH YHAR PKSI
HALSA - Q9HQN4 Q9HS32 Q9HQ61
SULSO - Q97VK0 Q97WU7 Q97YL2 Q7LXQ1 Q97VK1 Q980Z9 Q97VS6 Q97VU5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
170_K	208_T	3.182	1.00
222_E	232_T	3.083	1.00
167_E	225_P	2.986	1.00
164_A	220_V	2.952	1.00
142_A	159_C	2.800	1.00
34_R	234_L	2.665	1.00
232_T	235_E	2.637	1.00
62_R	137_P	2.529	1.00
59_D	132_L	2.498	1.00
207_K	239_E	2.411	1.00
168_H	226_H	2.283	1.00
23_T	38_D	2.247	1.00
43_R	84_W	2.244	1.00
213_A	216_D	2.185	1.00
261_G	264_G	2.174	1.00
165_S	168_H	2.152	1.00
210_D	213_A	2.134	1.00
203_F	251_L	2.095	1.00
201_E	207_K	2.073	1.00
34_R	73_T	2.027	1.00
198_T	217_M	1.988	1.00
177_D	243_K	1.979	1.00
143_V	233_A	1.956	1.00
31_P	68_G	1.921	1.00
55_Y	132_L	1.907	1.00
36_A	75_N	1.906	1.00
228_D	231_A	1.889	1.00
143_V	230_E	1.881	1.00
287_D	291_D	1.869	1.00
24_Y	33_V	1.858	1.00
38_D	75_N	1.857	1.00
43_R	85_A	1.857	1.00
149_V	172_K	1.800	1.00
36_A	73_T	1.793	1.00
200_R	256_N	1.789	1.00
49_G	53_E	1.779	1.00
163_L	224_V	1.779	1.00
167_E	212_E	1.774	1.00
33_V	61_A	1.750	1.00
28_V	33_V	1.730	1.00
201_E	221_N	1.724	1.00
284_E	293_R	1.715	1.00
167_E	226_H	1.699	1.00
28_V	64_Q	1.695	1.00
234_L	238_D	1.690	1.00
213_A	217_M	1.674	1.00
70_V	136_M	1.647	1.00
33_V	67_I	1.617	1.00
201_E	222_E	1.566	1.00
228_D	232_T	1.556	1.00
196_Q	200_R	1.555	1.00
212_E	216_D	1.543	1.00
163_L	236_W	1.536	1.00
160_D	252_K	1.519	1.00
164_A	171_F	1.516	1.00
61_A	70_V	1.512	1.00
200_R	255_F	1.505	1.00
60_H	64_Q	1.504	1.00
21_D	53_E	1.495	1.00
165_S	226_H	1.488	1.00
52_D	125_H	1.485	1.00
62_R	132_L	1.480	1.00
25_H	29_E	1.474	1.00
162_T	193_Q	1.465	1.00
21_D	47_R	1.457	1.00
156_H	162_T	1.455	1.00
35_I	57_A	1.438	1.00
224_V	232_T	1.435	1.00
131_R	135_T	1.432	1.00
23_T	75_N	1.424	1.00
131_R	263_V	1.398	1.00
250_M	275_L	1.395	1.00
200_R	204_F	1.394	1.00
30_V	238_D	1.392	1.00
29_E	234_L	1.390	1.00
73_T	145_P	1.368	1.00
145_P	168_H	1.363	1.00
162_T	197_K	1.360	1.00
145_P	165_S	1.340	1.00
24_Y	61_A	1.337	1.00
134_R	189_Y	1.334	1.00
55_Y	59_D	1.325	1.00
215_A	223_A	1.324	1.00
58_L	136_M	1.323	1.00
144_V	156_H	1.314	1.00
133_I	140_V	1.311	1.00
69_C	237_A	1.306	1.00
198_T	201_E	1.299	1.00
29_E	238_D	1.297	1.00
207_K	213_A	1.288	1.00
153_H	173_Q	1.287	1.00
202_I	209_Y	1.282	1.00
84_W	145_P	1.277	1.00
29_E	34_R	1.263	1.00
55_Y	128_E	1.261	1.00
48_P	94_V	1.260	1.00
243_K	248_M	1.248	1.00
73_T	230_E	1.240	1.00
253_Y	257_M	1.226	1.00
147_W	170_K	1.220	1.00
144_V	148_A	1.216	1.00
62_R	136_M	1.205	1.00
197_K	221_N	1.203	1.00
37_F	50_T	1.198	1.00
34_R	230_E	1.198	1.00
47_R	50_T	1.196	1.00
25_H	36_A	1.187	1.00
85_A	147_W	1.181	1.00
229_L	233_A	1.179	1.00
165_S	229_L	1.177	1.00
172_K	208_T	1.176	1.00
198_T	213_A	1.167	1.00
211_A	223_A	1.160	1.00
176_P	206_G	1.153	1.00
282_A	286_R	1.131	1.00
53_E	57_A	1.128	1.00
42_V	93_S	1.109	1.00
37_F	87_C	1.109	1.00
209_Y	217_M	1.108	1.00
39_R	42_V	1.095	1.00
230_E	234_L	1.090	1.00
257_M	268_F	1.088	1.00
135_T	263_V	1.079	1.00
126_I	184_G	1.072	1.00
48_P	52_D	1.053	1.00
21_D	49_G	1.041	1.00
237_A	241_T	1.037	1.00
154_S	186_G	1.036	1.00
25_H	34_R	1.036	1.00
195_G	198_T	1.035	1.00
87_C	152_G	1.032	1.00
23_T	36_A	1.030	1.00
70_V	138_K	1.028	1.00
246_T	281_E	1.012	1.00
53_E	56_T	1.012	1.00
140_V	159_C	1.003	1.00
194_V	198_T	0.993	1.00
28_V	66_D	0.992	1.00
76_G	145_P	0.992	1.00
39_R	91_D	0.982	1.00
225_P	228_D	0.982	1.00
71_L	233_A	0.976	1.00
193_Q	197_K	0.973	1.00
56_T	60_H	0.972	1.00
230_E	233_A	0.965	1.00
137_P	249_R	0.963	1.00
161_L	236_W	0.957	1.00
57_A	60_H	0.956	1.00
73_T	143_V	0.951	1.00
145_P	229_L	0.944	1.00
67_I	138_K	0.936	1.00
215_A	220_V	0.934	1.00
283_Q	287_D	0.927	1.00
32_A	69_C	0.927	1.00
212_E	215_A	0.921	1.00
70_V	140_V	0.920	1.00
24_Y	28_V	0.918	1.00
253_Y	272_A	0.915	1.00
176_P	251_L	0.894	1.00
188_A	265_Q	0.894	1.00
153_H	171_F	0.891	1.00
245_P	249_R	0.891	1.00
196_Q	259_D	0.890	1.00
250_M	272_A	0.887	1.00
143_V	229_L	0.883	1.00
264_G	267_T	0.882	1.00
144_V	171_F	0.882	1.00
34_R	71_L	0.880	1.00
170_K	210_D	0.880	1.00
203_F	255_F	0.869	1.00
250_M	253_Y	0.866	1.00
65_A	138_K	0.863	1.00
187_S	269_A	0.863	1.00
28_V	60_H	0.862	1.00
181_F	276_A	0.862	1.00
268_F	271_E	0.847	1.00
250_M	276_A	0.838	1.00
144_V	162_T	0.829	1.00
231_A	235_E	0.826	1.00
167_E	223_A	0.822	1.00
51_V	129_V	0.822	1.00
254_A	272_A	0.819	1.00
190_L	194_V	0.817	1.00
165_S	227_D	0.816	1.00
161_L	221_N	0.814	1.00
234_L	237_A	0.814	1.00
93_S	290_L	0.813	1.00
235_E	239_E	0.812	1.00
149_V	208_T	0.811	1.00
59_D	63_K	0.808	1.00
35_I	70_V	0.805	1.00
242_A	294_D	0.803	1.00
59_D	128_E	0.803	1.00
240_M	248_M	0.799	1.00
177_D	208_T	0.796	1.00
215_A	222_E	0.793	1.00
202_I	217_M	0.792	1.00
194_V	202_I	0.790	1.00
43_R	88_A	0.788	1.00
268_F	272_A	0.788	1.00
64_Q	67_I	0.782	1.00
52_D	56_T	0.779	1.00
62_R	138_K	0.775	1.00
58_L	133_I	0.773	1.00
154_S	175_D	0.771	1.00
239_E	243_K	0.764	1.00
55_Y	125_H	0.756	1.00
119_A	123_R	0.753	1.00
55_Y	129_V	0.752	1.00
61_A	67_I	0.749	1.00
233_A	237_A	0.748	1.00
48_P	125_H	0.747	1.00
280_D	283_Q	0.747	1.00
144_V	169_A	0.744	1.00
39_R	47_R	0.741	1.00
22_I	57_A	0.737	1.00
188_A	191_A	0.736	1.00
85_A	145_P	0.735	1.00
211_A	220_V	0.735	1.00
272_A	275_L	0.727	1.00
235_E	238_D	0.721	1.00
137_P	253_Y	0.721	1.00
28_V	67_I	0.720	1.00
244_S	281_E	0.718	1.00
117_K	120_D	0.717	1.00
21_D	50_T	0.714	1.00
201_E	205_L	0.714	1.00
130_Q	158_V	0.708	1.00
262_M	266_Q	0.701	1.00
245_P	248_M	0.698	1.00
286_R	290_L	0.698	1.00
181_F	254_A	0.698	1.00
123_R	270_G	0.697	1.00
119_A	271_E	0.697	1.00
157_V	219_M	0.696	1.00
205_L	236_W	0.695	1.00
24_Y	57_A	0.688	1.00
42_V	91_D	0.687	1.00
136_M	140_V	0.685	1.00
46_F	50_T	0.684	1.00
182_D	251_L	0.684	1.00
28_V	31_P	0.683	1.00
222_E	236_W	0.683	1.00
254_A	268_F	0.681	1.00
68_G	245_P	0.680	1.00
145_P	226_H	0.680	1.00
163_L	232_T	0.678	1.00
150_G	174_T	0.677	1.00
232_T	236_W	0.677	1.00
32_A	71_L	0.676	1.00
123_R	128_E	0.675	1.00
175_D	183_G	0.674	1.00
163_L	222_E	0.674	1.00
96_G	287_D	0.672	1.00
238_D	242_A	0.670	1.00
149_V	174_T	0.670	1.00
214_A	219_M	0.669	1.00
64_Q	138_K	0.669	1.00
224_V	229_L	0.668	1.00
43_R	147_W	0.667	1.00
99_G	102_Y	0.667	1.00
31_P	66_D	0.666	1.00
196_Q	255_F	0.663	1.00
267_T	271_E	0.660	1.00
39_R	45_A	0.660	1.00
231_A	234_L	0.660	1.00
47_R	94_V	0.660	1.00
270_G	274_R	0.659	1.00
72_L	140_V	0.655	1.00
196_Q	256_N	0.653	1.00
198_T	215_A	0.653	1.00
49_G	52_D	0.646	1.00
71_L	234_L	0.646	1.00
61_A	138_K	0.643	1.00
173_Q	203_F	0.636	1.00
57_A	61_A	0.633	1.00
71_L	143_V	0.632	1.00
76_G	84_W	0.629	1.00
50_T	53_E	0.628	1.00
90_G	95_R	0.628	1.00
175_D	273_T	0.628	1.00
246_T	279_T	0.626	1.00
220_V	223_A	0.624	1.00
54_L	129_V	0.620	1.00
171_F	220_V	0.615	1.00
172_K	206_G	0.611	1.00
136_M	139_P	0.609	1.00
271_E	275_L	0.609	1.00
59_D	62_R	0.606	1.00
163_L	233_A	0.605	1.00
195_G	199_A	0.597	1.00
209_Y	214_A	0.593	1.00
236_W	239_E	0.593	1.00
56_T	59_D	0.593	1.00
72_L	159_C	0.593	1.00
24_Y	60_H	0.591	1.00
142_A	162_T	0.591	1.00
163_L	229_L	0.590	1.00
251_L	254_A	0.586	1.00
69_C	241_T	0.585	1.00
187_S	265_Q	0.584	1.00
128_E	131_R	0.582	1.00
194_V	217_M	0.581	1.00
35_I	58_L	0.580	1.00
141_V	237_A	0.578	1.00
212_E	223_A	0.578	1.00
153_H	219_M	0.576	1.00
181_F	251_L	0.573	1.00
173_Q	186_G	0.572	1.00
204_F	248_M	0.571	1.00
287_D	290_L	0.570	1.00
164_A	169_A	0.569	1.00
68_G	241_T	0.569	1.00
263_V	267_T	0.565	1.00
35_I	72_L	0.564	1.00
211_A	215_A	0.563	1.00
76_G	85_A	0.562	1.00
161_L	240_M	0.562	1.00
128_E	132_L	0.562	1.00
180_S	282_A	0.561	1.00
188_A	192_K	0.558	1.00
69_C	141_V	0.558	1.00
147_W	208_T	0.558	1.00
210_D	216_D	0.557	1.00
153_H	157_V	0.556	1.00
168_H	211_A	0.555	1.00
154_S	183_G	0.555	1.00
246_T	276_A	0.554	1.00
191_A	258_T	0.553	1.00
32_A	237_A	0.550	1.00
200_R	252_K	0.549	1.00
49_G	94_V	0.547	1.00
205_L	240_M	0.547	1.00
201_E	213_A	0.547	1.00
193_Q	221_N	0.546	1.00
205_L	239_E	0.541	1.00
174_T	178_V	0.539	1.00
119_A	274_R	0.539	1.00
58_L	132_L	0.539	1.00
96_G	290_L	0.539	1.00
175_D	182_D	0.539	1.00
154_S	185_F	0.538	1.00
32_A	234_L	0.537	1.00
145_P	169_A	0.537	1.00
194_V	199_A	0.535	1.00
201_E	236_W	0.534	1.00
176_P	243_K	0.533	1.00
191_A	194_V	0.533	1.00
92_Q	95_R	0.530	1.00
158_V	189_Y	0.528	1.00
198_T	216_D	0.525	1.00
214_A	220_V	0.525	1.00
42_V	45_A	0.524	1.00
284_E	287_D	0.518	1.00
67_I	70_V	0.516	1.00
156_H	159_C	0.514	1.00
154_S	173_Q	0.514	1.00
60_H	63_K	0.513	1.00
46_F	151_G	0.512	1.00
92_Q	178_V	0.511	1.00
177_D	239_E	0.511	1.00
276_A	279_T	0.511	1.00
176_P	248_M	0.510	1.00
58_L	140_V	0.510	1.00
129_V	132_L	0.510	1.00
35_I	61_A	0.509	1.00
61_A	136_M	0.509	1.00
207_K	222_E	0.509	1.00
150_G	173_Q	0.509	1.00
181_F	273_T	0.507	1.00
21_D	39_R	0.506	1.00
280_D	284_E	0.505	1.00
132_L	136_M	0.505	1.00
145_P	230_E	0.504	1.00
252_K	256_N	0.502	1.00
28_V	34_R	0.502	1.00
143_V	237_A	0.501	1.00
154_S	189_Y	0.500	1.00

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
4qiiA	6	0.9836	100	0.167	Contact Map
4jfcA	3	0.8421	100	0.187	Contact Map
4mi2A	3	0.852	100	0.188	Contact Map
4lk5A	3	0.8224	100	0.192	Contact Map
2fbmA	3	0.8191	100	0.192	Contact Map
3i47A	3	0.8454	100	0.193	Contact Map
3g64A	6	0.898	100	0.193	Contact Map
1nzyA	4	0.875	100	0.194	Contact Map
4hdtA	1	0.8553	100	0.194	Contact Map
2uzfA	5	0.8586	100	0.194	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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