Q9HP74 - HALSA - GREMLIN Contacts

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Q9HP74 - 3-phosphoglycerate kinase

UniProt:	Q9HP74	Sequences: MAPPVDDYDVWLFDLDGTLVDTEWSYTRSVFDQVGDRLGVEFTDQHAERLWHGIGGTRDHYLRAWGIDPEAFWPAFHAVEDPMARAEATYLYEDARPLGGLDAPTGVVTHCQSFLTDPVLDHLDIADWFDVVVSCTDDTGWKPDPQPLRVALGGLDAQPDAAGVYAGDAVSDVGAAKNASLDAVHVERHSPGKRGHCVLGDHRVSSFADVFPSGDGDA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	218 (200)
Sequences:	28773 (23074)
Seq/√Len:	1631.6

ECOLI - YIEH YNIC GPH YRFG YIGB YFBT YJJG YQAB PGMB YIHX
BACSU - YFNB YHCW PPAX YSAA PGMB
HALSA - Q9HP74 Q9HSS2 Q9HQE2 Q9HMC4
SULSO - Q7LXL6 Q97ZU6 Q7LX46 Q97YZ1 Q97X58 Q97WT6

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
9_D	162_A	4.149	1.00
121_D	126_A	3.228	1.00
140_G	144_D	2.954	1.00
150_V	154_G	2.863	1.00
176_A	183_A	2.625	1.00
113_S	117_D	2.606	1.00
158_Q	161_A	2.543	1.00
167_G	172_D	2.512	1.00
10_V	157_A	2.487	1.00
8_Y	182_D	2.378	1.00
106_G	131_V	2.358	1.00
104_P	130_D	2.290	1.00
113_S	137_D	2.269	1.00
140_G	146_Q	2.264	1.00
150_V	153_G	2.250	1.00
13_F	105_T	2.197	1.00
131_V	154_G	2.174	1.00
108_V	147_P	2.131	1.00
152_L	163_G	2.105	1.00
177_K	201_D	2.061	1.00
205_S	209_D	2.050	1.00
173_V	183_A	2.037	1.00
109_T	116_T	2.001	1.00
174_G	178_N	1.984	1.00
182_D	201_D	1.885	1.00
11_W	103_A	1.880	1.00
99_G	128_W	1.832	1.00
165_Y	176_A	1.774	1.00
158_Q	162_A	1.758	1.00
152_L	181_L	1.726	1.00
164_V	184_V	1.698	1.00
117_D	126_A	1.697	1.00
10_V	155_L	1.613	1.00
105_T	129_F	1.600	1.00
95_A	207_F	1.597	1.00
12_L	151_A	1.596	1.00
157_A	163_G	1.563	1.00
8_Y	164_V	1.555	1.00
37_R	78_A	1.547	1.00
12_L	165_Y	1.538	1.00
12_L	108_V	1.538	1.00
187_E	205_S	1.538	1.00
152_L	159_P	1.507	1.00
106_G	155_L	1.436	1.00
33_Q	82_P	1.421	1.00
11_W	166_A	1.416	1.00
99_G	130_D	1.373	1.00
184_V	202_H	1.362	1.00
76_F	80_E	1.352	1.00
184_V	204_V	1.348	1.00
187_E	203_R	1.345	1.00
170_V	174_G	1.344	1.00
18_T	166_A	1.334	1.00
15_L	107_V	1.306	1.00
117_D	121_D	1.285	1.00
92_Y	188_R	1.275	1.00
15_L	116_T	1.274	1.00
145_P	149_R	1.273	1.00
206_S	209_D	1.260	1.00
15_L	20_V	1.253	1.00
74_P	78_A	1.247	1.00
19_L	95_A	1.241	1.00
133_V	154_G	1.232	1.00
78_A	82_P	1.217	1.00
148_L	165_Y	1.216	1.00
91_L	125_I	1.193	1.00
71_A	74_P	1.187	1.00
78_A	81_D	1.174	1.00
148_L	175_A	1.164	1.00
133_V	151_A	1.158	1.00
76_F	79_V	1.158	1.00
52_H	55_G	1.157	1.00
68_D	71_A	1.149	1.00
34_V	38_L	1.145	1.00
12_L	163_G	1.141	1.00
33_Q	37_R	1.139	1.00
193_K	197_C	1.138	1.00
94_D	97_P	1.119	1.00
10_V	163_G	1.116	1.00
38_L	78_A	1.115	1.00
148_L	181_L	1.112	1.00
10_V	104_P	1.104	1.00
16_D	22_T	1.100	1.00
146_Q	150_V	1.087	1.00
77_H	81_D	1.086	1.00
116_T	134_S	1.085	1.00
108_V	151_A	1.082	1.00
60_H	63_R	1.076	1.00
43_T	46_H	1.072	1.00
48_E	51_W	1.070	1.00
75_A	79_V	1.065	1.00
163_G	181_L	1.060	1.00
97_P	208_A	1.057	1.00
15_L	111_C	1.054	1.00
99_G	105_T	1.053	1.00
149_R	153_G	1.035	1.00
124_D	127_D	1.026	1.00
165_Y	181_L	1.018	1.00
96_R	128_W	1.016	1.00
118_P	122_H	1.015	1.00
54_I	57_T	1.014	1.00
131_V	155_L	1.013	1.00
151_A	155_L	1.012	1.00
10_V	106_G	1.012	1.00
182_D	202_H	1.012	1.00
32_D	36_D	1.009	1.00
146_Q	149_R	1.006	1.00
59_D	63_R	0.999	1.00
149_R	179_A	0.998	1.00
28_R	33_Q	0.992	1.00
58_R	61_Y	0.986	1.00
107_V	129_F	0.985	1.00
53_G	57_T	0.985	1.00
91_L	96_R	0.984	1.00
177_K	183_A	0.980	1.00
33_Q	36_D	0.979	1.00
113_S	134_S	0.968	1.00
36_D	42_F	0.960	1.00
118_P	121_D	0.957	1.00
73_W	77_H	0.957	1.00
75_A	78_A	0.956	1.00
11_W	98_L	0.935	1.00
171_S	174_G	0.932	1.00
57_T	60_H	0.930	1.00
92_Y	95_A	0.919	1.00
58_R	62_L	0.916	1.00
173_V	200_G	0.913	1.00
37_R	82_P	0.903	1.00
177_K	199_L	0.898	1.00
183_A	201_D	0.895	1.00
79_V	82_P	0.892	1.00
138_D	150_V	0.890	1.00
133_V	150_V	0.883	1.00
148_L	167_G	0.883	1.00
45_Q	49_R	0.878	1.00
16_D	111_C	0.878	1.00
113_S	136_T	0.876	1.00
166_A	184_V	0.871	1.00
109_T	134_S	0.869	1.00
15_L	119_V	0.868	1.00
12_L	181_L	0.862	1.00
47_A	52_H	0.859	1.00
175_A	179_A	0.850	1.00
98_L	101_L	0.847	1.00
164_V	182_D	0.843	1.00
60_H	64_A	0.843	1.00
72_F	75_A	0.837	1.00
12_L	155_L	0.833	1.00
116_T	119_V	0.828	1.00
94_D	206_S	0.814	1.00
204_V	210_V	0.811	1.00
20_V	119_V	0.807	1.00
134_S	137_D	0.806	1.00
92_Y	186_V	0.803	1.00
72_F	76_F	0.800	1.00
139_T	146_Q	0.799	1.00
106_G	151_A	0.794	1.00
11_W	164_V	0.793	1.00
8_Y	103_A	0.792	1.00
105_T	128_W	0.790	1.00
94_D	208_A	0.790	1.00
28_R	32_D	0.787	1.00
166_A	210_V	0.781	1.00
28_R	88_A	0.781	1.00
46_H	49_R	0.780	1.00
59_D	65_W	0.778	1.00
35_G	40_V	0.766	1.00
188_R	207_F	0.764	1.00
16_D	109_T	0.763	1.00
137_D	154_G	0.762	1.00
149_R	159_P	0.761	1.00
184_V	210_V	0.760	1.00
99_G	102_D	0.758	1.00
111_C	116_T	0.757	1.00
50_L	53_G	0.749	1.00
9_D	103_A	0.747	1.00
20_V	123_L	0.745	1.00
77_H	80_E	0.744	1.00
117_D	132_V	0.743	1.00
48_E	52_H	0.738	1.00
98_L	103_A	0.733	1.00
159_P	181_L	0.732	1.00
185_H	203_R	0.732	1.00
131_V	151_A	0.731	1.00
110_H	141_W	0.727	1.00
37_R	75_A	0.727	1.00
185_H	196_H	0.726	1.00
157_A	162_A	0.726	1.00
61_Y	65_W	0.724	1.00
194_R	197_C	0.714	1.00
173_V	185_H	0.712	1.00
27_T	32_D	0.711	1.00
69_P	73_W	0.710	1.00
193_K	205_S	0.709	1.00
16_D	168_D	0.703	1.00
120_L	126_A	0.703	1.00
74_P	77_H	0.699	1.00
96_R	124_D	0.695	1.00
47_A	51_W	0.694	1.00
116_T	132_V	0.693	1.00
62_L	65_W	0.693	1.00
186_V	207_F	0.691	1.00
174_G	177_K	0.690	1.00
12_L	106_G	0.688	1.00
9_D	157_A	0.684	1.00
110_H	143_P	0.683	1.00
104_P	157_A	0.683	1.00
47_A	50_L	0.682	1.00
145_P	178_N	0.679	1.00
159_P	163_G	0.675	1.00
56_G	60_H	0.672	1.00
16_D	119_V	0.666	1.00
208_A	211_F	0.666	1.00
9_D	104_P	0.665	1.00
204_V	207_F	0.663	1.00
45_Q	48_E	0.662	1.00
8_Y	162_A	0.662	1.00
51_W	54_I	0.661	1.00
152_L	157_A	0.659	1.00
32_D	43_T	0.659	1.00
207_F	211_F	0.657	1.00
71_A	75_A	0.657	1.00
32_D	42_F	0.657	1.00
17_G	23_E	0.656	1.00
18_T	172_D	0.653	1.00
32_D	44_D	0.649	1.00
21_D	90_Y	0.647	1.00
67_I	71_A	0.644	1.00
51_W	55_G	0.642	1.00
105_T	130_D	0.642	1.00
133_V	147_P	0.636	1.00
148_L	172_D	0.633	1.00
116_T	120_L	0.633	1.00
204_V	211_F	0.633	1.00
36_D	41_E	0.628	1.00
165_Y	172_D	0.628	1.00
70_E	74_P	0.626	1.00
93_E	208_A	0.625	1.00
91_L	123_L	0.623	1.00
24_W	90_Y	0.621	1.00
165_Y	175_A	0.618	1.00
26_Y	30_V	0.617	1.00
147_P	151_A	0.616	1.00
149_R	152_L	0.608	1.00
18_T	186_V	0.600	1.00
110_H	135_C	0.600	1.00
108_V	165_Y	0.600	1.00
129_F	132_V	0.599	1.00
75_A	80_E	0.581	1.00
22_T	111_C	0.574	1.00
138_D	147_P	0.574	1.00
70_E	73_W	0.573	1.00
131_V	134_S	0.569	1.00
59_D	69_P	0.568	1.00
39_G	42_F	0.565	1.00
21_D	24_W	0.564	1.00
86_A	118_P	0.560	1.00
26_Y	111_C	0.554	1.00
147_P	175_A	0.553	1.00
135_C	147_P	0.552	1.00
46_H	50_L	0.551	1.00
8_Y	11_W	0.550	1.00
174_G	199_L	0.549	1.00
20_V	89_T	0.548	1.00
152_L	158_Q	0.548	1.00
99_G	127_D	0.547	1.00
185_H	200_G	0.545	1.00
98_L	105_T	0.541	1.00
111_C	167_G	0.538	1.00
108_V	133_V	0.537	1.00
148_L	176_A	0.536	1.00
73_W	76_F	0.535	1.00
98_L	102_D	0.535	1.00
93_E	206_S	0.535	1.00
110_H	171_S	0.533	1.00
12_L	148_L	0.533	1.00
49_R	52_H	0.531	1.00
46_H	51_W	0.529	1.00
152_L	179_A	0.529	1.00
133_V	155_L	0.528	1.00
66_G	69_P	0.526	1.00
111_C	115_L	0.526	1.00
114_F	118_P	0.524	1.00
25_S	89_T	0.523	1.00
49_R	53_G	0.521	1.00
38_L	75_A	0.519	1.00
34_V	37_R	0.517	1.00
114_F	117_D	0.516	1.00
29_S	34_V	0.516	1.00
59_D	62_L	0.513	1.00
121_D	127_D	0.510	1.00
112_Q	115_L	0.510	1.00
120_L	125_I	0.509	1.00
61_Y	64_A	0.507	1.00
191_P	194_R	0.504	1.00
19_L	107_V	0.504	1.00
86_A	89_T	0.503	1.00
173_V	177_K	0.501	1.00
174_G	198_V	0.501	1.00
171_S	175_A	0.500	1.00

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
4uw9A	1	0.8991	100	0.31	Contact Map
3qxgA	3	0.9679	100	0.317	Contact Map
3s6jA	2	0.9633	100	0.321	Contact Map
1te2A	2	0.9587	100	0.323	Contact Map
1swvA	2	0.9679	100	0.329	Contact Map
4eekA	2	0.9495	100	0.329	Contact Map
3umbA	2	0.9312	100	0.33	Contact Map
3dv9A	1	0.9725	100	0.33	Contact Map
2hdoA	1	0.9266	100	0.331	Contact Map
3l5kA	1	0.9817	100	0.334	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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