Q9HPW9 - HALSA - GREMLIN Contacts

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Q9HPW9 - Phosphoglycerate dehydrogenase

UniProt:	Q9HPW9	Sequences: MDRLRERGVAVTNAAGIHAPSIAEQVLGSVLTFARNLHEGWRRQQRREYRHYQAHELGGSTVTVVGLGAIGHAVVDRLQGFDVDTIGVRYTPSKGGPTDEVIGFDDAAVHDALARTDYLVLATPLTDTTRGLIDAAAFDTLPPESVLVNVARGGVVDTDALVTAIRRQSIRGAALDVTDPEPLPEDHPLWNFENVLLTPHNAGHTPDYWPRLADIVAENLSRLDAGDSLENRVD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	234 (223)
Sequences:	19453 (13089)
Seq/√Len:	876.5

ECOLI - SERA GHRA GHRB LDHD PDXB
BACSU - SERA TKRA YOAD
HALSA - Q9HPW9 Q9HMR0 Q9HSS1
SULSO - Q97ZK1 Q97U35

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
134_D	137_A	4.010	1.00
135_A	163_T	3.128	1.00
157_D	160_A	2.796	1.00
62_V	78_L	2.549	1.00
125_L	154_G	2.464	1.00
166_R	192_F	2.368	1.00
61_T	84_D	2.360	1.00
110_H	140_T	2.262	1.00
113_L	137_A	2.146	1.00
86_I	115_R	2.113	1.00
61_T	86_I	2.094	1.00
63_T	112_A	2.074	1.00
67_L	87_G	2.057	1.00
41_W	45_Q	2.055	1.00
114_A	140_T	1.996	1.00
143_P	169_S	1.974	1.00
131_G	179_D	1.956	1.00
222_R	227_D	1.909	1.00
27_L	78_L	1.895	1.00
139_D	169_S	1.871	1.00
34_A	118_Y	1.852	1.00
108_A	111_D	1.809	1.00
36_N	39_E	1.799	1.00
73_A	76_D	1.783	1.00
163_T	167_R	1.775	1.00
131_G	157_D	1.749	1.00
28_G	37_L	1.737	1.00
110_H	137_A	1.690	1.00
4_L	11_V	1.683	1.00
138_F	164_A	1.668	1.00
63_T	116_T	1.663	1.00
30_V	118_Y	1.654	1.00
29_S	174_A	1.652	1.00
146_V	172_G	1.643	1.00
135_A	139_D	1.636	1.00
145_S	170_I	1.617	1.00
20_P	58_G	1.613	1.00
133_I	138_F	1.601	1.00
27_L	81_F	1.595	1.00
125_L	130_R	1.581	1.00
32_T	38_H	1.577	1.00
3_R	6_E	1.573	1.00
162_V	166_R	1.548	1.00
166_R	188_P	1.532	1.00
111_D	115_R	1.526	1.00
158_T	179_D	1.522	1.00
141_L	145_S	1.506	1.00
162_V	192_F	1.505	1.00
64_V	71_G	1.503	1.00
147_L	156_V	1.498	1.00
221_S	225_A	1.494	1.00
133_I	137_A	1.491	1.00
192_F	195_V	1.480	1.00
62_V	83_V	1.449	1.00
42_R	45_Q	1.420	1.00
127_D	130_R	1.420	1.00
117_D	142_P	1.412	1.00
130_R	154_G	1.409	1.00
55_H	60_S	1.401	1.00
25_Q	202_A	1.399	1.00
136_A	140_T	1.393	1.00
84_D	105_D	1.391	1.00
3_R	7_R	1.386	1.00
161_L	173_A	1.381	1.00
137_A	140_T	1.375	1.00
73_A	77_R	1.373	1.00
33_F	172_G	1.366	1.00
78_L	83_V	1.360	1.00
60_S	207_D	1.359	1.00
20_P	73_A	1.358	1.00
24_E	77_R	1.355	1.00
56_E	211_R	1.350	1.00
135_A	160_A	1.342	1.00
222_R	230_E	1.329	1.00
113_L	133_I	1.327	1.00
121_L	155_V	1.318	1.00
74_V	122_A	1.307	1.00
146_V	171_R	1.301	1.00
151_A	155_V	1.295	1.00
122_A	150_V	1.282	1.00
26_V	74_V	1.270	1.00
43_R	48_E	1.262	1.00
26_V	150_V	1.254	1.00
42_R	46_R	1.251	1.00
223_L	229_L	1.208	1.00
121_L	147_L	1.201	1.00
76_D	82_D	1.197	1.00
64_V	75_V	1.197	1.00
25_Q	29_S	1.193	1.00
38_H	41_W	1.187	1.00
33_F	146_V	1.184	1.00
84_D	115_R	1.171	1.00
47_R	191_N	1.158	1.00
65_V	123_T	1.153	1.00
214_D	218_E	1.152	1.00
218_E	222_R	1.148	1.00
64_V	120_V	1.146	1.00
20_P	77_R	1.144	1.00
112_A	116_T	1.141	1.00
86_I	107_A	1.137	1.00
123_T	155_V	1.137	1.00
86_I	116_T	1.121	1.00
178_T	197_L	1.117	1.00
65_V	132_L	1.113	1.00
109_V	137_A	1.112	1.00
67_L	72_H	1.105	1.00
136_A	139_D	1.092	1.00
23_A	77_R	1.092	1.00
31_L	81_F	1.083	1.00
89_R	93_S	1.080	1.00
30_V	78_L	1.076	1.00
110_H	136_A	1.074	1.00
65_V	133_I	1.067	1.00
10_A	229_L	1.065	1.00
183_L	187_H	1.063	1.00
33_F	174_A	1.062	1.00
142_P	145_S	1.056	1.00
30_V	62_V	1.052	1.00
74_V	120_V	1.039	1.00
119_L	141_L	1.037	1.00
18_H	203_G	1.036	1.00
118_Y	146_V	1.032	1.00
218_E	230_E	1.030	1.00
61_T	115_R	1.017	1.00
180_P	184_P	1.017	1.00
159_D	188_P	1.014	1.00
25_Q	198_T	1.002	1.00
33_F	196_L	0.999	1.00
132_L	155_V	0.992	1.00
162_V	188_P	0.991	1.00
28_G	31_L	0.987	1.00
165_I	195_V	0.975	1.00
134_D	160_A	0.969	1.00
164_A	169_S	0.956	1.00
105_D	115_R	0.956	1.00
120_V	150_V	0.955	1.00
76_D	79_Q	0.943	1.00
210_P	214_D	0.940	1.00
34_A	60_S	0.936	1.00
109_V	113_L	0.935	1.00
25_Q	174_A	0.922	1.00
219_N	222_R	0.920	1.00
90_Y	128_T	0.917	1.00
34_A	55_H	0.914	1.00
74_V	78_L	0.907	1.00
144_E	169_S	0.903	1.00
79_Q	103_G	0.902	1.00
166_R	191_N	0.900	1.00
164_A	170_I	0.897	1.00
65_V	119_L	0.894	1.00
65_V	109_V	0.893	1.00
158_T	180_P	0.892	1.00
123_T	132_L	0.881	1.00
72_H	93_S	0.880	1.00
21_S	56_E	0.877	1.00
158_T	187_H	0.877	1.00
29_S	196_L	0.876	1.00
134_D	157_D	0.870	1.00
62_V	120_V	0.866	1.00
138_F	147_L	0.859	1.00
116_T	119_L	0.854	1.00
75_V	85_T	0.854	1.00
110_H	114_A	0.849	1.00
107_A	111_D	0.843	1.00
180_P	183_L	0.843	1.00
38_H	42_R	0.840	1.00
67_L	75_V	0.838	1.00
27_L	77_R	0.833	1.00
156_V	161_L	0.831	1.00
56_E	205_T	0.829	1.00
58_G	82_D	0.828	1.00
87_G	104_F	0.825	1.00
55_H	206_P	0.824	1.00
133_I	147_L	0.824	1.00
65_V	121_L	0.816	1.00
64_V	74_V	0.807	1.00
124_P	129_T	0.805	1.00
92_P	106_D	0.799	1.00
32_T	196_L	0.799	1.00
121_L	133_I	0.797	1.00
172_G	196_L	0.797	1.00
34_A	146_V	0.794	1.00
19_A	69_A	0.792	1.00
32_T	37_L	0.788	1.00
135_A	169_S	0.780	1.00
111_D	114_A	0.777	1.00
57_L	83_V	0.774	1.00
183_L	186_D	0.772	1.00
19_A	73_A	0.771	1.00
144_E	171_R	0.769	1.00
40_G	201_N	0.766	1.00
27_L	74_V	0.764	1.00
42_R	193_E	0.761	1.00
55_H	207_D	0.761	1.00
26_V	122_A	0.759	1.00
14_A	215_I	0.759	1.00
28_G	32_T	0.756	1.00
103_G	107_A	0.756	1.00
104_F	107_A	0.751	1.00
109_V	132_L	0.743	1.00
100_E	103_G	0.743	1.00
211_R	214_D	0.740	1.00
138_F	141_L	0.740	1.00
20_P	24_E	0.738	1.00
34_A	38_H	0.736	1.00
113_L	119_L	0.735	1.00
159_D	163_T	0.733	1.00
158_T	189_L	0.732	1.00
87_G	106_D	0.731	1.00
173_A	195_V	0.730	1.00
217_A	221_S	0.729	1.00
175_L	195_V	0.727	1.00
107_A	115_R	0.726	1.00
138_F	169_S	0.724	1.00
163_T	166_R	0.720	1.00
16_G	69_A	0.715	1.00
26_V	120_V	0.712	1.00
139_D	167_R	0.706	1.00
23_A	73_A	0.705	1.00
43_R	46_R	0.701	1.00
22_I	202_A	0.701	1.00
178_T	183_L	0.699	1.00
125_L	129_T	0.698	1.00
60_S	118_Y	0.696	1.00
113_L	140_T	0.694	1.00
30_V	74_V	0.693	1.00
165_I	173_A	0.692	1.00
77_R	81_F	0.690	1.00
159_D	179_D	0.690	1.00
16_G	215_I	0.688	1.00
88_V	109_V	0.685	1.00
21_S	208_Y	0.683	1.00
161_L	170_I	0.683	1.00
20_P	56_E	0.676	1.00
135_A	167_R	0.675	1.00
107_A	112_A	0.674	1.00
27_L	30_V	0.673	1.00
55_H	144_E	0.665	1.00
187_H	191_N	0.665	1.00
113_L	141_L	0.664	1.00
121_L	151_A	0.660	1.00
24_E	35_R	0.660	1.00
165_I	194_N	0.659	1.00
43_R	51_H	0.658	1.00
21_S	24_E	0.656	1.00
61_T	116_T	0.650	1.00
61_T	117_D	0.649	1.00
58_G	211_R	0.643	1.00
204_H	209_W	0.640	1.00
41_W	44_Q	0.638	1.00
89_R	92_P	0.637	1.00
30_V	57_L	0.635	1.00
14_A	212_L	0.634	1.00
119_L	145_S	0.631	1.00
40_G	199_P	0.630	1.00
163_T	169_S	0.630	1.00
156_V	173_A	0.630	1.00
72_H	76_D	0.628	1.00
222_R	228_S	0.628	1.00
206_P	210_P	0.628	1.00
30_V	120_V	0.625	1.00
17_I	212_L	0.625	1.00
184_P	188_P	0.620	1.00
218_E	221_S	0.620	1.00
154_G	179_D	0.620	1.00
12_T	219_N	0.620	1.00
44_Q	190_W	0.616	1.00
16_G	19_A	0.615	1.00
183_L	190_W	0.613	1.00
119_L	142_P	0.612	1.00
77_R	80_G	0.612	1.00
164_A	167_R	0.612	1.00
20_P	82_D	0.612	1.00
126_T	129_T	0.611	1.00
43_R	50_R	0.610	1.00
158_T	162_V	0.603	1.00
184_P	187_H	0.602	1.00
146_V	174_A	0.598	1.00
29_S	32_T	0.593	1.00
61_T	142_P	0.586	1.00
43_R	52_Y	0.585	1.00
215_I	219_N	0.584	1.00
130_R	179_D	0.584	1.00
26_V	29_S	0.583	1.00
135_A	164_A	0.577	1.00
40_G	52_Y	0.576	1.00
222_R	229_L	0.576	1.00
60_S	117_D	0.575	1.00
17_I	203_G	0.575	1.00
152_R	200_H	0.570	1.00
63_T	88_V	0.567	1.00
161_L	175_L	0.565	1.00
62_V	74_V	0.564	1.00
14_A	17_I	0.563	1.00
86_I	112_A	0.557	1.00
44_Q	178_T	0.554	1.00
216_V	219_N	0.554	1.00
75_V	87_G	0.554	1.00
60_S	83_V	0.553	1.00
190_W	197_L	0.551	1.00
17_I	208_Y	0.551	1.00
25_Q	35_R	0.550	1.00
144_E	170_I	0.550	1.00
30_V	148_V	0.549	1.00
174_A	196_L	0.549	1.00
7_R	10_A	0.549	1.00
131_G	154_G	0.548	1.00
94_K	100_E	0.548	1.00
17_I	215_I	0.547	1.00
34_A	57_L	0.546	1.00
39_E	43_R	0.545	1.00
32_T	41_W	0.542	1.00
214_D	217_A	0.539	1.00
41_W	197_L	0.537	1.00
168_Q	194_N	0.536	1.00
67_L	89_R	0.535	1.00
40_G	43_R	0.534	1.00
21_S	205_T	0.531	1.00
123_T	151_A	0.531	1.00
65_V	112_A	0.529	1.00
123_T	129_T	0.529	1.00
79_Q	85_T	0.525	1.00
67_L	106_D	0.525	1.00
83_V	118_Y	0.523	1.00
166_R	193_E	0.523	1.00
215_I	218_E	0.520	1.00
56_E	207_D	0.513	1.00
57_L	81_F	0.509	1.00
221_S	227_D	0.508	1.00
55_H	171_R	0.508	1.00
18_H	21_S	0.506	1.00
180_P	187_H	0.505	1.00
162_V	195_V	0.501	1.00
103_G	106_D	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
1sc6A	4	0.9316	100	0.17	Contact Map
1mx3A	3	0.9915	100	0.171	Contact Map
3ba1A	2	0.9744	100	0.176	Contact Map
4g2nA	3	0.9829	100	0.178	Contact Map
3k5pA	3	0.9615	100	0.178	Contact Map
2w2kA	2	0.9915	100	0.179	Contact Map
2g76A	2	0.9444	100	0.18	Contact Map
1dxyA	5	0.9829	100	0.18	Contact Map
3jtmA	2	0.9957	100	0.18	Contact Map
2j6iA	2	0.9957	100	0.18	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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