AROK - HALSA - GREMLIN Contacts

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AROK - Shikimate kinase

UniProt:	Q9HQB0	Sequences: MDGRAVAPAAGTVLNALATGVGAAFALDIDTEASVSVTPSESGVSGEIAGHPEADTALVERCVSRVIDRYGDGQGGHVRTESEVPLAAGLKSSSAAANATVLATLDALGVADEVDRVDAARLGVQAARDAGVTVTGAFDDAAASMLGGVAMTDNREDDLLFRDAVEWHAAVWTPPERAYSADADVARCERVSGLAEHVAALAAAGDYGTAMTVNGLAFCAALDFPTAPAVTALPHAAGVSLSGTGPSYVAVGDEDGIEEVSTRWHENPGTVRETTTQLAGARTT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	284 (271)
Sequences:	176 (131)
Seq/√Len:	7.9

HALSA - AROK

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
206_D	209_T	5.867	1.00
13_V	149_V	3.642	0.95
97_A	127_A	3.420	0.93
219_C	248_Y	3.339	0.92
14_L	195_A	3.121	0.89
34_S	79_R	2.950	0.86
124_V	133_T	2.747	0.82
225_P	258_E	2.638	0.79
14_L	198_V	2.604	0.78
17_L	244_T	2.537	0.76
138_F	146_L	2.446	0.74
12_T	144_S	2.384	0.72
23_A	225_P	2.239	0.66
29_I	272_R	2.147	0.63
124_V	132_V	2.136	0.63
13_V	275_T	2.129	0.62
58_L	132_V	2.117	0.62
13_V	130_A	2.107	0.62
71_G	274_T	2.087	0.61
9_A	278_L	1.997	0.57
27_L	169_A	1.979	0.56
13_V	118_D	1.924	0.54
73_G	151_M	1.919	0.54
261_S	273_E	1.893	0.53
100_T	134_V	1.826	0.50
122_L	125_Q	1.821	0.50
30_D	277_Q	1.798	0.49
216_L	229_A	1.767	0.48
9_A	248_Y	1.757	0.47
201_L	206_D	1.750	0.47
10_A	91_K	1.740	0.47
11_G	25_F	1.722	0.46
128_R	157_D	1.722	0.46
169_A	175_P	1.691	0.45
142_A	150_A	1.686	0.45
70_Y	105_L	1.674	0.44
250_A	264_W	1.642	0.43
21_V	171_V	1.622	0.42
123_G	132_V	1.619	0.42
15_N	141_A	1.605	0.41
12_T	24_A	1.601	0.41
83_E	262_T	1.594	0.41
5_A	102_L	1.591	0.41
20_G	219_C	1.583	0.40
137_A	246_P	1.553	0.39
62_C	133_T	1.551	0.39
9_A	48_I	1.539	0.39
98_N	141_A	1.535	0.39
9_A	196_E	1.491	0.37
166_E	170_A	1.487	0.37
23_A	151_M	1.483	0.37
121_R	138_F	1.479	0.36
102_L	119_A	1.473	0.36
171_V	270_T	1.472	0.36
66_V	118_D	1.463	0.36
91_K	215_G	1.461	0.36
125_Q	129_D	1.453	0.35
160_L	199_A	1.453	0.35
131_G	149_V	1.444	0.35
50_G	227_A	1.444	0.35
241_L	264_W	1.441	0.35
222_L	250_A	1.434	0.35
125_Q	253_D	1.400	0.33
9_A	134_V	1.396	0.33
142_A	247_S	1.389	0.33
21_V	251_V	1.388	0.33
9_A	219_C	1.383	0.33
128_R	133_T	1.373	0.32
168_H	275_T	1.367	0.32
180_S	240_S	1.361	0.32
98_N	144_S	1.361	0.32
7_A	144_S	1.360	0.32
68_D	87_A	1.352	0.32
31_T	97_A	1.347	0.32
62_C	244_T	1.337	0.31
94_S	147_G	1.334	0.31
35_V	159_L	1.333	0.31
28_D	34_S	1.331	0.31
20_G	155_R	1.324	0.31
36_S	44_V	1.322	0.31
27_L	273_E	1.322	0.31
105_L	118_D	1.312	0.30
31_T	96_A	1.309	0.30
31_T	127_A	1.307	0.30
23_A	88_A	1.305	0.30
159_L	231_T	1.295	0.30
65_R	125_Q	1.295	0.30
87_A	180_S	1.294	0.30
12_T	249_V	1.279	0.29
134_V	272_R	1.279	0.29
11_G	249_V	1.278	0.29
31_T	138_F	1.277	0.29
80_T	104_T	1.276	0.29
119_A	254_E	1.275	0.29
30_D	181_A	1.258	0.29
42_S	45_S	1.254	0.28
64_S	271_V	1.254	0.28
71_G	209_T	1.252	0.28
25_F	249_V	1.250	0.28
265_H	271_V	1.239	0.28
132_V	238_G	1.231	0.28
199_A	276_T	1.224	0.27
255_D	258_E	1.223	0.27
33_A	96_A	1.222	0.27
216_L	240_S	1.217	0.27
169_A	274_T	1.212	0.27
126_A	132_V	1.209	0.27
222_L	247_S	1.207	0.27
65_R	129_D	1.196	0.26
7_A	11_G	1.186	0.26
116_R	251_V	1.180	0.26
123_G	142_A	1.177	0.26
10_A	124_V	1.165	0.26
78_V	176_E	1.163	0.25
15_N	244_T	1.163	0.25
25_F	188_C	1.155	0.25
228_P	247_S	1.132	0.25
70_Y	118_D	1.130	0.24
91_K	211_M	1.129	0.24
98_N	103_A	1.128	0.24
48_I	239_V	1.128	0.24
124_V	246_P	1.127	0.24
195_A	244_T	1.121	0.24
222_L	269_G	1.114	0.24
123_G	215_G	1.113	0.24
67_I	217_A	1.110	0.24
114_V	177_R	1.108	0.24
197_H	209_T	1.106	0.24
128_R	142_A	1.100	0.24
231_T	234_P	1.092	0.23
143_A	241_L	1.077	0.23
131_G	171_V	1.070	0.23
198_V	236_A	1.067	0.23
189_E	235_H	1.066	0.23
47_E	79_R	1.063	0.22
173_T	267_N	1.056	0.22
270_T	275_T	1.052	0.22
123_G	191_V	1.049	0.22
43_G	156_E	1.046	0.22
97_A	145_M	1.037	0.22
116_R	146_L	1.037	0.22
46_G	100_T	1.037	0.22
23_A	150_A	1.036	0.22
14_L	199_A	1.035	0.22
258_E	274_T	1.033	0.22
160_L	253_D	1.033	0.22
34_S	83_E	1.027	0.21
34_S	171_V	1.019	0.21
25_F	80_T	1.015	0.21
200_A	271_V	1.008	0.21
31_T	146_L	1.005	0.21
71_G	271_V	1.005	0.21
36_S	77_H	0.997	0.21
139_D	246_P	0.994	0.21
140_D	246_P	0.994	0.21
134_V	244_T	0.993	0.21
144_S	218_F	0.989	0.20
55_D	131_G	0.984	0.20
104_T	221_A	0.981	0.20
60_E	87_A	0.972	0.20
7_A	12_T	0.969	0.20
233_L	237_A	0.959	0.20
57_A	130_A	0.958	0.20
35_V	107_A	0.957	0.20
82_S	148_G	0.955	0.20
24_A	150_A	0.937	0.19
92_S	214_N	0.936	0.19
8_P	27_L	0.936	0.19
171_V	219_C	0.933	0.19
47_E	130_A	0.932	0.19
77_H	262_T	0.927	0.19
100_T	249_V	0.921	0.19
170_A	273_E	0.920	0.19
10_A	123_G	0.917	0.19
87_A	223_D	0.916	0.19
51_H	265_H	0.914	0.19
247_S	266_E	0.910	0.18
206_D	249_V	0.906	0.18
21_V	84_V	0.901	0.18
231_T	267_N	0.894	0.18
23_A	213_V	0.892	0.18
184_D	279_A	0.890	0.18
95_A	144_S	0.890	0.18
180_S	219_C	0.886	0.18
61_R	129_D	0.881	0.18
71_G	79_R	0.877	0.18
10_A	211_M	0.873	0.18
237_A	255_D	0.872	0.18
61_R	221_A	0.868	0.17
28_D	168_H	0.867	0.17
26_A	120_A	0.866	0.17
158_D	164_A	0.860	0.17
137_A	140_D	0.855	0.17
114_V	272_R	0.849	0.17
23_A	38_T	0.848	0.17
216_L	219_C	0.847	0.17
130_A	146_L	0.846	0.17
160_L	236_A	0.845	0.17
236_A	278_L	0.844	0.17
10_A	31_T	0.842	0.17
106_D	109_G	0.841	0.17
170_A	229_A	0.839	0.17
123_G	174_P	0.837	0.17
170_A	272_R	0.834	0.17
12_T	25_F	0.834	0.17
54_A	100_T	0.830	0.17
169_A	272_R	0.823	0.16
43_G	279_A	0.820	0.16
18_A	218_F	0.819	0.16
26_A	250_A	0.817	0.16
83_E	242_S	0.813	0.16
164_A	192_S	0.809	0.16
64_S	67_I	0.806	0.16
51_H	262_T	0.804	0.16
170_A	241_L	0.801	0.16
58_L	97_A	0.798	0.16
68_D	193_G	0.792	0.16
213_V	260_V	0.791	0.16
114_V	207_Y	0.789	0.16
10_A	264_W	0.783	0.16
8_P	30_D	0.782	0.15
93_S	99_A	0.780	0.15
43_G	122_L	0.777	0.15
94_S	154_N	0.774	0.15
146_L	189_E	0.773	0.15
79_R	262_T	0.773	0.15
32_E	265_H	0.772	0.15
4_R	270_T	0.770	0.15
26_A	247_S	0.768	0.15
28_D	274_T	0.758	0.15
32_E	81_E	0.751	0.15
100_T	172_W	0.748	0.15
21_V	153_D	0.747	0.15
120_A	171_V	0.747	0.15
187_R	234_P	0.745	0.15
106_D	212_T	0.743	0.15
188_C	244_T	0.741	0.15
71_G	265_H	0.740	0.15
195_A	218_F	0.738	0.15
101_V	223_D	0.733	0.14
24_A	241_L	0.731	0.14
107_A	241_L	0.731	0.14
27_L	122_L	0.727	0.14
231_T	276_T	0.727	0.14
39_P	109_G	0.726	0.14
80_T	207_Y	0.722	0.14
4_R	122_L	0.721	0.14
63_V	239_V	0.715	0.14
224_F	247_S	0.710	0.14
27_L	84_V	0.709	0.14
217_A	251_V	0.708	0.14
159_L	204_A	0.705	0.14
78_V	203_A	0.704	0.14
58_L	215_G	0.704	0.14
159_L	162_R	0.703	0.14
34_S	110_V	0.703	0.14
187_R	212_T	0.703	0.14
170_A	192_S	0.702	0.14
98_N	218_F	0.700	0.14
27_L	255_D	0.699	0.14
171_V	206_D	0.698	0.14
97_A	126_A	0.691	0.14
31_T	48_I	0.689	0.14
17_L	44_V	0.688	0.14
186_A	231_T	0.688	0.14
171_V	272_R	0.686	0.14
58_L	141_A	0.681	0.13
254_E	265_H	0.680	0.13
94_S	214_N	0.680	0.13
48_I	65_R	0.679	0.13
171_V	251_V	0.678	0.13
72_D	78_V	0.678	0.13
195_A	267_N	0.670	0.13
70_Y	263_R	0.669	0.13
20_G	120_A	0.668	0.13
12_T	211_M	0.668	0.13
33_A	134_V	0.667	0.13
28_D	35_V	0.667	0.13
20_G	248_Y	0.667	0.13
223_D	229_A	0.661	0.13
47_E	77_H	0.659	0.13
11_G	247_S	0.659	0.13
141_A	250_A	0.658	0.13
27_L	149_V	0.657	0.13
36_S	79_R	0.657	0.13
8_P	12_T	0.657	0.13
57_A	196_E	0.656	0.13
9_A	84_V	0.655	0.13
62_C	101_V	0.653	0.13
125_Q	159_L	0.649	0.13
37_V	86_L	0.648	0.13
55_D	80_T	0.648	0.13
177_R	194_L	0.647	0.13
228_P	232_A	0.646	0.13
128_R	276_T	0.643	0.13
163_D	187_R	0.642	0.13
242_S	269_G	0.642	0.13
66_V	251_V	0.639	0.13
18_A	196_E	0.637	0.13
43_G	76_G	0.627	0.12
31_T	82_S	0.626	0.12
199_A	240_S	0.626	0.12
38_T	113_E	0.623	0.12
6_V	34_S	0.623	0.12
84_V	173_T	0.619	0.12
46_G	59_V	0.617	0.12
50_G	160_L	0.616	0.12
9_A	79_R	0.616	0.12
14_L	70_Y	0.616	0.12
265_H	279_A	0.615	0.12
233_L	248_Y	0.613	0.12
104_T	151_M	0.613	0.12
4_R	115_D	0.613	0.12
259_E	267_N	0.609	0.12
168_H	186_A	0.609	0.12
91_K	124_V	0.608	0.12
144_S	174_P	0.605	0.12
160_L	176_E	0.604	0.12
160_L	265_H	0.603	0.12
35_V	103_A	0.602	0.12
33_A	99_A	0.599	0.12
132_V	152_T	0.599	0.12
218_F	241_L	0.594	0.12
17_L	198_V	0.593	0.12
138_F	142_A	0.591	0.12
31_T	107_A	0.590	0.12
254_E	273_E	0.590	0.12
58_L	99_A	0.589	0.12
252_G	257_I	0.586	0.12
149_V	171_V	0.582	0.12
180_S	248_Y	0.582	0.12
69_R	109_G	0.581	0.12
105_L	192_S	0.580	0.12
63_V	104_T	0.579	0.12
179_Y	229_A	0.579	0.12
55_D	228_P	0.578	0.12
159_L	213_V	0.577	0.12
34_S	226_T	0.576	0.12
90_L	135_T	0.571	0.11
135_T	245_G	0.571	0.11
89_G	245_G	0.571	0.11
136_G	243_G	0.571	0.11
136_G	245_G	0.571	0.11
89_G	243_G	0.571	0.11
89_G	136_G	0.571	0.11
89_G	135_T	0.571	0.11
90_L	245_G	0.571	0.11
135_T	243_G	0.571	0.11
90_L	243_G	0.571	0.11
90_L	136_G	0.571	0.11
166_E	196_E	0.571	0.11
115_D	125_Q	0.570	0.11
51_H	84_V	0.568	0.11
163_D	207_Y	0.566	0.11
98_N	241_L	0.565	0.11
104_T	224_F	0.561	0.11
74_Q	115_D	0.561	0.11
153_D	197_H	0.561	0.11
148_G	250_A	0.560	0.11
131_G	203_A	0.560	0.11
34_S	43_G	0.554	0.11
13_V	65_R	0.552	0.11
54_A	78_V	0.551	0.11
63_V	81_E	0.549	0.11
34_S	200_A	0.549	0.11
79_R	205_G	0.547	0.11
15_N	31_T	0.544	0.11
29_I	275_T	0.544	0.11
26_A	130_A	0.540	0.11
119_A	192_S	0.539	0.11
77_H	229_A	0.537	0.11
38_T	225_P	0.535	0.11
18_A	169_A	0.534	0.11
29_I	236_A	0.532	0.11
104_T	129_D	0.530	0.11
107_A	143_A	0.530	0.11
76_G	172_W	0.528	0.11
17_L	150_A	0.528	0.11
170_A	252_G	0.526	0.11
20_G	188_C	0.523	0.11
183_A	211_M	0.523	0.11
13_V	271_V	0.523	0.11
44_V	73_G	0.522	0.11
68_D	271_V	0.521	0.11
23_A	128_R	0.521	0.11
99_A	246_P	0.520	0.11
172_W	276_T	0.519	0.11
147_G	214_N	0.519	0.11
34_S	266_E	0.519	0.11
68_D	208_G	0.518	0.11
42_S	74_Q	0.516	0.11
153_D	270_T	0.515	0.11
179_Y	260_V	0.515	0.11
152_T	215_G	0.514	0.11
80_T	244_T	0.514	0.11
84_V	262_T	0.512	0.11
44_V	229_A	0.512	0.11
45_S	72_D	0.511	0.11
26_A	277_Q	0.510	0.11
7_A	46_G	0.510	0.11
106_D	207_Y	0.506	0.10
81_E	266_E	0.504	0.10
47_E	256_G	0.504	0.10
28_D	107_A	0.501	0.10
227_A	256_G	0.501	0.10
7_A	129_D	0.500	0.10

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
4n3oA	2	0.9718	100	0.738	Contact Map
1h72C	2	0.9648	100	0.74	Contact Map
4p52A	2	0.9683	100	0.74	Contact Map
4hacA	2	0.9542	100	0.744	Contact Map
3hulA	4	0.8908	100	0.745	Contact Map
3qt5A	2	0.9542	100	0.746	Contact Map
3k85A	3	0.9085	100	0.747	Contact Map
3pyfA	1	0.9261	99.9	0.75	Contact Map
1kkhA	1	0.9577	99.9	0.753	Contact Map
2hfsA	1	0.9683	99.9	0.755	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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