Q980I6 - SULSO - GREMLIN Contacts

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Q980I6 - Shikimate kinase

UniProt:	Q980I6	Sequences: MGEVCEIMQAYGGVSIVNALPSWYGSSMAINLKVKVEIREGKRVYSQESELIKTILNYFKEKYSIPDIEVDIESELPQKSGLKSSSAVSVALIAEIAKQYDLRNINPPILSAILSLKAGVSYTGALDDAVASYCGGIAFTYNKMFRIVKLENLEDNLSILILAKGGRQKPVNLNELRKYSHVFEEIFKIALKDYLTAMKMNGILIANILGYSLEPIEIALKKGALAAGISGNGPSYFAVSKNGEEGPIYESLKKFGDVIIVRPVSLDCKDLSIKD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	275 (227)
Sequences:	3797 (3078)
Seq/√Len:	204.3

ECOLI - ISPE KHSE
BACSU - ISPE KHSE
HALSA - KHSE AROK
SULSO - Q980I6 KHSE

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
201_N	204_L	5.306	1.00
195_L	198_M	3.599	1.00
105_I	108_P	3.265	1.00
195_L	199_K	3.144	1.00
200_M	204_L	2.936	1.00
200_M	203_I	2.794	1.00
157_L	239_V	2.517	1.00
174_N	177_R	2.330	1.00
109_I	113_I	2.263	1.00
48_E	57_N	2.262	1.00
45_Y	69_E	2.250	1.00
185_E	189_I	2.235	1.00
158_S	240_S	2.189	1.00
240_S	248_I	2.148	1.00
37_E	69_E	2.127	1.00
57_N	61_E	2.105	1.00
206_A	213_L	2.102	1.00
196_T	199_K	2.053	1.00
107_P	111_S	1.961	1.00
107_P	113_I	1.879	1.00
59_F	93_I	1.876	1.00
108_P	111_S	1.866	1.00
194_Y	199_K	1.838	1.00
108_P	113_I	1.838	1.00
194_Y	198_M	1.816	1.00
212_S	229_I	1.788	1.00
47_Q	71_D	1.743	1.00
181_H	184_E	1.733	1.00
187_F	190_A	1.720	1.00
39_R	69_E	1.708	1.00
159_I	237_F	1.691	1.00
31_N	34_V	1.684	1.00
159_I	235_S	1.659	1.00
170_P	173_L	1.657	1.00
185_E	188_K	1.653	1.00
186_I	190_A	1.649	1.00
52_I	72_I	1.610	1.00
150_L	153_L	1.599	1.00
127_D	143_K	1.574	1.00
42_K	46_S	1.572	1.00
176_L	179_Y	1.565	1.00
109_I	112_A	1.562	1.00
37_E	71_D	1.553	1.00
177_R	180_S	1.505	1.00
217_E	221_K	1.505	1.00
186_I	189_I	1.490	1.00
169_K	173_L	1.465	1.00
58_Y	62_K	1.460	1.00
182_V	185_E	1.443	1.00
209_L	212_S	1.436	1.00
205_I	209_L	1.423	1.00
93_I	109_I	1.402	1.00
34_V	38_I	1.395	1.00
56_L	60_K	1.380	1.00
32_L	35_K	1.362	1.00
228_G	237_F	1.356	1.00
96_I	100_Y	1.349	1.00
103_R	107_P	1.345	1.00
80_S	161_I	1.342	1.00
104_N	108_P	1.333	1.00
176_L	180_S	1.326	1.00
35_K	73_E	1.306	1.00
62_K	113_I	1.292	1.00
30_I	34_V	1.283	1.00
31_N	38_I	1.282	1.00
178_K	181_H	1.282	1.00
110_L	134_C	1.281	1.00
47_Q	69_E	1.279	1.00
103_R	111_S	1.271	1.00
109_I	114_L	1.263	1.00
166_G	232_N	1.259	1.00
104_N	109_I	1.235	1.00
105_I	113_I	1.235	1.00
176_L	181_H	1.235	1.00
218_I	222_K	1.224	1.00
227_A	238_A	1.215	1.00
184_E	188_K	1.207	1.00
219_A	238_A	1.205	1.00
177_R	181_H	1.201	1.00
107_P	112_A	1.200	1.00
187_F	191_L	1.198	1.00
30_I	82_L	1.194	1.00
185_E	190_A	1.174	1.00
205_I	212_S	1.172	1.00
206_A	212_S	1.159	1.00
209_L	229_I	1.156	1.00
188_K	192_K	1.153	1.00
213_L	217_E	1.142	1.00
97_A	104_N	1.138	1.00
103_R	109_I	1.137	1.00
104_N	113_I	1.135	1.00
103_R	106_N	1.134	1.00
189_I	192_K	1.130	1.00
59_F	100_Y	1.130	1.00
180_S	184_E	1.128	1.00
52_I	92_L	1.121	1.00
53_K	57_N	1.106	1.00
33_K	73_E	1.105	1.00
249_Y	253_K	1.104	1.00
219_A	224_A	1.102	1.00
29_A	33_K	1.097	1.00
193_D	197_A	1.093	1.00
98_K	102_L	1.092	1.00
193_D	196_T	1.085	1.00
33_K	38_I	1.081	1.00
248_I	252_L	1.077	1.00
103_R	113_I	1.076	1.00
94_A	133_Y	1.070	1.00
176_L	185_E	1.070	1.00
183_F	189_I	1.061	1.00
177_R	190_A	1.054	1.00
166_G	171_V	1.051	1.00
220_L	227_A	1.047	1.00
56_L	70_V	1.046	1.00
76_L	87_A	1.036	1.00
183_F	190_A	1.034	1.00
179_Y	182_V	1.034	1.00
218_I	221_K	1.028	1.00
184_E	187_F	1.028	1.00
183_F	186_I	1.027	1.00
59_F	96_I	1.025	1.00
243_G	246_G	1.025	1.00
104_N	112_A	1.014	1.00
180_S	183_F	1.006	1.00
92_L	96_I	1.005	1.00
182_V	189_I	0.998	1.00
110_L	113_I	0.989	1.00
146_R	149_K	0.988	1.00
93_I	107_P	0.985	1.00
205_I	208_I	0.981	1.00
34_V	91_A	0.976	1.00
60_K	100_Y	0.974	1.00
180_S	185_E	0.971	1.00
107_P	114_L	0.970	1.00
167_R	170_P	0.967	1.00
180_S	190_A	0.965	1.00
164_K	211_Y	0.950	0.99
106_N	109_I	0.950	0.99
180_S	189_I	0.947	0.99
51_L	89_S	0.938	0.99
182_V	188_K	0.938	0.99
48_E	53_K	0.933	0.99
176_L	184_E	0.927	0.99
45_Y	71_D	0.917	0.99
199_K	203_I	0.913	0.99
97_A	102_L	0.906	0.99
168_Q	172_N	0.906	0.99
108_P	112_A	0.901	0.99
182_V	186_I	0.897	0.99
104_N	107_P	0.896	0.99
130_V	138_A	0.895	0.99
29_A	32_L	0.891	0.99
94_A	98_K	0.890	0.99
177_R	182_V	0.889	0.99
43_R	46_S	0.886	0.99
156_N	243_G	0.885	0.99
58_Y	61_E	0.885	0.99
185_E	192_K	0.884	0.99
198_M	203_I	0.883	0.99
181_H	185_E	0.879	0.99
145_F	148_V	0.872	0.99
108_P	114_L	0.868	0.99
30_I	33_K	0.860	0.99
145_F	149_K	0.859	0.99
176_L	182_V	0.858	0.99
211_Y	214_E	0.847	0.99
44_V	67_D	0.847	0.99
176_L	187_F	0.840	0.99
183_F	187_F	0.840	0.99
110_L	114_L	0.835	0.99
182_V	190_A	0.831	0.99
194_Y	197_A	0.831	0.99
97_A	103_R	0.829	0.98
32_L	36_V	0.806	0.98
59_F	63_Y	0.803	0.98
79_K	234_P	0.803	0.98
103_R	112_A	0.803	0.98
32_L	38_I	0.801	0.98
174_N	180_S	0.800	0.98
193_D	198_M	0.793	0.98
82_L	159_I	0.790	0.98
179_Y	183_F	0.789	0.98
90_V	133_Y	0.787	0.98
216_I	236_Y	0.787	0.98
175_E	179_Y	0.787	0.98
219_A	227_A	0.786	0.98
141_Y	148_V	0.783	0.98
55_I	92_L	0.782	0.98
194_Y	204_L	0.780	0.98
43_R	69_E	0.777	0.98
156_N	262_R	0.771	0.98
97_A	101_D	0.767	0.97
53_K	70_V	0.766	0.97
179_Y	184_E	0.763	0.97
246_G	250_E	0.756	0.97
29_A	34_V	0.755	0.97
181_H	190_A	0.753	0.97
206_A	209_L	0.751	0.97
180_S	188_K	0.747	0.97
106_N	111_S	0.746	0.97
79_K	165_G	0.746	0.97
214_E	217_E	0.745	0.97
102_L	107_P	0.743	0.97
250_E	254_K	0.743	0.97
180_S	187_F	0.743	0.97
177_R	184_E	0.740	0.97
251_S	254_K	0.738	0.97
177_R	188_K	0.735	0.97
87_A	132_S	0.734	0.97
166_G	205_I	0.733	0.97
257_D	260_I	0.729	0.97
212_S	216_I	0.728	0.97
29_A	38_I	0.728	0.97
34_V	76_L	0.725	0.96
40_E	43_R	0.723	0.96
163_A	257_D	0.716	0.96
177_R	185_E	0.715	0.96
249_Y	260_I	0.710	0.96
70_V	92_L	0.710	0.96
86_S	132_S	0.708	0.96
238_A	252_L	0.706	0.96
39_R	71_D	0.704	0.96
177_R	183_F	0.704	0.96
175_E	184_E	0.701	0.96
36_V	95_E	0.701	0.96
161_I	235_S	0.700	0.96
216_I	227_A	0.698	0.96
174_N	184_E	0.696	0.96
222_K	248_I	0.692	0.95
175_E	185_E	0.691	0.95
230_S	235_S	0.689	0.95
35_K	71_D	0.687	0.95
174_N	188_K	0.684	0.95
249_Y	252_L	0.684	0.95
249_Y	258_V	0.683	0.95
209_L	213_L	0.683	0.95
36_V	56_L	0.682	0.95
179_Y	185_E	0.682	0.95
40_E	46_S	0.681	0.95
55_I	58_Y	0.680	0.95
111_S	114_L	0.672	0.95
241_K	245_E	0.671	0.95
105_I	111_S	0.668	0.94
161_I	259_I	0.667	0.94
56_L	96_I	0.667	0.94
251_S	255_F	0.665	0.94
32_L	39_R	0.661	0.94
181_H	189_I	0.660	0.94
102_L	109_I	0.659	0.94
44_V	53_K	0.659	0.94
250_E	253_K	0.655	0.94
105_I	109_I	0.653	0.94
184_E	190_A	0.647	0.93
39_R	43_R	0.645	0.93
58_Y	110_L	0.645	0.93
41_G	45_Y	0.644	0.93
83_K	132_S	0.643	0.93
151_E	154_E	0.642	0.93
244_E	247_P	0.641	0.93
252_L	255_F	0.640	0.93
182_V	187_F	0.639	0.93
104_N	111_S	0.637	0.93
178_K	184_E	0.637	0.93
188_K	191_L	0.632	0.93
220_L	224_A	0.624	0.92
166_G	234_P	0.624	0.92
101_D	108_P	0.624	0.92
193_D	199_K	0.624	0.92
157_L	237_F	0.622	0.92
158_S	238_A	0.621	0.92
178_K	182_V	0.621	0.92
178_K	183_F	0.619	0.92
103_R	114_L	0.616	0.92
126_L	140_T	0.614	0.92
57_N	60_K	0.613	0.92
247_P	251_S	0.612	0.91
218_I	255_F	0.611	0.91
184_E	189_I	0.609	0.91
240_S	245_E	0.605	0.91
180_S	186_I	0.600	0.91
205_I	210_G	0.599	0.91
156_N	245_E	0.596	0.90
181_H	188_K	0.595	0.90
102_L	108_P	0.592	0.90
74_S	88_V	0.592	0.90
214_E	218_I	0.590	0.90
86_S	131_A	0.589	0.90
174_N	183_F	0.586	0.90
183_F	188_K	0.586	0.90
101_D	109_I	0.585	0.90
175_E	182_V	0.581	0.89
176_L	189_I	0.579	0.89
171_V	205_I	0.576	0.89
41_G	44_V	0.576	0.89
63_Y	100_Y	0.574	0.89
195_L	204_L	0.573	0.89
194_Y	201_N	0.572	0.89
179_Y	189_I	0.571	0.88
225_L	241_K	0.571	0.88
212_S	236_Y	0.570	0.88
160_L	238_A	0.569	0.88
55_I	93_I	0.561	0.88
148_V	153_L	0.560	0.87
125_A	128_D	0.560	0.87
79_K	235_S	0.558	0.87
195_L	203_I	0.554	0.87
171_V	208_I	0.554	0.87
246_G	249_Y	0.553	0.87
195_L	202_G	0.552	0.87
197_A	201_N	0.552	0.87
228_G	235_S	0.549	0.86
192_K	198_M	0.549	0.86
59_F	92_L	0.546	0.86
175_E	181_H	0.545	0.86
215_P	236_Y	0.544	0.86
104_N	114_L	0.542	0.86
174_N	178_K	0.539	0.85
36_V	70_V	0.530	0.84
130_V	134_C	0.530	0.84
105_I	112_A	0.529	0.84
196_T	201_N	0.527	0.84
247_P	250_E	0.525	0.84
170_P	208_I	0.525	0.84
65_I	100_Y	0.523	0.84
82_L	230_S	0.522	0.84
174_N	181_H	0.521	0.83
177_R	187_F	0.520	0.83
199_K	202_G	0.518	0.83
140_T	147_I	0.516	0.83
44_V	47_Q	0.514	0.83
114_L	124_G	0.513	0.83
30_I	35_K	0.511	0.82
158_S	260_I	0.510	0.82
35_K	38_I	0.509	0.82
128_D	205_I	0.507	0.82
198_M	201_N	0.507	0.82
128_D	131_A	0.503	0.81
220_L	226_A	0.502	0.81
242_N	245_E	0.501	0.81
217_E	220_L	0.500	0.81

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
1h72C	2	0.9636	100	0.391	Contact Map
3hulA	4	0.9018	100	0.407	Contact Map
4p52A	2	0.9818	100	0.41	Contact Map
4rpfA	2	0.9745	100	0.414	Contact Map
3pyfA	1	0.9273	100	0.455	Contact Map
4hacA	2	0.9673	100	0.477	Contact Map
3qt5A	2	0.9491	100	0.49	Contact Map
2ww4A	2	0.9236	100	0.496	Contact Map
1uekA	1	0.8727	100	0.501	Contact Map
2v8pA	1	0.8909	100	0.506	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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