Q9HQA1 - HALSA - GREMLIN Contacts

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Q9HQA1 - Riboflavin-specific deaminase

UniProt:	Q9HQA1	Sequences: MHVVVNAAMSADGKLSTRRREQVTLSGDADFERVDELRASVDAVMVGVGTVLADDPSLTLDDSGHVAAREERGESPHPARVVADSHARTPPDARLLDGAAETYVLVAEAEPVEHRESLEAAGATVVVAGENRVDLPSALDALESRGVDRLMVEGGGELIFSLFAEELVDELSVFVAPQLIGGRDAPTLADGDGFVAEFPTFELTGVDRLDDGVLLAYDCR	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	220 (205)
Sequences:	4649 (3719)
Seq/√Len:	259.8

ECOLI - RIBD
BACSU - RIBD
HALSA - Q9HQA1
SULSO - RIB7

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
105_L	138_A	3.587	1.00
4_V	41_V	3.418	1.00
124_T	145_R	3.321	1.00
152_V	162_L	2.877	1.00
141_A	145_R	2.654	1.00
55_D	94_R	2.488	1.00
105_L	141_A	2.442	1.00
43_A	81_V	2.429	1.00
141_A	144_S	2.396	1.00
48_V	52_L	2.345	1.00
33_R	174_F	2.325	1.00
49_G	53_A	2.223	1.00
79_A	103_Y	2.211	1.00
3_V	139_L	2.206	1.00
5_V	159_I	2.160	1.00
178_Q	200_T	2.127	1.00
83_A	158_L	2.112	1.00
57_S	94_R	2.026	1.00
52_L	88_R	2.025	1.00
172_S	214_L	2.006	1.00
46_V	154_G	1.976	1.00
135_L	167_L	1.955	1.00
79_A	147_V	1.945	1.00
27_G	211_D	1.908	1.00
162_L	167_L	1.882	1.00
115_R	127_V	1.841	1.00
9_M	175_V	1.823	1.00
46_V	51_V	1.820	1.00
15_L	156_G	1.811	1.00
5_V	168_V	1.778	1.00
37_L	151_M	1.774	1.00
139_L	162_L	1.740	1.00
10_S	180_I	1.729	1.00
178_Q	198_F	1.720	1.00
205_G	216_A	1.710	1.00
45_M	162_L	1.658	1.00
170_E	216_A	1.654	1.00
115_R	119_E	1.588	1.00
101_E	124_T	1.584	1.00
174_F	214_L	1.578	1.00
12_D	181_G	1.564	1.00
84_D	88_R	1.551	1.00
7_A	159_I	1.549	1.00
52_L	90_P	1.548	1.00
87_A	106_V	1.515	1.00
48_V	89_T	1.514	1.00
45_M	158_L	1.500	1.00
37_L	172_S	1.498	1.00
51_V	95_L	1.497	1.00
33_R	214_L	1.483	1.00
48_V	88_R	1.477	1.00
2_H	170_E	1.465	1.00
39_A	60_L	1.445	1.00
42_D	148_D	1.433	1.00
135_L	162_L	1.431	1.00
4_V	172_S	1.417	1.00
43_A	150_L	1.411	1.00
203_L	215_L	1.409	1.00
27_G	212_G	1.397	1.00
137_S	141_A	1.378	1.00
29_A	210_D	1.375	1.00
24_T	31_F	1.366	1.00
7_A	173_V	1.356	1.00
82_V	95_L	1.349	1.00
106_V	125_V	1.334	1.00
27_G	30_D	1.329	1.00
81_V	142_L	1.326	1.00
83_A	138_A	1.310	1.00
175_V	215_L	1.310	1.00
91_P	117_S	1.279	1.00
126_V	141_A	1.275	1.00
41_V	149_R	1.244	1.00
105_L	126_V	1.244	1.00
21_E	195_V	1.229	1.00
95_L	102_T	1.214	1.00
43_A	147_V	1.200	1.00
9_M	173_V	1.194	1.00
45_M	83_A	1.193	1.00
85_S	107_A	1.192	1.00
10_S	178_Q	1.182	1.00
147_V	150_L	1.168	1.00
208_R	211_D	1.160	1.00
116_E	120_A	1.153	1.00
26_S	30_D	1.150	1.00
206_V	213_V	1.140	1.00
180_I	195_V	1.138	1.00
10_S	25_L	1.124	1.00
21_E	196_A	1.091	1.00
166_E	199_P	1.071	1.00
30_D	174_F	1.070	1.00
5_V	163_F	1.066	1.00
140_D	144_S	1.059	1.00
82_V	89_T	1.053	1.00
48_V	96_L	1.046	1.00
134_D	137_S	1.046	1.00
5_V	152_V	1.044	1.00
116_E	119_E	1.041	1.00
136_P	165_E	1.040	1.00
160_F	164_A	1.032	1.00
52_L	84_D	1.029	1.00
89_T	104_V	1.028	1.00
152_V	158_L	1.024	1.00
143_E	148_D	1.011	1.00
25_L	176_A	1.007	1.00
9_M	188_L	1.000	1.00
51_V	89_T	0.998	1.00
124_T	127_V	0.991	1.00
48_V	85_S	0.989	1.00
135_L	139_L	0.981	1.00
45_M	147_V	0.978	1.00
156_G	190_D	0.971	1.00
87_A	110_E	0.967	1.00
159_I	168_V	0.958	1.00
135_L	165_E	0.957	1.00
107_A	133_V	0.955	1.00
109_A	127_V	0.955	1.00
85_S	133_V	0.952	1.00
51_V	93_A	0.944	1.00
38_R	153_E	0.940	1.00
90_P	93_A	0.925	1.00
107_A	110_E	0.923	1.00
33_R	36_E	0.919	1.00
59_T	100_A	0.917	1.00
208_R	213_V	0.910	1.00
48_V	84_D	0.909	1.00
137_S	140_D	0.905	1.00
80_R	102_T	0.899	1.00
4_V	170_E	0.896	1.00
93_A	96_L	0.892	1.00
33_R	207_D	0.891	1.00
36_E	40_S	0.879	1.00
135_L	138_A	0.875	1.00
28_D	32_E	0.874	1.00
6_N	30_D	0.870	1.00
133_V	138_A	0.868	1.00
103_Y	126_V	0.867	1.00
85_S	132_R	0.867	1.00
207_D	216_A	0.866	1.00
4_V	149_R	0.863	1.00
89_T	96_L	0.855	1.00
103_Y	145_R	0.848	0.99
46_V	82_V	0.847	0.99
87_A	114_H	0.841	0.99
45_M	150_L	0.841	0.99
96_L	123_A	0.834	0.99
3_V	152_V	0.833	0.99
163_F	168_V	0.823	0.99
41_V	151_M	0.822	0.99
30_D	212_G	0.817	0.99
106_V	127_V	0.815	0.99
128_A	133_V	0.814	0.99
33_R	172_S	0.812	0.99
179_L	201_F	0.811	0.99
33_R	37_L	0.807	0.99
6_N	34_V	0.804	0.99
60_L	77_H	0.800	0.99
94_R	97_D	0.798	0.99
158_L	162_L	0.795	0.99
47_G	154_G	0.795	0.99
108_E	127_V	0.793	0.99
42_D	149_R	0.788	0.99
157_E	161_S	0.782	0.99
204_T	216_A	0.782	0.99
136_P	140_D	0.776	0.99
114_H	117_S	0.769	0.99
129_G	134_D	0.763	0.99
17_T	180_I	0.762	0.99
6_N	174_F	0.761	0.99
4_V	37_L	0.760	0.99
103_Y	106_V	0.759	0.99
14_K	183_R	0.754	0.99
209_L	214_L	0.754	0.99
43_A	79_A	0.752	0.99
103_Y	124_T	0.744	0.99
139_L	150_L	0.743	0.99
17_T	21_E	0.735	0.99
84_D	87_A	0.734	0.98
203_L	206_V	0.734	0.98
29_A	211_D	0.734	0.98
203_L	213_V	0.731	0.98
201_F	215_L	0.730	0.98
14_K	186_P	0.728	0.98
114_H	118_L	0.724	0.98
119_E	122_G	0.722	0.98
187_T	190_D	0.718	0.98
25_L	195_V	0.718	0.98
80_R	100_A	0.712	0.98
154_G	159_I	0.710	0.98
49_G	88_R	0.709	0.98
22_Q	31_F	0.708	0.98
158_L	161_S	0.705	0.98
97_D	100_A	0.703	0.98
128_A	137_S	0.701	0.98
10_S	17_T	0.697	0.98
134_D	165_E	0.694	0.98
176_A	212_G	0.686	0.98
4_V	151_M	0.684	0.98
55_D	93_A	0.683	0.98
81_V	105_L	0.682	0.98
118_L	123_A	0.678	0.97
206_V	215_L	0.677	0.97
175_V	213_V	0.677	0.97
83_A	105_L	0.671	0.97
118_L	122_G	0.670	0.97
161_S	165_E	0.665	0.97
135_L	158_L	0.662	0.97
35_D	60_L	0.662	0.97
140_D	143_E	0.661	0.97
8_A	26_S	0.660	0.97
14_K	184_D	0.658	0.97
195_V	198_F	0.657	0.97
126_V	145_R	0.656	0.97
183_R	186_P	0.653	0.97
171_L	179_L	0.652	0.97
115_R	118_L	0.650	0.97
32_E	36_E	0.650	0.97
182_G	189_A	0.649	0.97
79_A	101_E	0.649	0.97
6_N	26_S	0.647	0.97
89_T	95_L	0.643	0.97
33_R	209_L	0.636	0.96
46_V	56_P	0.634	0.96
119_E	124_T	0.634	0.96
170_E	203_L	0.631	0.96
54_D	58_L	0.630	0.96
34_V	151_M	0.630	0.96
7_A	171_L	0.628	0.96
30_D	209_L	0.628	0.96
45_M	152_V	0.626	0.96
11_A	175_V	0.622	0.96
46_V	58_L	0.621	0.96
21_E	25_L	0.618	0.96
172_S	216_A	0.614	0.96
16_S	20_R	0.614	0.96
26_S	34_V	0.613	0.95
59_T	80_R	0.612	0.95
37_L	174_F	0.610	0.95
105_L	133_V	0.609	0.95
200_T	211_D	0.606	0.95
97_D	121_A	0.606	0.95
37_L	41_V	0.605	0.95
45_M	139_L	0.605	0.95
29_A	32_E	0.604	0.95
101_E	145_R	0.603	0.95
157_E	183_R	0.602	0.95
14_K	187_T	0.601	0.95
182_G	186_P	0.600	0.95
44_V	77_H	0.599	0.95
57_S	98_G	0.599	0.95
50_T	154_G	0.599	0.95
73_G	77_H	0.599	0.95
31_F	174_F	0.597	0.95
128_A	141_A	0.596	0.95
51_V	82_V	0.594	0.95
89_T	118_L	0.592	0.95
26_S	31_F	0.591	0.95
83_A	162_L	0.590	0.94
132_R	157_E	0.588	0.94
163_F	171_L	0.588	0.94
87_A	104_V	0.587	0.94
106_V	110_E	0.582	0.94
45_M	81_V	0.580	0.94
30_D	33_R	0.579	0.94
14_K	182_G	0.578	0.94
152_V	159_I	0.577	0.94
52_L	89_T	0.576	0.94
55_D	92_D	0.576	0.94
119_E	125_V	0.576	0.94
162_L	168_V	0.574	0.94
40_S	149_R	0.571	0.93
110_E	115_R	0.571	0.93
83_A	135_L	0.569	0.93
96_L	118_L	0.568	0.93
135_L	161_S	0.566	0.93
202_E	211_D	0.561	0.93
49_G	157_E	0.561	0.93
38_R	54_D	0.559	0.93
182_G	187_T	0.557	0.93
16_S	24_T	0.557	0.93
48_V	93_A	0.555	0.92
49_G	52_L	0.554	0.92
54_D	80_R	0.554	0.92
96_L	121_A	0.552	0.92
168_V	171_L	0.548	0.92
205_G	208_R	0.539	0.91
104_V	118_L	0.538	0.91
89_T	93_A	0.533	0.91
7_A	15_L	0.532	0.91
189_A	192_D	0.532	0.91
187_T	191_G	0.531	0.91
37_L	40_S	0.529	0.91
115_R	125_V	0.528	0.91
39_A	76_P	0.526	0.90
41_V	172_S	0.525	0.90
77_H	98_G	0.524	0.90
96_L	102_T	0.524	0.90
111_P	115_R	0.524	0.90
60_L	78_P	0.522	0.90
183_R	192_D	0.522	0.90
34_V	195_V	0.522	0.90
128_A	138_A	0.510	0.89
7_A	188_L	0.508	0.89
89_T	114_H	0.504	0.88
11_A	201_F	0.502	0.88
17_T	22_Q	0.501	0.88
86_H	109_A	0.500	0.88
207_D	214_L	0.500	0.88
54_D	153_E	0.500	0.88

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
2b3zA	3	0.9591	100	0.234	Contact Map
2aznA	2	0.9545	100	0.242	Contact Map
2g6vA	2	0.9727	100	0.256	Contact Map
2p4gA	2	0.9864	100	0.261	Contact Map
4ha7A	2	0.85	100	0.293	Contact Map
3zpgA	2	0.9182	100	0.309	Contact Map
2hxvA	2	0.8864	100	0.334	Contact Map
2gd9A	2	0.7545	100	0.484	Contact Map
3jtwA	2	0.7773	100	0.504	Contact Map
1cz3A	2	0.7364	100	0.515	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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