Q9HP28 - HALSA - GREMLIN Contacts

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Q9HP28 - Monooxygenase

UniProt:	Q9HP28	Sequences: MQRGWGSERLAPRLSPGRAGSVISNDTDTPSMRCEGARAPAFELPGVSDGTQTRLGLTDALADNRAVVLFFYPFDFSPVCATELCAIQNARWFDCTPGLAVWGISPDSTYAHEAFADEYALTFPLLSDHAGAIADAFGVLQASAEDHDRVPERAVFLIDADRVIRYAWASSDLSESPDLGAVKAAIDDLQPDTAGVAPRTISDAHDDGTTDG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	212 (169)
Sequences:	5541 (2971)
Seq/√Len:	228.6

ECOLI - AHPC TPX BCP DSBE
BACSU - AHPC YKUU TPX BCP YKUV RESA STOA
HALSA - Q9HP28 Q9HQE6 Q9HN00 Q9HRG4
SULSO - TDXH Q97VL0 Q97WP9 Q97WG5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
39_A	137_F	3.800	1.00
97_P	187_D	3.526	1.00
43_E	54_R	3.296	1.00
159_D	165_R	2.767	1.00
165_R	171_S	2.656	1.00
88_Q	122_T	2.606	1.00
43_E	56_G	2.553	1.00
91_R	95_C	2.553	1.00
65_R	100_A	2.546	1.00
44_L	126_L	2.523	1.00
45_P	54_R	2.485	1.00
99_L	186_I	2.288	1.00
38_R	163_V	2.288	1.00
93_F	96_T	2.167	1.00
95_C	100_A	2.112	1.00
75_D	112_H	2.096	1.00
132_A	136_A	2.060	1.00
90_A	180_G	2.049	1.00
56_G	59_D	2.045	1.00
41_A	58_T	2.044	1.00
103_G	125_L	1.942	1.00
187_D	205_H	1.941	1.00
76_F	114_A	1.922	1.00
41_A	56_G	1.873	1.00
90_A	93_F	1.864	1.00
204_A	207_D	1.861	1.00
166_Y	185_A	1.859	1.00
66_A	160_A	1.836	1.00
44_L	133_I	1.775	1.00
34_C	37_A	1.729	1.00
92_W	96_T	1.665	1.00
141_Q	152_E	1.629	1.00
159_D	163_V	1.620	1.00
68_V	157_L	1.614	1.00
67_V	102_W	1.586	1.00
86_A	89_N	1.558	1.00
45_P	109_T	1.512	1.00
165_R	193_T	1.505	1.00
91_R	122_T	1.504	1.00
33_R	164_I	1.493	1.00
133_I	137_F	1.485	1.00
92_W	95_C	1.461	1.00
60_A	102_W	1.420	1.00
113_E	117_D	1.417	1.00
49_D	53_T	1.397	1.00
114_A	117_D	1.355	1.00
106_P	134_A	1.343	1.00
181_A	184_A	1.324	1.00
85_C	89_N	1.313	1.00
60_A	67_V	1.290	1.00
111_A	114_A	1.288	1.00
131_G	140_L	1.282	1.00
71_F	104_I	1.257	1.00
86_A	202_S	1.249	1.00
106_P	151_P	1.239	1.00
68_V	99_L	1.227	1.00
42_F	137_F	1.226	1.00
161_D	193_T	1.224	1.00
131_G	135_D	1.199	1.00
66_A	99_L	1.199	1.00
93_F	183_K	1.184	1.00
109_T	112_H	1.171	1.00
94_D	183_K	1.161	1.00
92_W	122_T	1.142	1.00
84_L	115_F	1.135	1.00
174_S	188_D	1.127	1.00
41_A	57_L	1.124	1.00
157_L	166_Y	1.124	1.00
108_S	111_A	1.122	1.00
84_L	123_F	1.120	1.00
88_Q	91_R	1.112	1.00
39_A	133_I	1.106	1.00
158_I	164_I	1.091	1.00
93_F	187_D	1.076	1.00
164_I	167_A	1.067	1.00
135_D	142_A	1.061	1.00
39_A	57_L	1.056	1.00
108_S	112_H	1.055	1.00
150_V	172_D	1.054	1.00
106_P	129_H	1.053	1.00
49_D	55_L	1.020	1.00
154_A	169_A	1.015	1.00
134_A	140_L	1.008	1.00
87_I	101_V	0.987	1.00
177_P	181_A	0.987	1.00
87_I	182_V	0.979	1.00
168_W	185_A	0.975	1.00
155_V	182_V	0.966	1.00
68_V	155_V	0.965	1.00
86_A	201_I	0.963	1.00
141_Q	148_D	0.958	1.00
180_G	204_A	0.956	1.00
86_A	90_A	0.935	1.00
183_K	187_D	0.929	1.00
40_P	136_A	0.926	1.00
135_D	140_L	0.922	1.00
72_Y	103_G	0.922	1.00
39_A	42_F	0.921	1.00
39_A	158_I	0.921	1.00
139_V	156_F	0.912	1.00
67_V	100_A	0.907	0.99
84_L	121_L	0.893	0.99
157_L	182_V	0.892	0.99
93_F	97_P	0.891	0.99
91_R	101_V	0.877	0.99
109_T	127_S	0.876	0.99
63_D	162_R	0.863	0.99
152_E	172_D	0.860	0.99
191_P	209_T	0.856	0.99
45_P	52_Q	0.851	0.99
97_P	186_I	0.851	0.99
157_L	186_I	0.850	0.99
174_S	189_L	0.848	0.99
105_S	127_S	0.848	0.99
152_E	170_S	0.841	0.99
85_C	88_Q	0.832	0.99
184_A	188_D	0.831	0.99
34_C	138_G	0.831	0.99
39_A	164_I	0.817	0.99
45_P	129_H	0.815	0.99
132_A	135_D	0.814	0.99
197_A	209_T	0.809	0.99
55_L	60_A	0.806	0.99
84_L	103_G	0.794	0.99
90_A	179_L	0.793	0.99
49_D	52_Q	0.791	0.99
147_H	150_V	0.785	0.99
159_D	193_T	0.783	0.98
79_V	176_S	0.768	0.98
67_V	162_R	0.765	0.98
50_G	116_A	0.764	0.98
98_G	190_Q	0.760	0.98
141_Q	147_H	0.759	0.98
191_P	197_A	0.759	0.98
35_E	164_I	0.756	0.98
95_C	122_T	0.747	0.98
66_A	190_Q	0.747	0.98
64_N	162_R	0.743	0.98
70_F	103_G	0.743	0.98
70_F	155_V	0.735	0.98
58_T	63_D	0.727	0.98
165_R	189_L	0.727	0.98
115_F	119_Y	0.722	0.97
139_V	154_A	0.715	0.97
77_S	153_R	0.715	0.97
67_V	158_I	0.715	0.97
68_V	182_V	0.711	0.97
110_Y	114_A	0.708	0.97
91_R	100_A	0.707	0.97
113_E	116_A	0.707	0.97
187_D	204_A	0.705	0.97
74_F	150_V	0.704	0.97
168_W	182_V	0.704	0.97
112_H	125_L	0.701	0.97
116_A	125_L	0.701	0.97
105_S	112_H	0.701	0.97
33_R	37_A	0.699	0.97
74_F	108_S	0.696	0.97
33_R	40_P	0.695	0.97
69_L	137_F	0.694	0.97
52_Q	109_T	0.690	0.97
57_L	67_V	0.690	0.97
90_A	183_K	0.689	0.97
75_D	125_L	0.683	0.96
32_M	167_A	0.682	0.96
187_D	190_Q	0.681	0.96
60_A	69_L	0.678	0.96
103_G	121_L	0.677	0.96
87_I	179_L	0.675	0.96
69_L	158_I	0.672	0.96
57_L	137_F	0.669	0.96
116_A	120_A	0.663	0.96
131_G	134_A	0.662	0.96
190_Q	194_A	0.662	0.96
109_T	129_H	0.660	0.96
58_T	162_R	0.655	0.95
104_I	126_L	0.653	0.95
177_P	184_A	0.653	0.95
134_A	151_P	0.653	0.95
72_Y	75_D	0.642	0.95
157_L	185_A	0.640	0.95
68_V	186_I	0.640	0.95
106_P	131_G	0.638	0.95
155_V	202_S	0.635	0.95
70_F	83_E	0.635	0.95
198_P	210_T	0.634	0.95
166_Y	170_S	0.627	0.94
148_D	172_D	0.627	0.94
115_F	121_L	0.622	0.94
108_S	129_H	0.618	0.94
42_F	133_I	0.613	0.94
57_L	60_A	0.608	0.93
36_G	152_E	0.608	0.93
194_A	205_H	0.605	0.93
191_P	195_G	0.603	0.93
191_P	194_A	0.590	0.92
142_A	149_R	0.588	0.92
135_D	149_R	0.588	0.92
64_N	100_A	0.587	0.92
73_P	77_S	0.586	0.92
192_D	197_A	0.586	0.92
135_D	147_H	0.586	0.92
75_D	105_S	0.586	0.92
49_D	124_P	0.586	0.92
180_G	184_A	0.583	0.92
68_V	101_V	0.583	0.92
109_T	113_E	0.582	0.92
94_D	101_V	0.581	0.92
192_D	198_P	0.576	0.91
178_D	182_V	0.573	0.91
67_V	71_F	0.571	0.91
91_R	123_F	0.570	0.91
72_Y	80_C	0.570	0.91
114_A	118_E	0.569	0.91
174_S	199_R	0.566	0.91
156_F	164_I	0.565	0.91
204_A	208_G	0.563	0.90
81_A	119_Y	0.560	0.90
86_A	179_L	0.558	0.90
69_L	126_L	0.557	0.90
155_V	168_W	0.556	0.90
157_L	168_W	0.552	0.90
84_L	119_Y	0.550	0.89
205_H	208_G	0.547	0.89
83_E	155_V	0.546	0.89
49_D	126_L	0.545	0.89
60_A	100_A	0.545	0.89
75_D	115_F	0.541	0.89
154_A	167_A	0.537	0.88
63_D	100_A	0.536	0.88
141_Q	172_D	0.536	0.88
45_P	127_S	0.536	0.88
52_Q	113_E	0.533	0.88
71_F	139_V	0.532	0.88
83_E	170_S	0.532	0.88
178_D	202_S	0.527	0.87
74_F	107_D	0.527	0.87
189_L	193_T	0.523	0.87
73_P	115_F	0.521	0.87
94_D	186_I	0.521	0.87
140_L	200_T	0.519	0.87
141_Q	149_R	0.517	0.86
75_D	111_A	0.516	0.86
185_A	189_L	0.515	0.86
73_P	153_R	0.514	0.86
74_F	110_Y	0.514	0.86
80_C	153_R	0.513	0.86
97_P	183_K	0.512	0.86
84_L	88_Q	0.511	0.86
35_E	152_E	0.510	0.86
161_D	165_R	0.505	0.85
87_I	123_F	0.502	0.85
69_L	72_Y	0.501	0.85
71_F	137_F	0.500	0.84

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
2v2gA	2	0.8208	100	0.276	Contact Map
1xccA	2	0.8208	100	0.284	Contact Map
1prxA	2	0.8302	100	0.285	Contact Map
3a2vA	5	0.8302	100	0.3	Contact Map
3w6gA	6	0.7972	100	0.302	Contact Map
3tjjA	3	0.7547	100	0.335	Contact Map
2i81A	3	0.8019	100	0.359	Contact Map
2pn8A	4	0.816	100	0.36	Contact Map
4rqxA	3	0.75	100	0.364	Contact Map
3zl5A	3	0.7406	100	0.364	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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