Q9HHU2 - HALSA - GREMLIN Contacts

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Q9HHU2 - Vng6225c

UniProt:	Q9HHU2	Sequences: MITAVVYAESGGTFKTTMTANLAVALSRMDLDVLVLDLDPQTGNLTSLFDVGEDRSDPNADNLVKHILEMPDGDFASLIETSPEGVDIVPSHDMLSDFTSNLEQKITYETGVKDVSREEYPRYELLYRLLWEREQVNEQYDVVLIDPNARAEDLLYNAMYALRTLVAPVKPAGKGSLSLDGLEEMVGNMETELDIGVGLSCVVPCGVGQTNAHKQYRDRFETTDAFATPVSIGSRESLMDAMWEAHGSAFKVIEERWKTYEGDDGMVSERGKRRVPDRELETLETIWRLAGFIATDTFDATVPEELVLDIVDDGTETLQMAGNGHPEVAD	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	330 (249)
Sequences:	4948 (3170)
Seq/√Len:	200.9

ECOLI - BCSQ MIND MRP
BACSU - SOJ YLXH MIND SALA YVEL YWQD
HALSA - Q9HHU2 Q9HHZ7 Q9HNF1 O51991 O51969 Q9HQY5 O54573 Q9HHL5 Q9HQJ7
SULSO - Q97ZW4 Q981B3 Q97VX7 Q97WA2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
87_D	140_Y	5.540	1.00
19_T	144_L	4.289	1.00
5_V	162_L	4.121	1.00
233_G	262_G	4.064	1.00
248_S	251_K	3.159	1.00
76_A	139_Q	2.901	1.00
26_L	142_V	2.879	1.00
20_A	45_L	2.779	1.00
29_M	268_S	2.741	1.00
35_V	45_L	2.680	1.00
81_T	87_D	2.612	1.00
204_P	217_R	2.442	1.00
25_A	267_V	2.374	1.00
6_V	22_L	2.363	1.00
18_M	263_D	2.356	1.00
31_L	142_V	2.304	1.00
170_K	206_G	2.291	1.00
19_T	35_V	2.274	1.00
18_M	203_V	2.146	1.00
23_A	35_V	2.139	1.00
48_L	174_K	2.097	1.00
206_G	234_S	2.018	1.00
164_T	200_S	1.982	1.00
75_F	89_V	1.965	1.00
6_V	166_V	1.955	1.00
22_L	267_V	1.851	1.00
38_L	63_L	1.836	1.00
34_L	140_Y	1.835	1.00
2_I	164_T	1.828	1.00
38_L	158_A	1.742	1.00
38_L	145_I	1.738	1.00
23_A	144_L	1.731	1.00
25_A	250_F	1.723	1.00
136_V	139_Q	1.718	1.00
230_V	269_E	1.708	1.00
23_A	45_L	1.687	1.00
121_P	128_R	1.684	1.00
218_D	222_T	1.673	1.00
99_T	152_E	1.667	1.00
32_D	141_D	1.621	1.00
27_S	86_V	1.619	1.00
26_L	144_L	1.614	1.00
22_L	270_R	1.611	1.00
203_V	266_M	1.597	1.00
256_R	259_T	1.590	1.00
28_R	264_D	1.585	1.00
194_D	197_V	1.535	1.00
208_G	234_S	1.525	1.00
18_M	205_C	1.521	1.00
66_H	78_L	1.510	1.00
171_P	204_P	1.506	1.00
137_N	163_R	1.487	1.00
31_L	141_D	1.487	1.00
36_L	130_L	1.476	1.00
49_F	86_V	1.476	1.00
5_V	147_P	1.469	1.00
147_P	158_A	1.451	1.00
6_V	19_T	1.443	1.00
14_F	205_C	1.443	1.00
44_N	174_K	1.431	1.00
237_S	240_D	1.429	1.00
20_A	48_L	1.423	1.00
172_A	175_G	1.409	1.00
122_R	125_L	1.404	1.00
163_R	196_G	1.403	1.00
43_G	92_H	1.389	1.00
43_G	91_S	1.387	1.00
217_R	231_S	1.379	1.00
165_L	186_V	1.375	1.00
62_N	65_K	1.346	1.00
124_E	127_Y	1.334	1.00
205_C	263_D	1.331	1.00
78_L	89_V	1.329	1.00
127_Y	131_W	1.321	1.00
74_D	77_S	1.320	1.00
51_V	88_I	1.316	1.00
124_E	128_R	1.299	1.00
217_R	221_E	1.298	1.00
4_A	164_T	1.289	1.00
66_H	129_L	1.285	1.00
4_A	270_R	1.284	1.00
229_P	269_E	1.282	1.00
83_P	86_V	1.279	1.00
73_G	78_L	1.272	1.00
3_T	145_I	1.263	1.00
166_V	203_V	1.258	1.00
160_Y	193_L	1.258	1.00
44_N	178_S	1.257	1.00
83_P	251_K	1.243	1.00
2_I	200_S	1.243	1.00
63_L	89_V	1.238	1.00
40_P	154_L	1.229	1.00
7_Y	182_L	1.194	1.00
210_T	213_H	1.191	1.00
200_S	274_R	1.190	1.00
93_D	181_G	1.186	1.00
235_R	258_K	1.186	1.00
79_I	136_V	1.179	1.00
18_M	22_L	1.171	1.00
73_G	77_S	1.165	1.00
219_R	222_T	1.160	1.00
29_M	264_D	1.153	1.00
47_S	177_L	1.143	1.00
247_G	251_K	1.133	1.00
35_V	49_F	1.131	1.00
79_I	140_Y	1.127	1.00
19_T	45_L	1.104	1.00
3_T	143_V	1.101	1.00
238_L	249_A	1.096	1.00
33_V	141_D	1.094	1.00
64_V	101_N	1.084	1.00
171_P	213_H	1.081	1.00
63_L	66_H	1.079	1.00
168_P	205_C	1.070	1.00
61_D	65_K	1.057	1.00
142_V	274_R	1.046	1.00
41_Q	149_A	1.035	1.00
61_D	77_S	1.026	1.00
266_M	270_R	1.021	1.00
201_C	228_T	1.021	1.00
261_E	264_D	1.016	1.00
79_I	87_D	1.016	1.00
131_W	135_Q	1.014	1.00
204_P	220_F	1.013	1.00
198_G	226_F	1.008	1.00
79_I	89_V	1.008	1.00
32_D	139_Q	1.004	1.00
100_S	103_E	1.002	1.00
3_T	137_N	1.001	1.00
27_S	85_G	1.000	1.00
200_S	228_T	0.999	1.00
121_P	124_E	0.997	1.00
69_E	73_G	0.996	1.00
8_A	178_S	0.984	1.00
254_E	259_T	0.983	1.00
131_W	137_N	0.983	1.00
27_S	83_P	0.982	1.00
30_D	85_G	0.975	1.00
269_E	273_R	0.958	0.99
172_A	239_M	0.955	0.99
38_L	154_L	0.947	0.99
236_E	240_D	0.931	0.99
21_N	250_F	0.931	0.99
247_G	252_V	0.930	0.99
6_V	18_M	0.926	0.99
125_L	129_L	0.918	0.99
20_A	174_K	0.914	0.99
9_E	185_M	0.913	0.99
22_L	266_M	0.910	0.99
136_V	140_Y	0.902	0.99
174_K	243_W	0.898	0.99
144_L	270_R	0.897	0.99
76_A	135_Q	0.897	0.99
3_T	162_L	0.894	0.99
263_D	266_M	0.881	0.99
66_H	89_V	0.881	0.99
187_G	190_E	0.867	0.99
207_V	231_S	0.863	0.99
28_R	251_K	0.863	0.99
3_T	130_L	0.855	0.99
64_V	68_L	0.855	0.99
62_N	92_H	0.854	0.99
184_E	187_G	0.848	0.99
124_E	160_Y	0.837	0.98
237_S	253_I	0.833	0.98
8_A	149_A	0.832	0.98
232_I	266_M	0.831	0.98
121_P	125_L	0.829	0.98
156_Y	185_M	0.829	0.98
16_T	45_L	0.827	0.98
257_W	261_E	0.826	0.98
240_D	252_V	0.826	0.98
29_M	271_G	0.822	0.98
228_T	270_R	0.815	0.98
77_S	81_T	0.814	0.98
221_E	231_S	0.811	0.98
2_I	274_R	0.808	0.98
44_N	177_L	0.808	0.98
19_T	23_A	0.806	0.98
23_A	86_V	0.805	0.98
170_K	175_G	0.805	0.98
21_N	24_V	0.803	0.98
221_E	229_P	0.802	0.98
13_T	175_G	0.801	0.98
36_L	89_V	0.801	0.98
211_N	214_K	0.801	0.98
26_L	33_V	0.792	0.98
164_T	274_R	0.790	0.98
30_D	254_E	0.786	0.98
235_R	256_R	0.785	0.98
98_F	102_L	0.785	0.98
210_T	236_E	0.783	0.98
261_E	265_G	0.778	0.98
255_E	261_E	0.777	0.98
158_A	162_L	0.776	0.98
61_D	78_L	0.776	0.98
207_V	217_R	0.775	0.98
171_P	207_V	0.772	0.97
172_A	234_S	0.771	0.97
7_Y	155_L	0.768	0.97
164_T	201_C	0.766	0.97
238_L	258_K	0.764	0.97
22_L	203_V	0.763	0.97
164_T	198_G	0.759	0.97
142_V	271_G	0.756	0.97
207_V	213_H	0.756	0.97
34_L	79_I	0.755	0.97
43_G	46_T	0.753	0.97
190_E	194_D	0.753	0.97
3_T	163_R	0.752	0.97
100_S	153_D	0.751	0.97
6_V	144_L	0.747	0.97
75_F	78_L	0.745	0.97
268_S	272_K	0.744	0.97
61_D	73_G	0.743	0.97
190_E	198_G	0.735	0.97
250_F	264_D	0.733	0.97
255_E	258_K	0.730	0.96
167_A	199_L	0.725	0.96
171_P	217_R	0.723	0.96
224_D	227_A	0.722	0.96
28_R	250_F	0.720	0.96
33_V	86_V	0.718	0.96
120_Y	124_E	0.717	0.96
20_A	35_V	0.715	0.96
24_V	250_F	0.714	0.96
45_L	49_F	0.713	0.96
253_I	256_R	0.708	0.96
228_T	269_E	0.706	0.96
38_L	126_L	0.700	0.95
200_S	270_R	0.700	0.95
137_N	143_V	0.686	0.95
26_L	267_V	0.681	0.95
179_L	202_V	0.680	0.95
122_R	126_L	0.680	0.95
24_V	28_R	0.676	0.95
47_S	173_G	0.676	0.95
122_R	129_L	0.675	0.95
105_K	125_L	0.674	0.94
169_V	179_L	0.669	0.94
97_D	188_N	0.658	0.94
31_L	271_G	0.656	0.94
74_D	135_Q	0.655	0.94
129_L	135_Q	0.654	0.94
204_P	207_V	0.653	0.94
67_I	98_F	0.651	0.93
46_T	90_P	0.650	0.93
151_A	155_L	0.647	0.93
63_L	129_L	0.641	0.93
169_V	220_F	0.640	0.93
44_N	47_S	0.637	0.93
222_T	225_A	0.635	0.93
57_D	61_D	0.634	0.92
149_A	178_S	0.634	0.92
262_G	265_G	0.632	0.92
137_N	142_V	0.632	0.92
41_Q	178_S	0.630	0.92
77_S	80_E	0.630	0.92
25_A	29_M	0.628	0.92
7_Y	159_M	0.627	0.92
203_V	228_T	0.627	0.92
212_A	240_D	0.626	0.92
31_L	274_R	0.624	0.92
5_V	158_A	0.624	0.92
9_E	150_R	0.623	0.92
249_A	259_T	0.622	0.92
166_V	200_S	0.622	0.92
239_M	243_W	0.620	0.92
32_D	87_D	0.620	0.92
64_V	67_I	0.620	0.92
52_G	55_R	0.615	0.91
204_P	227_A	0.614	0.91
180_D	184_E	0.612	0.91
266_M	269_E	0.612	0.91
32_D	85_G	0.611	0.91
91_S	95_L	0.611	0.91
25_A	249_A	0.611	0.91
21_N	248_S	0.610	0.91
218_D	221_E	0.609	0.91
245_A	252_V	0.605	0.91
36_L	145_I	0.603	0.91
229_P	272_K	0.602	0.90
25_A	248_S	0.600	0.90
4_A	142_V	0.600	0.90
44_N	149_A	0.598	0.90
103_E	153_D	0.596	0.90
215_Q	244_E	0.596	0.90
204_P	230_V	0.593	0.90
17_T	243_W	0.590	0.90
10_S	174_K	0.590	0.90
34_L	87_D	0.587	0.89
249_A	252_V	0.583	0.89
43_G	50_D	0.580	0.89
221_E	227_A	0.580	0.89
182_L	185_M	0.578	0.89
262_G	266_M	0.578	0.89
10_S	13_T	0.578	0.89
20_A	49_F	0.577	0.89
159_M	186_V	0.577	0.89
130_L	161_A	0.576	0.88
202_V	223_T	0.576	0.88
254_E	258_K	0.574	0.88
80_E	88_I	0.574	0.88
25_A	264_D	0.570	0.88
168_P	179_L	0.570	0.88
135_Q	138_E	0.570	0.88
15_K	149_A	0.570	0.88
131_W	261_E	0.568	0.88
9_E	151_A	0.568	0.88
152_E	155_L	0.568	0.88
13_T	206_G	0.567	0.88
223_T	226_F	0.565	0.87
46_T	88_I	0.564	0.87
18_M	266_M	0.564	0.87
170_K	239_M	0.559	0.87
159_M	197_V	0.559	0.87
182_L	186_V	0.559	0.87
264_D	268_S	0.558	0.87
159_M	165_L	0.558	0.87
7_Y	147_P	0.557	0.87
40_P	168_P	0.556	0.87
40_P	178_S	0.556	0.87
52_G	56_S	0.556	0.87
142_V	200_S	0.555	0.87
212_A	239_M	0.553	0.86
54_D	57_D	0.550	0.86
44_N	175_G	0.546	0.86
208_G	236_E	0.546	0.86
93_D	152_E	0.545	0.86
128_R	131_W	0.543	0.85
220_F	227_A	0.542	0.85
173_G	177_L	0.541	0.85
265_G	268_S	0.540	0.85
47_S	188_N	0.539	0.85
21_N	263_D	0.538	0.85
3_T	161_A	0.538	0.85
212_A	244_E	0.537	0.85
212_A	215_Q	0.535	0.85
188_N	192_E	0.534	0.84
75_F	129_L	0.534	0.84
173_G	244_E	0.533	0.84
258_K	262_G	0.533	0.84
175_G	178_S	0.531	0.84
152_E	181_G	0.530	0.84
82_S	251_K	0.530	0.84
21_N	241_A	0.528	0.84
40_P	150_R	0.527	0.84
158_A	161_A	0.526	0.84
15_K	39_D	0.523	0.83
102_L	105_K	0.523	0.83
213_H	236_E	0.523	0.83
75_F	136_V	0.522	0.83
44_N	212_A	0.521	0.83
10_S	15_K	0.521	0.83
120_Y	196_G	0.520	0.83
87_D	139_Q	0.519	0.83
81_T	85_G	0.519	0.83
94_M	97_D	0.516	0.82
8_A	171_P	0.516	0.82
65_K	69_E	0.515	0.82
51_V	80_E	0.513	0.82
214_K	218_D	0.513	0.82
230_V	266_M	0.512	0.82
17_T	241_A	0.510	0.82
36_L	143_V	0.510	0.82
220_F	223_T	0.504	0.81
35_V	144_L	0.504	0.81
254_E	261_E	0.503	0.81
83_P	248_S	0.501	0.80
176_S	216_Y	0.501	0.80
211_N	215_Q	0.501	0.80
89_V	136_V	0.501	0.80
24_V	251_K	0.501	0.80
14_F	18_M	0.500	0.80

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
4pfsA	1	0.7394	100	0.358	Contact Map
3pg5A	2	0.7364	100	0.363	Contact Map
1wcv1	2	0.7273	100	0.378	Contact Map
4rz3A	2	0.7182	100	0.39	Contact Map
3ez9A	2	0.6758	100	0.392	Contact Map
1g3qA	1	0.7121	100	0.393	Contact Map
2ozeA	2	0.7818	100	0.395	Contact Map
3ez2A	2	0.8	100	0.395	Contact Map
1hyqA	1	0.703	100	0.395	Contact Map
3ea0A	2	0.7121	100	0.405	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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