Q9HRM8 - HALSA - GREMLIN Contacts

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Q9HRM8 - Citrate (Pro-3S)-lyase

UniProt:	Q9HRM8	Sequences: MPGRWTPPVKVAPETYKMGAAVVVHMTRRSVLFSPGDQPSLMRKAPTTGADVVVFDLEDAVAPARKGDARRAVSDLLTAADFDPDCEVCVRVNPVGSGAGDDVDAVLSGGGFDSVVVPKVTDADDVATVDSLLAEHDATSPVLALVESAAGVLNAHEIAAAGPTDALVFGAEDLSADIGATRTDEGTEVLYARERVVLAASAAGVDAIDTVHTAIEDPSAVAADARFAADLGFDGKLAIHPAQVDPINDAYTPTEADTAWATRVLDAAADSDAGVFRVDGEMIDAPLIAQAERIMRRARAADN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	303 (269)
Sequences:	3794 (2526)
Seq/√Len:	154.0

ECOLI - CITE
HALSA - Q9HRM8
SULSO - Q97YR5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
263_R	279_D	4.454	1.00
222_A	249_D	4.329	1.00
238_A	247_I	4.323	1.00
212_H	220_A	4.227	1.00
36_G	73_V	3.787	1.00
89_C	114_S	3.771	1.00
260_W	264_V	3.223	1.00
65_R	68_D	3.139	1.00
222_A	226_R	2.961	1.00
154_N	157_E	2.801	1.00
149_A	177_D	2.798	1.00
191_Y	195_R	2.760	1.00
159_A	167_L	2.711	1.00
216_E	242_A	2.511	1.00
30_S	248_N	2.482	1.00
70_R	102_D	2.461	1.00
92_V	99_A	2.261	1.00
265_L	295_M	2.203	1.00
221_V	247_I	2.203	1.00
224_D	236_K	2.201	1.00
144_A	164_T	2.163	1.00
285_A	289_A	2.161	1.00
89_C	116_V	2.159	1.00
215_I	277_R	2.148	1.00
153_L	195_R	2.115	1.00
263_R	278_V	2.081	1.00
169_F	174_L	2.070	1.00
254_T	257_D	2.062	1.00
28_R	87_E	2.031	1.00
245_D	249_D	2.030	1.00
117_V	129_V	2.027	1.00
289_A	292_E	2.009	1.00
71_R	75_D	1.945	1.00
174_L	178_I	1.929	1.00
264_V	278_V	1.879	1.00
121_T	150_A	1.876	1.00
255_E	259_A	1.872	1.00
55_F	73_V	1.865	1.00
37_D	65_R	1.848	1.00
229_A	257_D	1.839	1.00
101_D	104_D	1.809	1.00
225_A	250_A	1.797	1.00
209_D	236_K	1.719	1.00
122_D	125_D	1.710	1.00
127_A	161_A	1.683	1.00
153_L	202_A	1.630	1.00
37_D	62_A	1.628	1.00
258_T	294_I	1.620	1.00
259_A	263_R	1.609	1.00
278_V	283_I	1.603	1.00
262_T	299_R	1.594	1.00
124_D	127_A	1.577	1.00
171_A	210_T	1.567	1.00
155_A	199_A	1.545	1.00
31_V	52_V	1.545	1.00
141_P	165_D	1.523	1.00
172_E	213_T	1.488	1.00
67_G	101_D	1.482	1.00
95_V	99_A	1.466	1.00
214_A	217_D	1.465	1.00
219_S	222_A	1.465	1.00
33_F	237_L	1.464	1.00
39_P	72_A	1.455	1.00
168_V	237_L	1.448	1.00
31_V	208_I	1.431	1.00
94_P	97_S	1.431	1.00
38_Q	41_L	1.417	1.00
137_D	140_S	1.416	1.00
126_V	144_A	1.410	1.00
221_V	246_P	1.393	1.00
293_R	297_R	1.365	1.00
262_T	266_D	1.361	1.00
120_V	158_I	1.359	1.00
200_A	207_A	1.358	1.00
222_A	250_A	1.345	1.00
181_T	230_D	1.338	1.00
68_D	72_A	1.309	1.00
29_R	248_N	1.307	1.00
156_H	195_R	1.275	1.00
90_V	106_V	1.266	1.00
225_A	236_K	1.263	1.00
133_L	142_V	1.261	1.00
228_A	251_Y	1.260	1.00
196_V	207_A	1.259	1.00
146_V	155_A	1.258	1.00
216_E	277_R	1.251	1.00
49_G	86_C	1.231	1.00
74_S	105_A	1.226	1.00
190_L	194_E	1.217	1.00
152_V	192_A	1.215	1.00
260_W	294_I	1.207	1.00
100_G	132_L	1.207	1.00
31_V	54_V	1.206	1.00
150_A	154_N	1.195	1.00
218_P	222_A	1.194	1.00
288_I	292_E	1.190	1.00
130_D	162_G	1.190	1.00
176_A	289_A	1.182	1.00
153_L	156_H	1.175	1.00
156_H	202_A	1.162	1.00
146_V	152_V	1.160	1.00
143_L	168_V	1.151	1.00
116_V	168_V	1.138	1.00
144_A	158_I	1.132	1.00
207_A	234_D	1.132	1.00
75_D	79_A	1.128	1.00
100_G	104_D	1.114	1.00
292_E	296_R	1.110	0.99
59_D	119_K	1.104	0.99
193_R	209_D	1.096	0.99
172_E	286_P	1.086	0.99
285_A	292_E	1.083	0.99
52_V	89_C	1.077	0.99
151_G	155_A	1.060	0.99
258_T	295_M	1.045	0.99
123_A	157_E	1.041	0.99
42_M	55_F	1.040	0.99
67_G	71_R	1.036	0.99
46_P	76_L	1.033	0.99
115_V	133_L	1.021	0.99
212_H	224_D	1.018	0.99
190_L	231_L	1.014	0.99
246_P	250_A	1.010	0.99
181_T	257_D	1.008	0.99
208_I	237_L	1.006	0.99
217_D	220_A	1.005	0.99
42_M	76_L	0.995	0.99
201_S	234_D	0.985	0.99
191_Y	194_E	0.984	0.99
260_W	279_D	0.983	0.99
213_T	282_M	0.981	0.99
218_P	242_A	0.976	0.99
260_W	281_E	0.973	0.99
179_G	293_R	0.969	0.99
221_V	225_A	0.969	0.99
150_A	160_A	0.965	0.99
155_A	159_A	0.961	0.99
74_S	78_T	0.955	0.98
103_V	129_V	0.953	0.98
172_E	287_L	0.939	0.98
223_A	227_F	0.934	0.98
156_H	160_A	0.934	0.98
99_A	129_V	0.930	0.98
68_D	71_R	0.928	0.98
258_T	298_A	0.924	0.98
43_R	46_P	0.922	0.98
219_S	223_A	0.921	0.98
174_L	198_L	0.915	0.98
73_V	90_V	0.913	0.98
44_K	47_T	0.908	0.98
256_A	259_A	0.905	0.98
269_A	292_E	0.898	0.98
124_D	128_T	0.896	0.98
221_V	243_Q	0.894	0.98
130_D	163_P	0.893	0.98
225_A	251_Y	0.886	0.97
222_A	246_P	0.885	0.97
190_L	227_F	0.885	0.97
125_D	128_T	0.876	0.97
197_V	233_F	0.875	0.97
275_V	284_D	0.875	0.97
191_Y	198_L	0.858	0.97
61_V	69_A	0.856	0.97
123_A	154_N	0.855	0.97
33_F	211_V	0.854	0.97
108_S	112_F	0.852	0.97
253_P	258_T	0.851	0.97
292_E	299_R	0.850	0.97
175_S	189_V	0.849	0.97
39_P	42_M	0.848	0.97
123_A	127_A	0.846	0.97
147_E	173_D	0.843	0.97
175_S	180_A	0.842	0.97
187_T	227_F	0.837	0.96
183_T	188_E	0.830	0.96
146_V	158_I	0.830	0.96
143_L	166_A	0.828	0.96
48_T	244_V	0.827	0.96
122_D	154_N	0.826	0.96
107_L	133_L	0.824	0.96
152_V	198_L	0.824	0.96
166_A	200_A	0.823	0.96
103_V	136_H	0.822	0.96
214_A	281_E	0.822	0.96
195_R	198_L	0.819	0.96
122_D	158_I	0.799	0.95
212_H	236_K	0.797	0.95
172_E	282_M	0.797	0.95
165_D	206_D	0.796	0.95
43_R	79_A	0.794	0.95
209_D	228_A	0.793	0.95
80_A	83_D	0.793	0.95
117_V	126_V	0.792	0.95
258_T	262_T	0.789	0.95
96_G	125_D	0.789	0.95
286_P	290_Q	0.788	0.95
91_R	95_V	0.785	0.95
28_R	52_V	0.784	0.95
160_A	203_A	0.782	0.95
104_D	132_L	0.780	0.95
169_F	192_A	0.778	0.95
34_S	53_V	0.777	0.95
149_A	202_A	0.775	0.95
168_V	235_G	0.774	0.95
143_L	208_I	0.770	0.94
152_V	174_L	0.766	0.94
150_A	202_A	0.766	0.94
62_A	65_R	0.761	0.94
167_L	200_A	0.759	0.94
187_T	190_L	0.754	0.94
194_E	197_V	0.753	0.94
72_A	75_D	0.752	0.94
296_R	299_R	0.750	0.94
58_E	119_K	0.749	0.94
126_V	129_V	0.749	0.94
40_S	43_R	0.748	0.93
262_T	295_M	0.747	0.93
218_P	246_P	0.743	0.93
212_H	243_Q	0.737	0.93
277_R	280_G	0.734	0.93
66_K	93_N	0.734	0.93
225_A	247_I	0.730	0.93
177_D	201_S	0.729	0.93
146_V	196_V	0.726	0.92
28_R	206_D	0.725	0.92
174_L	192_A	0.725	0.92
42_M	72_A	0.725	0.92
273_A	276_F	0.724	0.92
107_L	137_D	0.724	0.92
49_G	245_D	0.721	0.92
149_A	178_I	0.720	0.92
284_D	287_L	0.719	0.92
92_V	129_V	0.719	0.92
117_V	120_V	0.717	0.92
39_P	43_R	0.715	0.92
172_E	284_D	0.714	0.92
121_T	151_G	0.714	0.92
215_I	242_A	0.710	0.92
209_D	224_D	0.708	0.91
28_R	31_V	0.705	0.91
208_I	235_G	0.705	0.91
81_D	113_D	0.704	0.91
259_A	262_T	0.704	0.91
58_E	147_E	0.703	0.91
207_A	284_D	0.702	0.91
128_T	131_S	0.700	0.91
92_V	117_V	0.699	0.91
266_D	270_D	0.698	0.91
185_E	230_D	0.696	0.91
123_A	161_A	0.695	0.91
31_V	89_C	0.695	0.91
290_Q	294_I	0.691	0.90
45_A	55_F	0.683	0.90
169_F	196_V	0.682	0.90
148_S	177_D	0.681	0.90
146_V	151_G	0.681	0.90
29_R	51_D	0.678	0.90
33_F	171_A	0.678	0.90
244_V	248_N	0.678	0.90
276_F	285_A	0.675	0.89
61_V	66_K	0.673	0.89
229_A	250_A	0.672	0.89
103_V	115_V	0.672	0.89
54_V	116_V	0.666	0.89
266_D	269_A	0.663	0.89
70_R	93_N	0.663	0.89
206_D	234_D	0.662	0.89
90_V	105_A	0.659	0.88
29_R	252_T	0.659	0.88
275_V	282_M	0.658	0.88
295_M	299_R	0.657	0.88
152_V	155_A	0.655	0.88
215_I	239_I	0.651	0.88
96_G	99_A	0.648	0.87
182_R	290_Q	0.644	0.87
157_E	160_A	0.642	0.87
147_E	170_G	0.642	0.87
106_V	112_F	0.642	0.87
43_R	47_T	0.641	0.87
31_V	143_L	0.640	0.87
35_P	240_H	0.640	0.87
175_S	182_R	0.639	0.87
166_A	207_A	0.638	0.87
40_S	48_T	0.635	0.86
276_F	283_I	0.635	0.86
226_R	230_D	0.631	0.86
265_L	292_E	0.628	0.86
104_D	136_H	0.625	0.86
50_A	244_V	0.623	0.85
210_T	237_L	0.623	0.85
259_A	266_D	0.622	0.85
58_E	173_D	0.622	0.85
127_A	131_S	0.621	0.85
100_G	128_T	0.619	0.85
264_V	279_D	0.615	0.85
33_F	54_V	0.615	0.85
121_T	125_D	0.614	0.85
77_L	88_V	0.614	0.85
129_V	142_V	0.613	0.84
260_W	278_V	0.613	0.84
166_A	208_I	0.611	0.84
115_V	142_V	0.609	0.84
73_V	112_F	0.608	0.84
155_A	195_R	0.607	0.84
268_A	288_I	0.607	0.84
260_W	263_R	0.603	0.83
133_L	140_S	0.603	0.83
42_M	45_A	0.602	0.83
194_E	231_L	0.599	0.83
105_A	108_S	0.598	0.83
150_A	203_A	0.597	0.83
121_T	148_S	0.596	0.83
153_L	191_Y	0.595	0.83
225_A	229_A	0.588	0.82
239_I	282_M	0.587	0.82
197_V	207_A	0.586	0.82
34_S	41_L	0.585	0.82
154_N	158_I	0.584	0.81
31_V	235_G	0.582	0.81
77_L	90_V	0.580	0.81
83_D	86_C	0.580	0.81
38_Q	42_M	0.576	0.81
49_G	244_V	0.576	0.81
286_P	289_A	0.576	0.81
214_A	220_A	0.576	0.81
169_F	193_R	0.576	0.81
64_A	67_G	0.575	0.80
90_V	112_F	0.575	0.80
193_R	233_F	0.572	0.80
181_T	229_A	0.572	0.80
102_D	106_V	0.571	0.80
74_S	108_S	0.570	0.80
106_V	115_V	0.567	0.80
217_D	223_A	0.567	0.80
240_H	282_M	0.566	0.79
182_R	188_E	0.563	0.79
249_D	252_T	0.563	0.79
92_V	100_G	0.562	0.79
59_D	173_D	0.561	0.79
170_G	173_D	0.558	0.78
66_K	70_R	0.557	0.78
130_D	142_V	0.554	0.78
212_H	221_V	0.553	0.78
77_L	110_G	0.552	0.78
116_V	145_L	0.551	0.78
159_A	199_A	0.547	0.77
274_G	284_D	0.547	0.77
116_V	143_L	0.546	0.77
151_G	154_N	0.544	0.77
114_S	166_A	0.543	0.77
128_T	132_L	0.542	0.76
42_M	82_F	0.540	0.76
30_S	238_A	0.540	0.76
96_G	100_G	0.539	0.76
189_V	233_F	0.538	0.76
117_V	142_V	0.538	0.76
211_V	224_D	0.536	0.76
145_L	237_L	0.535	0.76
33_F	116_V	0.535	0.76
225_A	228_A	0.533	0.75
65_R	72_A	0.533	0.75
46_P	80_A	0.533	0.75
67_G	98_G	0.532	0.75
78_T	82_F	0.532	0.75
211_V	287_L	0.531	0.75
99_A	132_L	0.528	0.75
199_A	203_A	0.527	0.74
103_V	108_S	0.525	0.74
101_D	105_A	0.525	0.74
36_G	42_M	0.524	0.74
112_F	140_S	0.524	0.74
119_K	148_S	0.523	0.74
82_F	87_E	0.523	0.74
293_R	296_R	0.522	0.74
172_E	176_A	0.521	0.74
89_C	143_L	0.521	0.74
30_S	50_A	0.521	0.74
166_A	172_E	0.520	0.73
108_S	140_S	0.520	0.73
104_D	107_L	0.517	0.73
265_L	268_A	0.517	0.73
255_E	262_T	0.515	0.73
257_D	260_W	0.514	0.73
180_A	197_V	0.514	0.73
36_G	74_S	0.513	0.73
226_R	250_A	0.511	0.72
95_V	125_D	0.510	0.72
195_R	199_A	0.509	0.72
133_L	137_D	0.508	0.72
143_L	165_D	0.508	0.72
276_F	288_I	0.508	0.72
131_S	270_D	0.508	0.72
267_A	278_V	0.507	0.72
70_R	97_S	0.507	0.72
62_A	275_V	0.506	0.71
218_P	243_Q	0.505	0.71
265_L	288_I	0.504	0.71
229_A	297_R	0.504	0.71
34_S	146_V	0.504	0.71
260_W	290_Q	0.503	0.71
94_P	99_A	0.502	0.71
167_L	205_V	0.502	0.71
64_A	272_D	0.501	0.71
152_V	196_V	0.500	0.71

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
1sgjA	3	0.7459	100	0.28	Contact Map
4l80A	5	0.9901	100	0.282	Contact Map
1u5hA	3	0.7162	100	0.291	Contact Map
3qqwA	3	0.8515	100	0.294	Contact Map
4l9zA	5	0.9373	100	0.297	Contact Map
4roqA	5	0.9472	100	0.297	Contact Map
3oyzA	5	0.9109	100	0.302	Contact Map
3qllA	3	0.6997	100	0.304	Contact Map
3r4iA	5	0.9142	100	0.309	Contact Map
3cuxA	1	0.9604	100	0.37	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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