Q97YZ1 - SULSO - GREMLIN Contacts

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Q97YZ1 - Haloacetate dehalogenase

UniProt:	Q97YZ1	Sequences: MGKEKKILAFDLYGTILDLSAISQEMRRKQLEYTWLLTIMGRYVDFDEITKIAISYTLGEDKIEEELNKWRSLRTHQDAIYLKDISTIADIYILSNGTTKTIEELLKLNGLSSYFKGIFSAERVKEYKPSPKVYRYFLEAVKGEAYLVSSNPFDVIGAKNSGMKGIYVNRRNMPVDPLGYEPDVVVRDFKELYEWLQK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	198 (187)
Sequences:	27165 (21517)
Seq/√Len:	1573.4

ECOLI - YIEH YIGB YFBT YNIC YQAB GPH YJJG YRFG PGMB YIHX
BACSU - YSAA YFNB PPAX YHCW PGMB
HALSA - Q9HP74 Q9HSS2 Q9HQE2 Q9HMC4
SULSO - Q97YZ1 Q97ZU6 Q7LX46 Q7LXL6 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
6_K	144_E	4.164	1.00
107_K	112_S	3.024	1.00
136_Y	140_A	2.797	1.00
126_E	130_S	2.759	1.00
158_A	165_G	2.594	1.00
99_T	103_E	2.405	1.00
83_K	114_Y	2.402	1.00
149_S	154_D	2.314	1.00
80_I	83_K	2.313	1.00
90_D	116_K	2.268	1.00
5_K	164_K	2.266	1.00
136_Y	139_E	2.214	1.00
99_T	123_R	2.211	1.00
92_Y	117_G	2.185	1.00
94_L	133_V	2.063	1.00
95_S	102_I	2.060	1.00
126_E	132_K	2.029	1.00
138_L	145_A	2.007	1.00
159_K	183_D	1.992	1.00
187_R	191_E	1.947	1.00
117_G	140_A	1.941	1.00
10_F	91_I	1.897	1.00
155_V	165_G	1.876	1.00
156_I	160_N	1.806	1.00
63_I	67_L	1.804	1.00
8_L	89_A	1.792	1.00
86_S	114_Y	1.721	1.00
138_L	163_M	1.713	1.00
86_S	116_K	1.697	1.00
164_K	183_D	1.651	1.00
146_Y	166_I	1.645	1.00
79_A	189_F	1.628	1.00
147_L	158_A	1.625	1.00
103_E	112_S	1.616	1.00
91_I	115_F	1.596	1.00
84_D	88_I	1.565	1.00
9_A	147_L	1.564	1.00
138_L	142_K	1.562	1.00
9_A	94_L	1.531	1.00
9_A	137_F	1.517	1.00
169_N	187_R	1.503	1.00
7_I	141_V	1.484	1.00
62_K	66_E	1.469	1.00
5_K	146_Y	1.463	1.00
8_L	148_V	1.462	1.00
169_N	185_V	1.336	1.00
76_H	170_R	1.332	1.00
8_L	85_I	1.332	1.00
166_I	186_V	1.314	1.00
81_Y	189_F	1.303	1.00
61_D	65_E	1.290	1.00
92_Y	141_V	1.288	1.00
65_E	69_K	1.278	1.00
62_K	65_E	1.265	1.00
84_D	87_T	1.255	1.00
16_I	79_A	1.239	1.00
15_T	148_V	1.232	1.00
29_K	33_Y	1.229	1.00
7_I	145_A	1.228	1.00
166_I	184_V	1.226	1.00
12_L	17_L	1.225	1.00
152_P	156_I	1.220	1.00
103_E	107_K	1.218	1.00
75_T	111_L	1.215	1.00
12_L	93_I	1.214	1.00
66_E	70_W	1.204	1.00
12_L	102_I	1.201	1.00
119_F	140_A	1.200	1.00
49_I	53_A	1.192	1.00
153_F	156_I	1.187	1.00
188_D	191_E	1.183	1.00
134_Y	147_L	1.176	1.00
134_Y	157_G	1.168	1.00
30_Q	34_T	1.153	1.00
102_I	120_S	1.145	1.00
131_P	135_R	1.134	1.00
64_E	68_N	1.106	1.00
65_E	68_N	1.101	1.00
9_A	145_A	1.084	1.00
119_F	137_F	1.080	1.00
48_E	52_I	1.059	1.00
13_Y	19_L	1.040	1.00
145_A	163_M	1.040	1.00
86_S	91_I	1.029	1.00
94_L	137_F	1.015	1.00
7_I	90_D	1.004	1.00
99_T	120_S	0.997	1.00
45_D	48_E	0.996	1.00
23_S	27_R	0.990	1.00
82_L	115_F	0.990	1.00
137_F	141_V	0.981	1.00
63_I	66_E	0.980	1.00
12_L	97_G	0.979	1.00
25_E	29_K	0.976	1.00
134_Y	163_M	0.975	1.00
83_K	87_T	0.973	1.00
63_I	70_W	0.972	1.00
117_G	141_V	0.970	1.00
132_K	136_Y	0.968	1.00
135_R	139_E	0.966	1.00
159_K	165_G	0.961	1.00
80_I	114_Y	0.954	1.00
66_E	69_K	0.951	1.00
110_G	113_S	0.949	1.00
33_Y	65_E	0.946	1.00
26_M	30_Q	0.943	1.00
147_L	163_M	0.941	1.00
93_I	115_F	0.940	1.00
52_I	55_S	0.937	1.00
52_I	56_Y	0.933	1.00
78_D	188_D	0.925	1.00
134_Y	149_S	0.923	1.00
104_E	108_L	0.913	1.00
135_R	161_S	0.904	1.00
7_I	92_Y	0.904	1.00
25_E	28_R	0.900	1.00
25_E	72_S	0.895	1.00
29_K	69_K	0.895	1.00
155_V	182_P	0.894	1.00
124_V	136_Y	0.893	1.00
83_K	113_S	0.892	1.00
29_K	32_E	0.891	1.00
75_T	80_I	0.883	1.00
28_R	32_E	0.874	1.00
99_T	122_E	0.863	1.00
50_T	54_I	0.859	1.00
125_K	132_K	0.857	1.00
43_Y	47_D	0.856	1.00
56_Y	60_E	0.855	1.00
9_A	141_V	0.852	1.00
56_Y	59_G	0.851	1.00
165_G	183_D	0.848	1.00
55_S	59_G	0.848	1.00
142_K	163_M	0.848	1.00
135_R	142_K	0.846	1.00
104_E	107_K	0.844	1.00
85_I	89_A	0.839	1.00
132_K	135_R	0.838	1.00
47_D	53_A	0.837	1.00
119_F	136_Y	0.835	1.00
47_D	51_K	0.835	1.00
159_K	181_E	0.831	1.00
49_I	57_T	0.830	1.00
13_Y	97_G	0.827	1.00
102_I	105_L	0.821	1.00
164_K	184_V	0.821	1.00
82_L	114_Y	0.820	1.00
31_L	36_L	0.820	1.00
186_V	192_L	0.818	1.00
92_Y	137_F	0.813	1.00
148_V	166_I	0.811	1.00
146_Y	164_K	0.807	1.00
95_S	120_S	0.806	1.00
62_K	69_K	0.804	1.00
167_Y	185_V	0.803	1.00
12_L	105_L	0.802	1.00
24_Q	28_R	0.798	1.00
54_I	58_L	0.793	1.00
50_T	53_A	0.788	1.00
5_K	89_A	0.784	1.00
9_A	163_M	0.782	1.00
62_K	67_L	0.780	1.00
157_G	161_S	0.779	1.00
37_L	40_M	0.777	1.00
53_A	56_Y	0.776	1.00
13_Y	95_S	0.775	1.00
85_I	91_I	0.773	1.00
80_I	110_G	0.771	1.00
47_D	50_T	0.768	1.00
51_K	55_S	0.766	1.00
91_I	114_Y	0.760	1.00
120_S	123_R	0.745	1.00
142_K	145_A	0.745	1.00
155_V	167_Y	0.739	1.00
64_E	67_L	0.734	1.00
45_D	49_I	0.734	1.00
32_E	38_T	0.733	1.00
48_E	53_A	0.732	1.00
97_G	102_I	0.729	1.00
17_L	105_L	0.726	1.00
148_V	192_L	0.725	1.00
8_L	146_Y	0.724	1.00
5_K	144_E	0.721	1.00
166_I	192_L	0.721	1.00
96_N	127_Y	0.720	1.00
76_H	79_A	0.719	1.00
117_G	137_F	0.715	1.00
134_Y	154_D	0.715	1.00
106_L	112_S	0.713	1.00
67_L	70_W	0.703	1.00
54_I	57_T	0.703	1.00
6_K	89_A	0.703	1.00
17_L	109_N	0.701	1.00
170_R	189_F	0.696	1.00
53_A	57_T	0.692	1.00
76_H	168_V	0.691	1.00
123_R	140_A	0.690	1.00
22_I	73_L	0.688	1.00
50_T	58_L	0.688	1.00
168_V	189_F	0.688	1.00
133_V	137_F	0.687	1.00
21_A	74_R	0.684	1.00
14_G	20_S	0.683	1.00
33_Y	62_K	0.680	1.00
78_D	190_K	0.676	1.00
6_K	90_D	0.675	1.00
23_S	26_M	0.673	1.00
175_V	187_R	0.672	1.00
80_I	113_S	0.671	1.00
13_Y	150_S	0.668	1.00
78_D	170_R	0.660	1.00
61_D	64_E	0.658	1.00
119_F	133_V	0.656	1.00
45_D	53_A	0.655	1.00
43_Y	49_I	0.646	1.00
42_R	45_D	0.645	1.00
103_E	118_I	0.638	1.00
38_T	41_G	0.637	1.00
46_F	49_I	0.637	1.00
42_R	47_D	0.636	1.00
18_D	21_A	0.635	1.00
9_A	92_Y	0.633	1.00
79_A	82_L	0.633	1.00
13_Y	105_L	0.628	1.00
32_E	37_L	0.622	1.00
43_Y	46_F	0.620	1.00
48_E	55_S	0.618	1.00
133_V	157_G	0.614	1.00
91_I	116_K	0.614	1.00
156_I	159_K	0.613	1.00
131_P	160_N	0.613	1.00
78_D	81_Y	0.609	1.00
81_Y	148_V	0.606	1.00
135_R	138_L	0.606	1.00
28_R	39_I	0.606	1.00
186_V	189_F	0.604	1.00
49_I	54_I	0.603	1.00
44_V	47_D	0.602	1.00
75_T	109_N	0.600	1.00
33_Y	69_K	0.600	1.00
62_K	70_W	0.598	1.00
18_D	74_R	0.596	1.00
102_I	118_I	0.592	1.00
53_A	58_L	0.592	1.00
147_L	157_G	0.590	1.00
124_V	133_V	0.588	1.00
96_N	129_P	0.584	1.00
86_S	113_S	0.576	1.00
10_F	81_Y	0.575	1.00
176_D	179_G	0.574	1.00
17_L	73_L	0.570	1.00
134_Y	158_A	0.560	1.00
48_E	56_Y	0.559	1.00
46_F	50_T	0.559	1.00
173_M	176_D	0.557	1.00
147_L	154_D	0.555	1.00
83_K	86_S	0.543	1.00
115_F	118_I	0.541	1.00
121_A	133_V	0.540	1.00
15_T	168_V	0.540	1.00
107_K	113_S	0.539	1.00
97_G	149_S	0.537	1.00
81_Y	186_V	0.532	1.00
47_D	52_I	0.530	1.00
42_R	50_T	0.528	1.00
138_L	161_S	0.527	1.00
19_L	97_G	0.525	1.00
94_L	119_F	0.525	1.00
77_Q	190_K	0.525	1.00
94_L	147_L	0.524	1.00
30_Q	33_Y	0.523	1.00
42_R	53_A	0.521	1.00
169_N	174_P	0.518	1.00
15_T	154_D	0.514	1.00
119_F	141_V	0.511	1.00
53_A	59_G	0.509	1.00
81_Y	84_D	0.508	1.00
23_S	97_G	0.507	1.00
97_G	101_T	0.503	1.00
47_D	54_I	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
2w43A	2	0.9747	100	0.33	Contact Map
3umbA	2	0.9848	100	0.344	Contact Map
3ed5A	1	0.9899	100	0.351	Contact Map
4uw9A	1	0.9141	100	0.351	Contact Map
3umgA	2	0.9899	100	0.352	Contact Map
3iruA	4	1	100	0.354	Contact Map
1swvA	2	0.9848	100	0.356	Contact Map
3sd7A	1	0.9899	100	0.357	Contact Map
4eekA	2	0.9899	100	0.357	Contact Map
2ymmA	2	0.9949	100	0.357	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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