PDXK - BACSU - GREMLIN Contacts

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PDXK - Pyridoxine kinase

UniProt:	P39610	Sequences: MSMHKALTIAGSDSSGGAGIQADLKTFQEKNVYGMTALTVIVAMDPNNSWNHQVFPIDTDTIRAQLATITDGIGVDAMKTGMLPTVDIIELAAKTIKEKQLKNVVIDPVMVCKGANEVLYPEHAQALREQLAPLATVITPNLFEASQLSGMDELKTVDDMIEAAKKIHALGAQYVVITGGGKLKHEKAVDVLYDGETAEVLESEMIDTPYTHGAGCTFSAAVTAELAKGAEVKEAIYAAKEFITAAIKESFPLNQYVGPTKHSALRLNQQS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	271 (251)
Sequences:	6245 (4413)
Seq/√Len:	278.5

ECOLI - THID PDXK PDXY
BACSU - PDXK THID
HALSA - Q9HMC6
SULSO - Q97W49 Q981E3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
97_K	134_L	3.298	1.00
24_L	34_G	2.893	1.00
90_E	130_Q	2.776	1.00
151_M	166_K	2.755	1.00
156_T	159_D	2.743	1.00
55_F	58_D	2.694	1.00
52_H	68_T	2.631	1.00
30_K	225_E	2.621	1.00
176_V	218_F	2.568	1.00
231_E	234_E	2.563	1.00
225_E	230_A	2.500	1.00
67_A	95_T	2.392	1.00
83_L	92_A	2.242	1.00
145_A	177_I	2.240	1.00
80_T	106_I	2.127	1.00
41_I	61_T	2.094	1.00
117_E	121_P	2.091	1.00
199_E	233_K	2.076	1.00
32_V	224_A	2.065	1.00
63_R	94_K	2.051	1.00
125_Q	129_E	2.009	1.00
161_I	198_A	2.000	1.00
154_L	163_A	1.986	1.00
27_F	224_A	1.964	1.00
41_I	57_I	1.963	1.00
225_E	228_K	1.959	1.00
6_A	32_V	1.957	1.00
187_K	202_E	1.908	1.00
27_F	34_G	1.907	1.00
53_Q	64_A	1.901	1.00
8_T	36_T	1.891	1.00
62_I	88_I	1.873	1.00
12_S	21_Q	1.852	1.00
112_C	116_N	1.813	1.00
27_F	32_V	1.811	1.00
97_K	130_Q	1.773	1.00
56_P	84_P	1.768	1.00
157_V	200_V	1.720	1.00
222_V	236_I	1.709	1.00
174_Y	232_V	1.698	1.00
63_R	91_L	1.696	1.00
146_S	153_E	1.691	1.00
230_A	238_A	1.688	1.00
95_T	98_E	1.633	1.00
240_K	244_T	1.607	1.00
67_A	71_D	1.604	1.00
66_L	95_T	1.582	1.00
225_E	238_A	1.561	1.00
188_A	240_K	1.549	1.00
6_A	27_F	1.543	1.00
96_I	104_V	1.523	1.00
8_T	27_F	1.516	1.00
59_T	91_L	1.508	1.00
63_R	95_T	1.508	1.00
21_Q	36_T	1.502	1.00
244_T	248_K	1.499	1.00
189_V	200_V	1.486	1.00
155_K	159_D	1.478	1.00
5_K	76_D	1.466	1.00
106_I	135_A	1.464	1.00
164_A	177_I	1.452	1.00
37_A	66_L	1.447	1.00
245_A	248_K	1.436	1.00
89_I	127_L	1.432	1.00
80_T	104_V	1.428	1.00
204_E	248_K	1.417	1.00
138_I	167_I	1.404	1.00
86_V	122_E	1.398	1.00
56_P	85_T	1.390	1.00
168_H	193_Y	1.370	1.00
119_L	123_H	1.368	1.00
20_I	38_L	1.365	1.00
103_N	136_T	1.363	1.00
161_I	200_V	1.353	1.00
149_S	167_I	1.345	1.00
5_K	35_M	1.334	1.00
55_F	61_T	1.317	1.00
201_L	237_Y	1.313	1.00
164_A	193_Y	1.311	1.00
146_S	154_L	1.252	1.00
136_T	173_Q	1.249	1.00
193_Y	198_A	1.246	1.00
12_S	42_V	1.245	1.00
174_Y	194_D	1.245	1.00
199_E	237_Y	1.243	1.00
57_I	61_T	1.227	1.00
203_S	240_K	1.220	1.00
151_M	162_E	1.216	1.00
191_V	200_V	1.200	1.00
117_E	124_A	1.188	1.00
5_K	73_I	1.186	1.00
126_A	130_Q	1.180	1.00
60_D	64_A	1.177	1.00
105_V	223_T	1.167	1.00
230_A	234_E	1.162	1.00
5_K	74_G	1.161	1.00
70_T	75_V	1.157	1.00
52_H	71_D	1.157	1.00
59_T	87_D	1.156	1.00
203_S	244_T	1.152	1.00
166_K	169_A	1.130	1.00
70_T	98_E	1.125	1.00
26_T	217_T	1.121	1.00
85_T	88_I	1.118	1.00
89_I	126_A	1.113	1.00
93_A	130_Q	1.104	1.00
6_A	227_A	1.096	1.00
83_L	89_I	1.092	1.00
37_A	62_I	1.092	1.00
137_V	232_V	1.086	1.00
226_L	232_V	1.085	1.00
67_A	98_E	1.079	1.00
128_R	148_L	1.076	1.00
165_K	169_A	1.074	1.00
94_K	130_Q	1.071	1.00
132_A	138_I	1.064	1.00
30_K	221_A	1.062	1.00
146_S	163_A	1.060	1.00
160_M	191_V	1.058	1.00
189_V	202_E	1.055	1.00
233_K	237_Y	1.053	1.00
91_L	94_K	1.050	1.00
128_R	170_L	1.047	1.00
12_S	38_L	1.037	1.00
26_T	221_A	1.030	1.00
61_T	64_A	1.028	1.00
43_A	64_A	1.024	1.00
237_Y	241_E	1.021	1.00
161_I	165_K	1.021	1.00
162_E	166_K	1.020	1.00
30_K	224_A	1.017	1.00
234_E	237_Y	1.015	1.00
78_M	101_L	1.015	1.00
43_A	61_T	1.009	1.00
149_S	166_K	1.008	1.00
53_Q	61_T	1.005	1.00
93_A	134_L	1.004	1.00
26_T	30_K	0.995	1.00
32_V	228_K	0.991	1.00
105_V	226_L	0.986	1.00
48_N	72_G	0.983	1.00
64_A	68_T	0.983	1.00
90_E	126_A	0.973	1.00
9_I	92_A	0.968	1.00
35_M	75_V	0.966	1.00
86_V	90_E	0.961	1.00
168_H	175_V	0.957	1.00
168_H	195_G	0.956	1.00
111_V	147_Q	0.956	1.00
137_V	222_V	0.955	1.00
77_A	223_T	0.954	1.00
86_V	126_A	0.952	1.00
70_T	101_L	0.949	1.00
137_V	176_V	0.946	1.00
201_L	236_I	0.946	1.00
117_E	147_Q	0.946	1.00
4_H	76_D	0.945	1.00
45_D	48_N	0.944	1.00
157_V	161_I	0.939	1.00
162_E	165_K	0.937	1.00
222_V	239_A	0.932	1.00
192_L	201_L	0.927	1.00
40_V	82_M	0.927	1.00
187_K	204_E	0.919	1.00
35_M	73_I	0.915	1.00
197_T	233_K	0.913	1.00
168_H	172_A	0.912	1.00
157_V	191_V	0.908	1.00
128_R	150_G	0.903	1.00
87_D	90_E	0.903	1.00
84_P	88_I	0.902	1.00
174_Y	192_L	0.901	1.00
210_Y	252_P	0.899	1.00
159_D	162_E	0.899	1.00
211_T	247_I	0.899	1.00
89_I	119_L	0.891	1.00
5_K	75_V	0.890	1.00
70_T	95_T	0.886	1.00
245_A	249_E	0.885	1.00
192_L	236_I	0.882	1.00
201_L	240_K	0.880	1.00
165_K	198_A	0.880	1.00
12_S	36_T	0.878	1.00
136_T	174_Y	0.876	1.00
191_V	198_A	0.874	1.00
124_A	128_R	0.872	1.00
217_T	242_F	0.871	1.00
138_I	175_V	0.871	1.00
206_I	244_T	0.871	1.00
190_D	240_K	0.870	1.00
176_V	192_L	0.869	1.00
15_S	42_V	0.861	1.00
49_S	255_Q	0.856	1.00
206_I	247_I	0.854	1.00
124_A	147_Q	0.853	1.00
157_V	189_V	0.848	1.00
96_I	101_L	0.843	1.00
136_T	232_V	0.837	1.00
188_A	205_M	0.836	1.00
30_K	228_K	0.836	1.00
94_K	98_E	0.833	1.00
64_A	67_A	0.832	1.00
68_T	71_D	0.832	1.00
221_A	242_F	0.830	1.00
48_N	254_N	0.817	0.99
137_V	174_Y	0.816	0.99
14_S	42_V	0.805	0.99
80_T	83_L	0.795	0.99
208_T	258_G	0.792	0.99
52_H	64_A	0.790	0.99
14_S	36_T	0.785	0.99
166_K	170_L	0.785	0.99
226_L	229_G	0.782	0.99
32_V	227_A	0.781	0.99
59_T	63_R	0.780	0.99
63_R	67_A	0.779	0.99
113_K	257_V	0.778	0.99
17_G	212_H	0.758	0.99
125_Q	128_R	0.757	0.99
11_G	39_T	0.755	0.99
14_S	43_A	0.750	0.99
241_E	245_A	0.745	0.99
226_L	235_A	0.742	0.99
177_I	191_V	0.740	0.99
210_Y	258_G	0.738	0.99
27_F	223_T	0.733	0.99
142_L	146_S	0.731	0.99
151_M	159_D	0.724	0.99
158_D	161_I	0.722	0.99
100_Q	103_N	0.721	0.99
6_A	224_A	0.720	0.99
15_S	73_I	0.717	0.99
27_F	220_A	0.717	0.99
79_K	220_A	0.715	0.99
93_A	131_L	0.711	0.99
7_L	35_M	0.703	0.98
234_E	238_A	0.700	0.98
168_H	174_Y	0.700	0.98
154_L	160_M	0.698	0.98
192_L	232_V	0.695	0.98
143_F	181_G	0.695	0.98
70_T	99_K	0.695	0.98
22_A	217_T	0.690	0.98
141_N	144_E	0.687	0.98
21_Q	24_L	0.683	0.98
35_M	69_I	0.683	0.98
137_V	236_I	0.682	0.98
10_A	23_D	0.681	0.98
90_E	129_E	0.680	0.98
93_A	97_K	0.674	0.98
8_T	219_S	0.671	0.98
230_A	235_A	0.666	0.98
194_D	197_T	0.665	0.98
135_A	138_I	0.662	0.98
40_V	56_P	0.660	0.98
243_I	247_I	0.659	0.98
228_K	238_A	0.658	0.98
78_M	96_I	0.657	0.98
170_L	173_Q	0.656	0.98
12_S	41_I	0.655	0.98
168_H	173_Q	0.653	0.97
6_A	223_T	0.653	0.97
208_T	211_T	0.653	0.97
12_S	20_I	0.651	0.97
79_K	219_S	0.650	0.97
165_K	193_Y	0.650	0.97
78_M	104_V	0.650	0.97
80_T	96_I	0.650	0.97
132_A	172_A	0.646	0.97
145_A	167_I	0.646	0.97
95_T	99_K	0.645	0.97
112_C	118_V	0.641	0.97
39_T	88_I	0.638	0.97
168_H	171_G	0.638	0.97
29_E	242_F	0.635	0.97
80_T	219_S	0.634	0.97
73_I	76_D	0.633	0.97
13_D	19_G	0.632	0.97
168_H	194_D	0.631	0.97
26_T	242_F	0.628	0.97
82_M	118_V	0.627	0.97
91_L	95_T	0.626	0.97
145_A	163_A	0.624	0.97
194_D	199_E	0.622	0.97
84_P	120_Y	0.621	0.97
94_K	97_K	0.620	0.97
85_T	120_Y	0.620	0.97
231_E	235_A	0.617	0.96
127_L	132_A	0.616	0.96
25_K	33_Y	0.616	0.96
240_K	243_I	0.609	0.96
5_K	253_L	0.607	0.96
58_D	61_T	0.606	0.96
110_M	119_L	0.603	0.96
93_A	106_I	0.601	0.96
173_Q	195_G	0.600	0.96
59_T	62_I	0.598	0.96
217_T	246_A	0.595	0.96
148_L	167_I	0.595	0.96
154_L	159_D	0.592	0.96
89_I	123_H	0.591	0.95
62_I	91_L	0.589	0.95
176_V	236_I	0.585	0.95
106_I	131_L	0.583	0.95
23_D	79_K	0.582	0.95
74_G	102_K	0.581	0.95
115_A	118_V	0.580	0.95
30_K	238_A	0.578	0.95
45_D	52_H	0.577	0.95
238_A	241_E	0.577	0.95
143_F	146_S	0.575	0.95
44_M	212_H	0.571	0.95
157_V	202_E	0.569	0.94
71_D	99_K	0.569	0.94
158_D	162_E	0.568	0.94
107_D	140_P	0.567	0.94
168_H	196_E	0.567	0.94
15_S	33_Y	0.566	0.94
242_F	246_A	0.565	0.94
229_G	235_A	0.565	0.94
20_I	36_T	0.564	0.94
49_S	52_H	0.563	0.94
9_I	66_L	0.560	0.94
90_E	94_K	0.559	0.94
8_T	34_G	0.557	0.94
104_V	134_L	0.557	0.94
67_A	99_K	0.555	0.94
164_A	175_V	0.554	0.94
18_A	212_H	0.553	0.94
7_L	37_A	0.552	0.94
151_M	163_A	0.551	0.93
77_A	227_A	0.548	0.93
137_V	239_A	0.546	0.93
189_V	193_Y	0.544	0.93
160_M	183_L	0.543	0.93
62_I	66_L	0.543	0.93
142_L	154_L	0.542	0.93
165_K	168_H	0.541	0.93
48_N	256_Y	0.539	0.93
89_I	131_L	0.539	0.93
70_T	78_M	0.539	0.93
67_A	70_T	0.538	0.93
130_Q	134_L	0.537	0.93
155_K	184_K	0.536	0.93
107_D	141_N	0.535	0.92
77_A	219_S	0.533	0.92
161_I	193_Y	0.532	0.92
105_V	137_V	0.529	0.92
201_L	233_K	0.528	0.92
45_D	49_S	0.527	0.92
111_V	116_N	0.526	0.92
140_P	144_E	0.522	0.92
111_V	117_E	0.522	0.92
5_K	33_Y	0.522	0.92
193_Y	196_E	0.518	0.91
106_I	127_L	0.517	0.91
204_E	244_T	0.517	0.91
53_Q	60_D	0.517	0.91
25_K	28_Q	0.517	0.91
65_Q	69_I	0.515	0.91
13_D	23_D	0.515	0.91
45_D	68_T	0.514	0.91
194_D	198_A	0.513	0.91
236_I	239_A	0.512	0.91
142_L	160_M	0.511	0.91
37_A	69_I	0.511	0.91
113_K	214_A	0.509	0.90
66_L	69_I	0.509	0.90
239_A	243_I	0.509	0.90
40_V	84_P	0.506	0.90
130_Q	133_P	0.506	0.90
38_L	41_I	0.504	0.90
78_M	102_K	0.501	0.90
181_G	205_M	0.501	0.90
146_S	151_M	0.500	0.90
11_G	18_A	0.500	0.90

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
2i5bA	2	1	100	0.313	Contact Map
3rm5A	2	0.9557	100	0.333	Contact Map
1ub0A	2	0.9077	100	0.388	Contact Map
3h74A	2	0.9705	100	0.389	Contact Map
4yl5A	2	0.8339	100	0.393	Contact Map
2yxtA	3	0.9815	100	0.398	Contact Map
1jxhA	2	0.9041	100	0.399	Contact Map
3pzsA	2	0.9852	100	0.399	Contact Map
2ddmA	2	0.9557	100	0.4	Contact Map
3mbhA	5	0.9779	100	0.411	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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