Q97VQ3 - SULSO - GREMLIN Contacts

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Q97VQ3 - Nitroreductase, bluB homolog, putative

UniProt:	Q97VQ3	Sequences: MDVYEAIRKRRDIRSYYKPDPIPDEVLAKILSAAHMAPSVGYSQPWNFIIIRDDEIRKKIKQVVEEERKRFESVLDEERKLIFSKIKVEAILDTPVNMAVTYDPNRFGPNILGRSTMPETSLYSTVLAIGNLWLAATAEGIGVGFVSFFNKEKVKEILNIPKEIELVSYLTLGYVREFPKIPELEEKGWNRRLMLSDLVFEDIFGKKTNNNFRLLLDRTFEEIFNNF	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	227 (171)
Sequences:	8309 (5744)
Seq/√Len:	439.3

ECOLI - NFSA YDJA RUTE NFNB
BACSU - NFRA1 NFRA2 YDGI YODC YFHC MHQN YFKO
HALSA - Q9HQZ4
SULSO - Q97VQ3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
29_K	139_E	3.688	1.00
23_P	26_V	3.290	1.00
24_D	52_R	2.737	1.00
24_D	28_A	2.633	1.00
48_F	128_A	2.418	1.00
47_N	200_F	2.375	1.00
141_I	174_Y	2.271	1.00
133_W	143_V	2.179	1.00
142_G	175_V	2.143	1.00
32_S	35_H	2.094	1.00
30_I	136_A	2.073	1.00
26_V	139_E	2.014	1.00
101_T	164_I	1.962	1.00
9_K	137_T	1.931	1.00
5_E	9_K	1.882	1.00
33_A	135_A	1.857	1.00
26_V	141_I	1.843	1.00
59_K	157_I	1.809	1.00
18_K	176_R	1.784	1.00
54_D	58_K	1.725	1.00
34_A	132_L	1.700	1.00
56_I	59_K	1.669	1.00
30_I	132_L	1.657	1.00
49_I	101_T	1.651	1.00
3_V	7_I	1.634	1.00
3_V	6_A	1.623	1.00
58_K	92_L	1.621	1.00
20_D	174_Y	1.621	1.00
61_K	92_L	1.607	1.00
60_I	154_V	1.539	1.00
50_I	96_V	1.495	1.00
133_W	145_F	1.490	1.00
58_K	62_Q	1.486	1.00
153_K	156_E	1.471	1.00
193_L	197_D	1.458	1.00
31_L	199_V	1.438	1.00
136_A	172_L	1.432	1.00
129_I	168_S	1.430	1.00
28_A	196_S	1.423	1.00
55_E	58_K	1.399	1.00
4_Y	29_K	1.392	1.00
15_S	176_R	1.390	1.00
195_L	199_V	1.385	1.00
8_R	36_M	1.385	1.00
123_Y	126_V	1.383	1.00
26_V	174_Y	1.377	1.00
155_K	166_L	1.376	1.00
129_I	170_L	1.376	1.00
101_T	160_I	1.371	1.00
48_F	98_M	1.364	1.00
133_W	170_L	1.354	1.00
150_N	153_K	1.346	1.00
137_T	142_G	1.343	1.00
63_V	153_K	1.316	1.00
54_D	57_R	1.300	1.00
35_H	198_L	1.274	1.00
99_A	169_Y	1.272	1.00
98_M	132_L	1.271	1.00
30_I	172_L	1.262	1.00
56_I	157_I	1.261	1.00
63_V	157_I	1.244	1.00
12_D	144_G	1.242	1.00
100_V	129_I	1.213	1.00
59_K	62_Q	1.211	1.00
5_E	8_R	1.200	1.00
30_I	141_I	1.196	1.00
141_I	172_L	1.196	1.00
26_V	29_K	1.191	1.00
22_I	141_I	1.190	1.00
99_A	166_L	1.186	1.00
4_Y	33_A	1.185	1.00
47_N	164_I	1.162	1.00
127_L	130_G	1.158	1.00
136_A	143_V	1.156	1.00
28_A	32_S	1.124	1.00
8_R	32_S	1.115	1.00
55_E	59_K	1.112	1.00
7_I	131_N	1.109	1.00
17_Y	171_T	1.098	1.00
62_Q	66_E	1.091	1.00
125_T	167_V	1.078	1.00
52_R	96_V	1.073	1.00
4_Y	8_R	1.072	1.00
28_A	195_L	1.071	1.00
40_V	120_T	1.063	1.00
143_V	172_L	1.061	1.00
22_I	174_Y	1.051	1.00
33_A	139_E	1.023	1.00
100_V	132_L	1.023	1.00
153_K	157_I	1.021	1.00
103_D	163_E	1.014	1.00
37_A	131_N	1.014	1.00
50_I	199_V	1.013	1.00
53_D	56_I	1.010	1.00
100_V	125_T	1.007	1.00
100_V	170_L	1.007	1.00
25_E	28_A	1.001	1.00
131_N	134_L	1.001	1.00
120_T	147_S	0.999	1.00
23_P	174_Y	0.996	1.00
21_P	52_R	0.994	1.00
4_Y	139_E	0.993	1.00
145_F	168_S	0.961	1.00
21_P	54_D	0.960	1.00
32_S	195_L	0.959	1.00
135_A	138_A	0.948	1.00
135_A	139_E	0.946	1.00
119_E	122_L	0.941	1.00
129_I	145_F	0.940	1.00
132_L	170_L	0.933	1.00
152_E	156_E	0.931	1.00
51_I	99_A	0.922	1.00
146_V	171_T	0.920	1.00
50_I	98_M	0.919	1.00
47_N	103_D	0.915	1.00
19_P	93_D	0.908	1.00
132_L	172_L	0.904	1.00
130_G	134_L	0.893	1.00
104_P	165_E	0.891	1.00
18_K	174_Y	0.887	1.00
143_V	170_L	0.885	1.00
90_A	93_D	0.884	1.00
31_L	50_I	0.873	1.00
87_K	90_A	0.873	1.00
48_F	100_V	0.868	1.00
6_A	138_A	0.859	1.00
102_Y	121_S	0.857	1.00
67_E	70_R	0.855	1.00
118_P	165_E	0.853	1.00
97_N	169_Y	0.853	1.00
122_L	167_V	0.849	1.00
22_I	25_E	0.846	1.00
124_S	147_S	0.839	1.00
3_V	134_L	0.837	1.00
127_L	131_N	0.836	1.00
123_Y	147_S	0.833	1.00
29_K	32_S	0.831	1.00
144_G	171_T	0.825	1.00
38_P	143_V	0.817	1.00
7_I	134_L	0.814	1.00
87_K	93_D	0.803	1.00
194_M	197_D	0.798	1.00
56_I	60_I	0.794	1.00
193_L	198_L	0.793	1.00
29_K	33_A	0.785	1.00
58_K	61_K	0.779	1.00
64_V	67_E	0.774	1.00
27_L	31_L	0.772	1.00
30_I	139_E	0.769	1.00
155_K	165_E	0.760	1.00
20_D	23_P	0.754	1.00
13_I	179_P	0.750	1.00
3_V	138_A	0.745	1.00
103_D	164_I	0.742	1.00
160_I	164_I	0.740	1.00
25_E	29_K	0.739	1.00
17_Y	144_G	0.739	1.00
40_V	147_S	0.738	1.00
101_T	166_L	0.738	1.00
4_Y	135_A	0.736	1.00
98_M	172_L	0.735	1.00
177_E	180_K	0.733	1.00
27_L	172_L	0.733	1.00
102_Y	125_T	0.729	1.00
59_K	63_V	0.723	1.00
149_F	169_Y	0.723	1.00
49_I	164_I	0.717	1.00
49_I	158_L	0.715	1.00
22_I	26_V	0.713	1.00
13_I	175_V	0.712	1.00
27_L	96_V	0.708	1.00
129_I	133_W	0.700	1.00
119_E	165_E	0.700	1.00
36_M	189_W	0.699	1.00
123_Y	127_L	0.698	1.00
112_L	117_M	0.697	1.00
22_I	95_P	0.696	1.00
154_V	157_I	0.691	1.00
94_T	97_N	0.684	1.00
99_A	158_L	0.682	1.00
31_L	34_A	0.681	1.00
4_Y	138_A	0.680	1.00
51_I	158_L	0.678	1.00
61_K	65_E	0.673	1.00
39_S	44_Q	0.671	1.00
152_E	155_K	0.670	1.00
134_L	138_A	0.667	1.00
119_E	123_Y	0.667	1.00
128_A	198_L	0.666	1.00
15_S	179_P	0.662	1.00
18_K	177_E	0.662	1.00
51_I	60_I	0.657	1.00
40_V	124_S	0.652	0.99
64_V	68_R	0.650	0.99
127_L	145_F	0.646	0.99
151_K	166_L	0.631	0.99
34_A	48_F	0.627	0.99
91_I	97_N	0.624	0.99
66_E	69_K	0.623	0.99
39_S	46_W	0.622	0.99
97_N	171_T	0.619	0.99
44_Q	193_L	0.618	0.99
6_A	134_L	0.617	0.99
102_Y	167_V	0.616	0.99
46_W	125_T	0.615	0.99
155_K	160_I	0.614	0.99
7_I	138_A	0.609	0.99
27_L	50_I	0.607	0.99
60_I	97_N	0.603	0.99
15_S	177_E	0.603	0.99
11_R	189_W	0.601	0.99
35_H	48_F	0.600	0.99
96_V	172_L	0.600	0.99
47_N	193_L	0.597	0.99
155_K	162_K	0.596	0.99
57_R	61_K	0.595	0.99
160_I	166_L	0.595	0.99
30_I	33_A	0.593	0.99
104_P	163_E	0.590	0.99
66_E	153_K	0.589	0.99
122_L	126_V	0.587	0.99
46_W	128_A	0.585	0.99
49_I	200_F	0.585	0.99
15_S	93_D	0.584	0.99
105_N	163_E	0.584	0.99
7_I	33_A	0.579	0.99
126_V	145_F	0.578	0.99
35_H	195_L	0.578	0.99
112_L	115_S	0.574	0.99
113_G	116_T	0.568	0.99
161_P	164_I	0.555	0.98
123_Y	167_V	0.555	0.98
22_I	27_L	0.554	0.98
46_W	198_L	0.543	0.98
26_V	30_I	0.542	0.98
8_R	29_K	0.540	0.98
56_I	158_L	0.531	0.98
103_D	106_R	0.528	0.98
65_E	69_K	0.528	0.98
10_R	143_V	0.522	0.98
11_R	179_P	0.521	0.98
142_G	145_F	0.521	0.98
8_R	33_A	0.520	0.98
118_P	122_L	0.519	0.98
151_K	165_E	0.518	0.97
95_P	174_Y	0.517	0.97
37_A	127_L	0.516	0.97
62_Q	65_E	0.516	0.97
34_A	37_A	0.515	0.97
18_K	95_P	0.510	0.97
47_N	101_T	0.509	0.97
21_P	95_P	0.508	0.97
51_I	56_I	0.506	0.97
122_L	165_E	0.502	0.97
176_R	179_P	0.501	0.97
21_P	174_Y	0.500	0.97

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
3n2sA	2	0.8678	100	0.203	Contact Map
1zchA	2	0.8634	100	0.203	Contact Map
1f5vA	2	0.8634	100	0.206	Contact Map
1bkjA	2	0.8502	100	0.21	Contact Map
3eofA	2	0.8634	100	0.246	Contact Map
2iskA	2	0.9075	100	0.247	Contact Map
3g14A	2	0.7753	100	0.261	Contact Map
3gagA	4	0.7621	100	0.27	Contact Map
1noxA	2	0.7577	100	0.272	Contact Map
3bemA	2	0.7665	100	0.273	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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