NAGK - ECOLI - GREMLIN Contacts

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NAGK - N-acetyl-D-glucosamine kinase

UniProt:	P75959	Sequences: MYYGFDIGGTKIALGVFDSGRQLQWEKRVPTPRDSYDAFLDAVCELVAEADQRFGCKGSVGIGIPGMPETEDGTLYAANVPAASGKPLRADLSARLDRDVRLDNDANCFALSEAWDDEFTQYPLVMGLILGTGVGGGLIFNGKPITGKSYITGEFGHMRLPVDALTMMGLDFPLRRCGCGQHGCIENYLSGRGFAWLYQHYYHQPLQAPEIIALYDQGDEQARAHVERYLDLLAVCLGNILTIVDPDLVVIGGGLSNFPAITTQLADRLPRHLLPVARVPRIERARHGDAGGMRGAAFLHLTD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13442
Length:	303 (288)
Sequences:	12546 (9659)
Seq/√Len:	569.1

ECOLI - NAGK MAK MLC NANK NAGC YPHH ALSK
BACSU - GLK XYLR SCRK
HALSA - Q9HMA7

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
87_P	90_A	3.213	1.00
103_D	146_T	3.048	1.00
26_E	290_A	2.979	1.00
18_D	22_Q	2.939	1.00
44_C	95_R	2.935	1.00
122_Y	248_L	2.571	1.00
248_L	283_E	2.560	1.00
231_D	268_R	2.532	1.00
17_F	297_A	2.498	1.00
15_G	293_M	2.431	1.00
185_I	236_C	2.424	1.00
119_F	125_V	2.329	1.00
126_M	240_I	2.295	1.00
89_R	93_S	2.242	1.00
149_S	245_D	2.204	1.00
110_A	137_G	2.147	1.00
69_E	72_D	2.141	1.00
227_E	264_Q	2.112	1.00
14_L	46_L	2.077	1.00
27_K	49_E	2.069	1.00
59_S	300_H	2.056	1.00
127_G	252_G	2.052	1.00
109_F	127_G	2.019	1.00
103_D	107_N	1.929	1.00
148_K	247_D	1.922	1.00
197_L	228_R	1.916	1.00
124_L	247_D	1.874	1.00
140_F	145_I	1.864	1.00
158_M	239_N	1.836	1.00
103_D	108_C	1.834	1.00
3_Y	47_V	1.833	1.00
268_R	271_R	1.832	1.00
176_R	182_H	1.826	1.00
110_A	139_I	1.824	1.00
116_D	298_F	1.818	1.00
41_D	95_R	1.809	1.00
262_T	266_A	1.784	1.00
237_L	249_V	1.774	1.00
179_C	184_C	1.762	1.00
269_L	282_I	1.758	1.00
86_K	91_D	1.748	1.00
91_D	94_A	1.744	1.00
60_V	96_L	1.737	1.00
234_A	268_R	1.715	1.00
25_W	53_R	1.710	1.00
90_A	94_A	1.707	1.00
48_A	95_R	1.701	1.00
248_L	281_R	1.686	1.00
214_L	219_D	1.679	1.00
123_P	141_N	1.647	1.00
62_I	92_L	1.602	1.00
207_Q	210_E	1.592	1.00
123_P	247_D	1.591	1.00
266_A	270_P	1.587	1.00
230_L	264_Q	1.584	1.00
14_L	50_A	1.583	1.00
63_G	108_C	1.577	1.00
114_A	125_V	1.574	1.00
112_S	287_H	1.554	1.00
27_K	53_R	1.544	1.00
128_L	237_L	1.524	1.00
177_C	184_C	1.519	1.00
230_L	234_A	1.518	1.00
60_V	98_R	1.511	1.00
122_Y	247_D	1.507	1.00
213_A	217_Q	1.488	1.00
32_P	42_A	1.480	1.00
259_P	262_T	1.449	1.00
11_K	28_R	1.448	1.00
25_W	50_A	1.435	1.00
130_L	233_L	1.434	1.00
241_L	269_L	1.426	1.00
194_F	229_Y	1.425	1.00
268_R	272_H	1.419	1.00
227_E	268_R	1.404	1.00
175_R	196_W	1.404	1.00
197_L	200_H	1.397	1.00
4_G	293_M	1.396	1.00
264_Q	267_D	1.387	1.00
209_P	213_A	1.372	1.00
262_T	284_R	1.371	1.00
230_L	265_L	1.370	1.00
159_R	239_N	1.369	1.00
91_D	95_R	1.355	1.00
235_V	239_N	1.351	1.00
15_G	23_L	1.333	1.00
259_P	284_R	1.331	1.00
177_C	180_G	1.318	1.00
201_Y	224_A	1.318	1.00
5_F	14_L	1.308	1.00
115_W	298_F	1.305	1.00
27_K	46_L	1.305	1.00
125_V	139_I	1.305	1.00
41_D	45_E	1.300	1.00
134_V	189_L	1.297	1.00
122_Y	125_V	1.292	1.00
260_A	263_T	1.285	1.00
198_Y	225_H	1.283	1.00
44_C	96_L	1.277	1.00
40_L	91_D	1.274	1.00
124_L	140_F	1.259	1.00
29_V	46_L	1.257	1.00
103_D	299_L	1.246	1.00
240_I	243_I	1.241	1.00
264_Q	268_R	1.238	1.00
46_L	49_E	1.236	1.00
114_A	139_I	1.234	1.00
35_S	38_A	1.228	1.00
44_C	48_A	1.225	1.00
110_A	125_V	1.223	1.00
162_V	235_V	1.217	1.00
157_H	179_C	1.207	1.00
48_A	96_L	1.197	1.00
126_M	136_G	1.189	1.00
241_L	249_V	1.182	1.00
215_Y	226_V	1.175	1.00
124_L	145_I	1.174	1.00
197_L	201_Y	1.158	1.00
29_V	42_A	1.154	1.00
17_F	23_L	1.144	1.00
5_F	47_V	1.139	1.00
216_D	260_A	1.138	1.00
136_G	155_F	1.137	1.00
107_N	144_P	1.129	1.00
4_G	296_A	1.124	1.00
197_L	225_H	1.114	1.00
126_M	138_L	1.112	1.00
108_C	296_A	1.111	1.00
210_E	213_A	1.100	1.00
18_D	24_Q	1.099	1.00
87_P	91_D	1.090	1.00
215_Y	223_R	1.071	1.00
223_R	227_E	1.063	1.00
29_V	49_E	1.063	1.00
13_A	28_R	1.060	1.00
74_T	87_P	1.060	1.00
267_D	271_R	1.056	1.00
36_Y	91_D	1.055	1.00
29_V	45_E	1.053	1.00
175_R	197_L	1.052	1.00
42_A	45_E	1.048	1.00
198_Y	202_Y	1.047	1.00
63_G	292_G	1.046	1.00
101_R	300_H	1.044	1.00
114_A	142_G	1.024	1.00
230_L	268_R	1.016	1.00
123_P	142_G	1.007	1.00
202_Y	221_Q	1.004	1.00
202_Y	206_L	1.004	1.00
25_W	54_F	1.000	1.00
37_D	91_D	1.000	1.00
235_V	272_H	0.995	1.00
138_L	145_I	0.995	1.00
175_R	200_H	0.993	1.00
161_P	235_V	0.992	1.00
125_V	250_V	0.984	1.00
5_F	43_V	0.982	1.00
16_V	54_F	0.982	1.00
74_T	85_G	0.979	1.00
234_A	272_H	0.979	1.00
228_R	232_L	0.975	1.00
175_R	188_Y	0.969	1.00
9_G	132_T	0.968	1.00
231_D	235_V	0.968	1.00
116_D	294_R	0.965	1.00
212_I	216_D	0.964	1.00
138_L	244_V	0.957	1.00
110_A	127_G	0.957	1.00
212_I	226_V	0.957	1.00
157_H	177_C	0.955	1.00
257_N	289_D	0.954	1.00
237_L	251_I	0.951	1.00
49_E	53_R	0.949	1.00
250_V	283_E	0.949	1.00
11_K	191_G	0.947	1.00
175_R	187_N	0.944	1.00
257_N	284_R	0.941	1.00
45_E	49_E	0.939	1.00
122_Y	281_R	0.934	1.00
106_A	129_I	0.926	1.00
23_L	26_E	0.923	1.00
251_I	256_S	0.921	1.00
120_T	286_R	0.921	1.00
270_P	279_V	0.919	1.00
263_T	267_D	0.917	1.00
64_I	75_L	0.916	1.00
16_V	50_A	0.913	1.00
113_E	117_D	0.908	1.00
4_G	297_A	0.907	1.00
124_L	141_N	0.906	1.00
125_V	248_L	0.906	1.00
93_S	100_V	0.901	1.00
157_H	184_C	0.901	1.00
201_Y	221_Q	0.899	1.00
38_A	41_D	0.893	1.00
227_E	267_D	0.893	1.00
199_Q	204_Q	0.893	1.00
231_D	272_H	0.890	1.00
69_E	76_Y	0.886	1.00
198_Y	222_A	0.883	1.00
92_L	100_V	0.882	1.00
210_E	214_L	0.881	1.00
93_S	99_D	0.880	1.00
262_T	265_L	0.879	1.00
14_L	27_K	0.876	1.00
73_G	89_R	0.876	1.00
51_D	57_K	0.867	1.00
198_Y	211_I	0.867	1.00
138_L	153_G	0.866	1.00
238_G	272_H	0.865	1.00
213_A	216_D	0.865	1.00
263_T	266_A	0.863	1.00
7_I	43_V	0.857	1.00
36_Y	86_K	0.857	1.00
4_G	61_G	0.856	1.00
214_L	222_A	0.852	1.00
214_L	217_Q	0.847	1.00
107_N	154_E	0.842	1.00
104_N	154_E	0.838	1.00
44_C	91_D	0.837	1.00
13_A	26_E	0.833	1.00
12_I	31_T	0.833	1.00
118_E	286_R	0.830	1.00
147_G	152_T	0.830	1.00
221_Q	224_A	0.829	1.00
241_L	280_P	0.829	1.00
7_I	64_I	0.827	1.00
219_D	222_A	0.821	1.00
17_F	294_R	0.814	1.00
126_M	249_V	0.812	1.00
77_A	80_V	0.810	1.00
48_A	51_D	0.808	1.00
109_F	292_G	0.806	1.00
188_Y	232_L	0.805	1.00
54_F	57_K	0.799	1.00
160_L	232_L	0.793	1.00
206_L	210_E	0.792	1.00
117_D	120_T	0.791	1.00
93_S	97_D	0.790	1.00
126_M	246_P	0.787	1.00
259_P	263_T	0.785	1.00
250_V	285_A	0.784	1.00
283_E	286_R	0.783	1.00
224_A	228_R	0.782	1.00
127_G	250_V	0.782	1.00
193_G	196_W	0.776	1.00
124_L	148_K	0.775	1.00
201_Y	225_H	0.774	1.00
78_A	81_P	0.772	1.00
39_F	83_A	0.771	1.00
141_N	145_I	0.770	1.00
242_T	274_L	0.765	1.00
15_G	26_E	0.757	1.00
220_E	224_A	0.757	1.00
51_D	98_R	0.756	1.00
212_I	258_F	0.754	1.00
111_L	114_A	0.752	1.00
237_L	269_L	0.750	1.00
161_P	188_Y	0.749	1.00
147_G	245_D	0.741	1.00
45_E	48_A	0.741	1.00
233_L	265_L	0.740	1.00
161_P	164_A	0.740	1.00
288_G	291_G	0.739	1.00
40_L	95_R	0.739	1.00
117_D	121_Q	0.736	1.00
64_I	68_P	0.735	1.00
197_L	229_Y	0.735	1.00
108_C	299_L	0.734	1.00
119_F	250_V	0.734	1.00
234_A	269_L	0.732	1.00
59_S	99_D	0.728	1.00
61_G	108_C	0.727	1.00
106_A	137_G	0.721	1.00
184_C	187_N	0.721	1.00
118_E	283_E	0.719	1.00
159_R	235_V	0.719	1.00
48_A	52_Q	0.718	1.00
251_I	282_I	0.714	1.00
158_M	236_C	0.707	1.00
238_G	242_T	0.707	1.00
191_G	195_A	0.704	1.00
5_F	60_V	0.704	1.00
118_E	250_V	0.701	1.00
14_L	29_V	0.700	1.00
225_H	229_Y	0.700	1.00
215_Y	222_A	0.699	1.00
220_E	223_R	0.694	1.00
3_Y	51_D	0.694	1.00
195_A	199_Q	0.694	1.00
46_L	50_A	0.691	1.00
181_Q	272_H	0.691	1.00
225_H	228_R	0.689	1.00
38_A	42_A	0.689	1.00
42_A	46_L	0.689	1.00
7_I	39_F	0.688	1.00
162_V	231_D	0.685	1.00
194_F	255_L	0.683	1.00
40_L	86_K	0.681	1.00
160_L	236_C	0.671	1.00
195_A	211_I	0.667	1.00
94_A	97_D	0.664	1.00
77_A	84_S	0.664	1.00
223_R	264_Q	0.664	1.00
160_L	188_Y	0.663	1.00
161_P	175_R	0.662	1.00
89_R	102_L	0.662	1.00
234_A	238_G	0.659	1.00
147_G	153_G	0.659	1.00
41_D	44_C	0.659	1.00
73_G	93_S	0.654	1.00
197_L	232_L	0.654	1.00
12_I	29_V	0.653	1.00
159_R	162_V	0.651	1.00
145_I	244_V	0.649	1.00
51_D	56_C	0.646	1.00
116_D	287_H	0.644	1.00
37_D	41_D	0.643	1.00
159_R	181_Q	0.642	1.00
32_P	38_A	0.640	1.00
261_I	264_Q	0.640	1.00
287_H	294_R	0.638	1.00
267_D	270_P	0.637	1.00
194_F	211_I	0.636	1.00
215_Y	218_G	0.636	1.00
12_I	43_V	0.635	1.00
199_Q	205_P	0.635	1.00
185_I	229_Y	0.634	1.00
290_A	294_R	0.634	1.00
159_R	164_A	0.633	1.00
189_L	229_Y	0.633	1.00
231_D	271_R	0.632	1.00
265_L	269_L	0.632	1.00
181_Q	184_C	0.627	1.00
129_I	292_G	0.626	1.00
192_R	196_W	0.625	1.00
164_A	175_R	0.625	1.00
7_I	12_I	0.625	1.00
90_A	93_S	0.622	1.00
177_C	181_Q	0.621	1.00
237_L	265_L	0.621	1.00
238_G	273_L	0.620	1.00
61_G	300_H	0.612	1.00
10_T	132_T	0.612	1.00
194_F	225_H	0.610	1.00
13_A	293_M	0.609	1.00
266_A	281_R	0.608	1.00
133_G	186_E	0.608	1.00
238_G	269_L	0.608	1.00
101_R	299_L	0.605	1.00
49_E	52_Q	0.605	1.00
50_A	54_F	0.603	1.00
113_E	285_A	0.601	1.00
92_L	96_L	0.598	1.00
8_G	132_T	0.596	1.00
44_C	92_L	0.596	1.00
218_G	223_R	0.594	1.00
83_A	86_K	0.592	1.00
128_L	240_I	0.584	1.00
287_H	291_G	0.584	1.00
180_G	184_C	0.583	1.00
195_A	208_A	0.582	1.00
177_C	183_G	0.580	1.00
161_P	232_L	0.575	1.00
163_D	231_D	0.574	1.00
294_R	297_A	0.574	1.00
89_R	100_V	0.571	0.99
148_K	245_D	0.570	0.99
128_L	155_F	0.568	0.99
246_P	249_V	0.567	0.99
104_N	107_N	0.565	0.99
68_P	75_L	0.564	0.99
152_T	245_D	0.564	0.99
131_G	254_G	0.562	0.99
67_M	76_Y	0.561	0.99
148_K	279_V	0.561	0.99
196_W	200_H	0.558	0.99
177_C	187_N	0.555	0.99
157_H	180_G	0.555	0.99
230_L	261_I	0.553	0.99
105_D	135_G	0.545	0.99
193_G	197_L	0.545	0.99
104_N	133_G	0.545	0.99
113_E	286_R	0.544	0.99
43_V	92_L	0.541	0.99
252_G	285_A	0.539	0.99
113_E	287_H	0.538	0.99
76_Y	85_G	0.537	0.99
40_L	88_L	0.535	0.99
23_L	294_R	0.534	0.99
128_L	136_G	0.534	0.99
155_F	243_I	0.533	0.99
158_M	240_I	0.532	0.99
109_F	129_I	0.531	0.99
70_T	146_T	0.530	0.99
159_R	272_H	0.530	0.99
97_D	100_V	0.530	0.99
198_Y	214_L	0.528	0.99
280_P	284_R	0.527	0.99
3_Y	16_V	0.525	0.99
229_Y	261_I	0.524	0.99
199_Q	202_Y	0.524	0.99
204_Q	210_E	0.523	0.99
73_G	87_P	0.523	0.99
28_R	289_D	0.521	0.99
290_A	293_M	0.519	0.99
158_M	242_T	0.518	0.99
8_G	254_G	0.516	0.99
231_D	264_Q	0.515	0.99
111_L	115_W	0.515	0.99
160_L	185_I	0.515	0.99
31_T	39_F	0.514	0.99
60_V	92_L	0.514	0.99
187_N	196_W	0.511	0.99
137_G	144_P	0.511	0.99
77_A	81_P	0.511	0.99
51_D	96_L	0.511	0.99
155_F	240_I	0.511	0.99
27_K	50_A	0.509	0.99
112_S	298_F	0.509	0.99
164_A	188_Y	0.508	0.99
47_V	96_L	0.508	0.99
186_E	190_S	0.508	0.99
260_A	264_Q	0.508	0.99
127_G	131_G	0.508	0.99
201_Y	228_R	0.507	0.99
109_F	252_G	0.506	0.99
191_G	255_L	0.506	0.99
67_M	77_A	0.502	0.99
211_I	215_Y	0.502	0.99
242_T	277_A	0.501	0.99
12_I	42_A	0.500	0.99

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
2ap1A	2	1	100	0.168	Contact Map
1z05A	2	0.9637	100	0.18	Contact Map
4db3A	2	0.9736	100	0.183	Contact Map
1z6rA	3	0.9637	100	0.191	Contact Map
3vovA	3	0.9538	100	0.196	Contact Map
3vglA	3	0.9604	100	0.199	Contact Map
2yhwA	2	0.9472	100	0.199	Contact Map
2qm1A	2	0.967	100	0.205	Contact Map
4htlA	4	0.9373	100	0.215	Contact Map
2aa4A	2	0.9439	100	0.217	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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