NTDB - BACSU - GREMLIN Contacts

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NTDB - Kanosamine-6-phosphate phosphatase

UniProt:	O07565	Sequences: MLLSKKSEYKTLSTVEHPQYIVFCDFDETYFPHTIDEQKQQDIYELEDYLEQKSKDGELIIGWVTGSSIESILDKMGRGKFRYFPHFIASDLGTEITYFSEHNFGQQDNKWNSRINEGFSKEKVEKLVKQLHENHNILLNPQTQLGKSRYKHNFYYQEQDEINDKKNLLAIEKICEEYGVSVNINRCNPLAGDPEDSYDVDFIPIGTGKNEIVTFMLEKYNLNTERAIAFGDSGNDVRMLQTVGNGYLLKNATQEAKNLHNLITDSEYSKGITNTLKKLIGS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	282 (232)
Sequences:	11330 (9494)
Seq/√Len:	623.3

ECOLI - SUPH YBJI YIDA YBHA YIGL COF MPGP
BACSU - NTDB YCSE YHAX YITU YWPJ YXEH YWTE YKRA
HALSA - PGP
SULSO - PGP1 PGP2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
265_D	274_N	4.346	1.00
38_Q	268_Y	3.213	1.00
229_A	243_V	3.069	1.00
20_Y	226_R	3.033	1.00
266_S	269_S	2.866	1.00
217_L	227_A	2.644	1.00
240_L	246_G	2.620	1.00
32_P	39_K	2.586	1.00
24_C	61_I	2.511	1.00
43_I	270_K	2.489	1.00
45_E	270_K	2.463	1.00
254_Q	258_N	2.421	1.00
214_T	242_T	2.388	1.00
241_Q	259_L	2.372	1.00
32_P	41_Q	2.354	1.00
65_T	72_I	2.348	1.00
45_E	277_K	2.214	1.00
224_T	242_T	2.130	1.00
208_G	238_R	2.031	1.00
234_G	255_E	1.992	1.00
237_V	256_A	1.932	1.00
234_G	253_T	1.866	1.00
237_V	259_L	1.802	1.00
19_Q	228_I	1.800	1.00
223_N	226_R	1.779	1.00
44_Y	48_D	1.775	1.00
21_I	62_G	1.757	1.00
106_Q	111_W	1.756	1.00
52_Q	56_D	1.748	1.00
23_F	213_V	1.740	1.00
52_Q	277_K	1.740	1.00
50_L	61_I	1.738	1.00
246_G	261_N	1.737	1.00
53_K	59_L	1.726	1.00
247_Y	275_T	1.709	1.00
98_Y	101_E	1.703	1.00
248_L	260_H	1.702	1.00
111_W	114_R	1.701	1.00
214_T	218_E	1.653	1.00
215_F	219_K	1.649	1.00
47_E	78_R	1.641	1.00
245_N	261_N	1.631	1.00
265_D	269_S	1.618	1.00
215_F	218_E	1.618	1.00
52_Q	57_G	1.614	1.00
229_A	239_M	1.603	1.00
210_N	242_T	1.598	1.00
245_N	262_L	1.554	1.00
172_E	176_E	1.544	1.00
211_E	214_T	1.542	1.00
213_V	239_M	1.522	1.00
23_F	64_V	1.515	1.00
48_D	52_Q	1.514	1.00
26_F	31_F	1.497	1.00
60_I	220_Y	1.494	1.00
254_Q	257_K	1.493	1.00
19_Q	59_L	1.492	1.00
256_A	259_L	1.455	1.00
43_I	46_L	1.437	1.00
24_C	230_F	1.424	1.00
104_F	111_W	1.411	1.00
262_L	279_L	1.399	1.00
262_L	275_T	1.393	1.00
230_F	272_I	1.381	1.00
46_L	270_K	1.371	1.00
45_E	274_N	1.368	1.00
248_L	252_A	1.357	1.00
230_F	275_T	1.346	1.00
19_Q	226_R	1.331	1.00
19_Q	245_N	1.324	1.00
217_L	224_T	1.305	1.00
225_E	244_G	1.286	1.00
47_E	51_E	1.282	1.00
237_V	241_Q	1.279	1.00
183_N	238_R	1.263	1.00
62_G	87_F	1.263	1.00
247_Y	264_T	1.260	1.00
49_Y	273_T	1.244	1.00
224_T	227_A	1.233	1.00
49_Y	277_K	1.226	1.00
272_I	276_L	1.219	1.00
257_K	263_I	1.217	1.00
240_L	256_A	1.192	1.00
185_N	203_I	1.188	1.00
118_G	121_K	1.183	1.00
51_E	56_D	1.181	1.00
32_P	268_Y	1.176	1.00
250_K	266_S	1.176	1.00
255_E	258_N	1.153	1.00
45_E	49_Y	1.150	1.00
62_G	216_M	1.149	1.00
114_R	181_S	1.140	1.00
89_A	212_I	1.139	1.00
264_T	271_G	1.136	1.00
229_A	240_L	1.124	1.00
208_G	211_E	1.118	1.00
264_T	275_T	1.103	1.00
87_F	220_Y	1.099	1.00
94_T	207_T	1.098	1.00
112_N	116_N	1.097	1.00
227_A	243_V	1.095	1.00
22_V	276_L	1.093	1.00
32_P	38_Q	1.090	1.00
262_L	278_K	1.090	1.00
217_L	242_T	1.081	1.00
228_I	279_L	1.080	1.00
275_T	279_L	1.069	1.00
21_I	222_L	1.065	1.00
233_S	253_T	1.056	1.00
111_W	118_G	1.056	1.00
23_F	227_A	1.044	1.00
275_T	278_K	1.037	1.00
22_V	59_L	1.034	1.00
21_I	217_L	1.032	1.00
96_I	215_F	1.024	1.00
216_M	220_Y	1.020	1.00
69_I	90_S	1.017	1.00
111_W	116_N	1.011	1.00
23_F	62_G	1.009	1.00
169_L	172_E	1.008	1.00
22_V	53_K	1.007	1.00
104_F	107_Q	1.006	1.00
251_N	267_E	1.005	1.00
114_R	117_E	1.005	1.00
273_T	277_K	0.999	1.00
224_T	244_G	0.995	1.00
274_N	278_K	0.992	1.00
210_N	238_R	0.992	1.00
183_N	206_G	0.985	1.00
26_F	75_K	0.983	1.00
169_L	173_K	0.979	1.00
181_S	205_I	0.971	1.00
214_T	224_T	0.970	1.00
228_I	275_T	0.966	1.00
252_A	257_K	0.965	1.00
137_I	140_N	0.963	1.00
173_K	176_E	0.949	1.00
204_P	207_T	0.946	1.00
65_T	90_S	0.946	1.00
44_Y	47_E	0.946	1.00
82_R	86_H	0.945	1.00
249_L	271_G	0.941	1.00
116_N	120_S	0.939	1.00
170_A	173_K	0.939	1.00
21_I	227_A	0.915	1.00
253_T	256_A	0.915	1.00
248_L	256_A	0.913	1.00
265_D	271_G	0.911	1.00
117_E	121_K	0.908	1.00
228_I	247_Y	0.901	1.00
243_V	246_G	0.897	1.00
250_K	257_K	0.893	1.00
87_F	216_M	0.885	1.00
228_I	245_N	0.883	1.00
96_I	212_I	0.879	1.00
51_E	80_K	0.879	1.00
64_V	89_A	0.874	1.00
24_C	272_I	0.873	1.00
68_S	91_D	0.872	1.00
30_Y	46_L	0.871	1.00
30_Y	50_L	0.866	1.00
46_L	273_T	0.865	1.00
247_Y	262_L	0.864	1.00
234_G	237_V	0.853	1.00
250_K	265_D	0.852	1.00
213_V	243_V	0.851	1.00
183_N	208_G	0.845	1.00
118_G	122_E	0.844	1.00
274_N	277_K	0.836	1.00
217_L	222_L	0.832	1.00
22_V	228_I	0.828	1.00
249_L	264_T	0.819	1.00
46_L	49_Y	0.818	1.00
89_A	216_M	0.817	1.00
60_I	87_F	0.816	1.00
217_L	244_G	0.816	1.00
87_F	98_Y	0.814	1.00
108_D	215_F	0.812	1.00
38_Q	267_E	0.812	1.00
90_S	95_E	0.809	1.00
53_K	61_I	0.802	1.00
138_L	141_P	0.797	1.00
170_A	174_I	0.795	1.00
106_Q	215_F	0.791	1.00
203_I	208_G	0.791	1.00
53_K	276_L	0.782	1.00
45_E	273_T	0.775	1.00
227_A	244_G	0.774	1.00
69_I	97_T	0.770	1.00
66_G	235_N	0.769	1.00
90_S	97_T	0.766	1.00
59_L	228_I	0.761	1.00
106_Q	110_K	0.756	1.00
48_D	51_E	0.755	1.00
244_G	261_N	0.754	1.00
30_Y	42_D	0.754	1.00
255_E	259_L	0.754	1.00
49_Y	52_Q	0.753	1.00
213_V	229_A	0.750	1.00
24_C	30_Y	0.750	1.00
26_F	63_W	0.746	1.00
73_L	77_G	0.738	1.00
117_E	181_S	0.738	1.00
250_K	269_S	0.738	1.00
111_W	120_S	0.728	1.00
87_F	99_F	0.728	1.00
184_I	200_V	0.728	1.00
240_L	259_L	0.727	1.00
184_I	202_F	0.721	1.00
128_V	131_L	0.720	1.00
265_D	278_K	0.720	1.00
129_K	132_H	0.720	1.00
19_Q	60_I	0.719	1.00
91_D	201_D	0.718	1.00
92_L	201_D	0.717	1.00
169_L	186_R	0.717	1.00
227_A	242_T	0.715	1.00
104_F	110_K	0.712	1.00
46_L	50_L	0.711	1.00
210_N	214_T	0.701	1.00
60_I	86_H	0.700	1.00
32_P	43_I	0.700	1.00
126_K	129_K	0.699	1.00
63_W	72_I	0.698	1.00
249_L	252_A	0.697	1.00
113_S	117_E	0.697	1.00
153_N	156_Y	0.697	1.00
211_E	215_F	0.697	1.00
264_T	274_N	0.691	1.00
136_N	139_L	0.683	1.00
168_L	172_E	0.682	1.00
127_L	131_L	0.680	1.00
135_H	138_L	0.680	1.00
111_W	115_I	0.676	1.00
252_A	256_A	0.674	1.00
45_E	48_D	0.673	1.00
188_N	198_Y	0.673	1.00
151_K	201_D	0.671	1.00
118_G	181_S	0.670	1.00
127_L	130_Q	0.667	1.00
64_V	239_M	0.661	1.00
172_E	186_R	0.660	1.00
207_T	211_E	0.659	1.00
145_L	148_S	0.658	1.00
21_I	216_M	0.654	1.00
183_N	205_I	0.654	1.00
180_V	205_I	0.653	1.00
88_I	99_F	0.644	1.00
214_T	217_L	0.643	1.00
128_V	132_H	0.641	1.00
28_E	249_L	0.639	1.00
117_E	120_S	0.637	1.00
154_F	157_Q	0.633	1.00
26_F	30_Y	0.633	1.00
20_Y	59_L	0.632	1.00
265_D	275_T	0.631	1.00
151_K	156_Y	0.629	1.00
232_D	252_A	0.623	1.00
32_P	267_E	0.623	1.00
72_I	88_I	0.622	1.00
251_N	266_S	0.618	1.00
94_T	204_P	0.614	1.00
112_N	118_G	0.612	1.00
69_I	73_L	0.609	1.00
72_I	90_S	0.607	1.00
127_L	132_H	0.605	1.00
151_K	154_F	0.605	1.00
149_R	154_F	0.604	1.00
30_Y	267_E	0.604	1.00
226_R	244_G	0.603	1.00
108_D	204_P	0.602	1.00
232_D	249_L	0.600	1.00
95_E	104_F	0.599	1.00
115_I	122_E	0.596	1.00
245_N	275_T	0.594	1.00
262_L	265_D	0.593	1.00
152_H	156_Y	0.590	1.00
39_K	268_Y	0.589	1.00
234_G	256_A	0.587	1.00
246_G	256_A	0.586	1.00
173_K	177_E	0.585	1.00
183_N	203_I	0.585	1.00
125_E	128_V	0.584	1.00
256_A	260_H	0.581	1.00
123_K	129_K	0.580	1.00
91_D	199_D	0.580	1.00
238_R	241_Q	0.580	1.00
42_D	47_E	0.580	1.00
186_R	189_P	0.580	1.00
230_F	247_Y	0.579	1.00
246_G	260_H	0.578	1.00
167_N	170_A	0.578	1.00
126_K	130_Q	0.576	1.00
171_I	175_C	0.575	1.00
22_V	230_F	0.574	1.00
145_L	149_R	0.573	1.00
95_E	150_Y	0.573	1.00
137_I	141_P	0.571	1.00
111_W	121_K	0.567	1.00
174_I	177_E	0.565	1.00
125_E	132_H	0.563	1.00
30_Y	63_W	0.563	1.00
237_V	240_L	0.562	1.00
76_M	88_I	0.558	1.00
188_N	233_S	0.558	1.00
26_F	72_I	0.557	1.00
240_L	260_H	0.557	1.00
110_K	113_S	0.554	1.00
124_V	128_V	0.548	1.00
249_L	267_E	0.547	1.00
98_Y	104_F	0.546	1.00
91_D	94_T	0.546	1.00
121_K	125_E	0.545	0.99
222_L	227_A	0.544	0.99
92_L	187_C	0.544	0.99
96_I	216_M	0.543	0.99
30_Y	272_I	0.541	0.99
262_L	274_N	0.540	0.99
42_D	46_L	0.538	0.99
59_L	226_R	0.538	0.99
251_N	257_K	0.536	0.99
150_Y	153_N	0.535	0.99
68_S	71_S	0.534	0.99
270_K	273_T	0.534	0.99
63_W	76_M	0.532	0.99
124_V	132_H	0.531	0.99
156_Y	159_Q	0.530	0.99
248_L	259_L	0.527	0.99
229_A	246_G	0.526	0.99
107_Q	215_F	0.525	0.99
73_L	76_M	0.525	0.99
81_F	86_H	0.524	0.99
230_F	264_T	0.521	0.99
69_I	91_D	0.521	0.99
156_Y	160_D	0.520	0.99
19_Q	22_V	0.518	0.99
206_G	211_E	0.517	0.99
115_I	119_F	0.512	0.99
91_D	95_E	0.508	0.99
31_F	267_E	0.507	0.99
32_P	270_K	0.506	0.99
115_I	118_G	0.505	0.99
132_H	138_L	0.504	0.99
24_C	53_K	0.503	0.99
96_I	219_K	0.502	0.99
113_S	120_S	0.501	0.99
114_R	182_V	0.501	0.99
153_N	201_D	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
1nrwA	1	0.8404	100	0.266	Contact Map
2b30A	2	0.9007	100	0.289	Contact Map
3l7yA	1	0.844	100	0.295	Contact Map
3pgvA	3	0.8546	100	0.296	Contact Map
4qjbA	1	0.9149	100	0.301	Contact Map
3dnpA	2	0.8475	100	0.304	Contact Map
1rkqA	1	0.8723	100	0.305	Contact Map
1nf2A	4	0.8475	100	0.312	Contact Map
1rlmA	1	0.8475	100	0.313	Contact Map
3daoA	1	0.8723	100	0.316	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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