YUSR - BACSU - GREMLIN Contacts

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YUSR - Short-chain dehydrogenase/reductase homolog YusR

UniProt:	O32184	Sequences: MKGMFFCARAVVPFMKKSKDGAIVNVGSIAGITGAGSSMPYAVSKSAVHGLTKSLAHALAPEIRVSGVAPGAVATRWWAGREEKMKSMIGSLLLQCIAEPDDVAKLICSLIEQESLTGQIITIDSGQTL	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	129 (126)
Sequences:	60038 (34278)
Seq/√Len:	3053.8

ECOLI - ENTA FOLM HCAB YOHF YGHA YGCW KDUD IDNO FABI HDHA SRLD FABG YBBO YGFF YDFG UCPA BDCA YCIK
BACSU - YUSR YVAG UXUB GS39 YWFH YVRD DHBA YHXD YTKK BZRD YXJF KDUD FABG FABI FABL DHG2 YHXC YKVO YJDA FADH DHG BACC YHDF YXBG YMFI YUSZ YUXG YQJQ YOXD DLTE YXNA
HALSA - Q9HNC5 Q9HQ41 Q9HRV8 Q9HSR4 Q9HPP2 Q9HMA5 Q9HS80 Q9HRZ2 Q9HP93
SULSO - Q97ZE4 Q97UK6 Q97VV6 Q97WF0 Q97Y09 Q97WD7 Q97VG2 Q97UA4 Q97ZA0 Q97WL1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
22_A	64_R	3.609	1.00
25_N	52_T	3.492	1.00
46_S	50_G	3.272	1.00
8_A	55_L	3.147	1.00
69_A	120_I	2.939	1.00
12_V	59_L	2.928	1.00
98_A	115_S	2.825	1.00
119_Q	122_T	2.722	1.00
106_L	121_I	2.431	1.00
74_A	99_E	2.323	1.00
27_G	49_H	2.310	1.00
32_I	122_T	2.281	1.00
52_T	67_G	2.175	1.00
2_K	6_F	2.117	1.00
74_A	79_A	1.917	1.00
49_H	120_I	1.890	1.00
4_M	48_V	1.819	1.00
106_L	123_I	1.769	1.00
96_C	102_D	1.705	1.00
14_F	18_S	1.697	1.00
27_G	67_G	1.660	1.00
26_V	107_I	1.557	1.00
22_A	114_E	1.470	1.00
55_L	65_V	1.457	1.00
67_G	120_I	1.448	1.00
68_V	107_I	1.441	1.00
8_A	25_N	1.392	1.00
22_A	66_S	1.360	1.00
116_L	121_I	1.354	1.00
41_Y	45_K	1.328	1.00
85_M	89_I	1.322	1.00
4_M	25_N	1.296	1.00
52_T	65_V	1.288	1.00
73_V	98_A	1.275	1.00
86_K	90_G	1.266	1.00
74_A	85_M	1.248	1.00
109_S	116_L	1.245	1.00
86_K	89_I	1.242	1.00
8_A	23_I	1.239	1.00
23_I	65_V	1.219	1.00
87_S	90_G	1.213	1.00
39_M	58_A	1.200	1.00
8_A	51_L	1.199	1.00
31_G	49_H	1.182	1.00
60_A	117_T	1.173	1.00
82_E	86_K	1.161	1.00
82_E	85_M	1.148	1.00
106_L	109_S	1.140	1.00
32_I	49_H	1.126	1.00
28_S	41_Y	1.124	1.00
101_D	105_K	1.123	1.00
14_F	17_K	1.116	1.00
73_V	103_V	1.109	1.00
2_K	5_F	1.106	1.00
6_F	10_A	1.088	1.00
32_I	69_A	1.078	1.00
42_A	50_G	1.073	1.00
5_F	51_L	1.060	1.00
108_C	111_I	1.051	1.00
96_C	114_E	1.040	1.00
94_L	117_T	1.040	1.00
115_S	125_S	1.009	1.00
15_M	20_D	1.004	1.00
10_A	13_P	0.995	1.00
24_V	111_I	0.993	1.00
20_D	64_R	0.979	1.00
7_C	11_V	0.978	1.00
92_L	115_S	0.952	1.00
34_G	50_G	0.949	1.00
89_I	97_I	0.944	1.00
56_A	118_G	0.926	1.00
64_R	114_E	0.925	1.00
116_L	123_I	0.925	1.00
16_K	59_L	0.919	1.00
11_V	15_M	0.917	1.00
102_D	114_E	0.915	1.00
49_H	53_K	0.915	1.00
12_V	16_K	0.907	1.00
49_H	69_A	0.902	1.00
11_V	14_F	0.892	1.00
46_S	53_K	0.873	1.00
105_K	114_E	0.854	1.00
24_V	107_I	0.852	1.00
72_A	78_W	0.846	1.00
5_F	9_R	0.838	1.00
25_N	48_V	0.826	1.00
27_G	69_A	0.825	1.00
32_I	120_I	0.819	1.00
39_M	51_L	0.817	1.00
42_A	54_S	0.816	1.00
49_H	67_G	0.813	1.00
4_M	7_C	0.804	1.00
37_S	58_A	0.803	1.00
110_L	116_L	0.800	1.00
15_M	18_S	0.798	1.00
83_E	86_K	0.791	1.00
104_A	108_C	0.790	1.00
10_A	14_F	0.783	1.00
50_G	53_K	0.776	1.00
25_N	65_V	0.771	1.00
99_E	114_E	0.763	1.00
105_K	112_E	0.745	1.00
8_A	11_V	0.740	1.00
116_L	119_Q	0.733	1.00
106_L	116_L	0.730	1.00
30_A	42_A	0.724	1.00
43_V	51_L	0.717	1.00
98_A	125_S	0.717	1.00
103_V	123_I	0.710	1.00
30_A	35_A	0.703	1.00
59_L	65_V	0.700	1.00
6_F	9_R	0.694	1.00
5_F	40_P	0.692	1.00
4_M	8_A	0.691	1.00
92_L	127_Q	0.685	1.00
85_M	97_I	0.685	1.00
22_A	111_I	0.682	1.00
56_A	117_T	0.678	1.00
100_P	104_A	0.674	1.00
108_C	112_E	0.669	1.00
70_P	103_V	0.669	1.00
102_D	115_S	0.663	1.00
60_A	94_L	0.657	1.00
15_M	21_G	0.655	1.00
30_A	38_S	0.653	1.00
2_K	40_P	0.653	1.00
83_E	87_S	0.653	1.00
96_C	115_S	0.650	1.00
69_A	122_T	0.648	1.00
119_Q	124_D	0.647	1.00
109_S	112_E	0.646	1.00
35_A	38_S	0.644	1.00
50_G	54_S	0.644	1.00
16_K	19_K	0.641	1.00
55_L	59_L	0.640	1.00
105_K	108_C	0.639	1.00
68_V	103_V	0.632	1.00
46_S	49_H	0.631	1.00
33_T	127_Q	0.631	1.00
68_V	106_L	0.629	1.00
117_T	126_G	0.626	1.00
18_S	21_G	0.624	1.00
94_L	115_S	0.623	1.00
66_S	119_Q	0.623	1.00
39_M	54_S	0.622	1.00
65_V	117_T	0.622	1.00
72_A	92_L	0.621	1.00
78_W	97_I	0.620	1.00
105_K	109_S	0.619	1.00
60_A	93_L	0.615	1.00
76_R	79_A	0.614	1.00
54_S	58_A	0.607	1.00
42_A	46_S	0.604	1.00
12_V	15_M	0.603	1.00
13_P	16_K	0.602	1.00
7_C	10_A	0.598	1.00
66_S	110_L	0.592	1.00
74_A	97_I	0.589	1.00
40_P	44_S	0.584	1.00
57_H	93_L	0.578	1.00
28_S	45_K	0.577	1.00
61_P	95_Q	0.568	1.00
33_T	57_H	0.566	1.00
13_P	17_K	0.560	1.00
84_K	88_M	0.560	1.00
29_I	127_Q	0.558	1.00
41_Y	44_S	0.556	1.00
78_W	81_R	0.555	1.00
8_A	59_L	0.546	1.00
91_S	127_Q	0.546	1.00
31_G	42_A	0.544	1.00
4_M	51_L	0.544	1.00
64_R	94_L	0.538	1.00
105_K	113_Q	0.538	1.00
27_G	48_V	0.534	1.00
66_S	116_L	0.534	1.00
29_I	122_T	0.526	1.00
84_K	87_S	0.521	1.00
79_A	85_M	0.519	1.00
72_A	97_I	0.518	1.00
31_G	46_S	0.517	1.00
39_M	43_V	0.517	1.00
72_A	88_M	0.513	1.00
102_D	105_K	0.510	1.00
38_S	81_R	0.508	1.00
103_V	107_I	0.507	1.00
51_L	55_L	0.502	1.00
110_L	121_I	0.501	1.00
26_V	68_V	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
2et6A	1	0.9302	100	0.206	Contact Map
3lt0A	4	0.9767	100	0.207	Contact Map
1vl8A	4	1	100	0.207	Contact Map
3wtcA	4	1	100	0.208	Contact Map
1zemA	4	0.9767	100	0.21	Contact Map
4qedA	4	1	100	0.211	Contact Map
4o0lA	4	1	100	0.213	Contact Map
2z1nA	4	0.9612	100	0.213	Contact Map
1ae1A	4	1	100	0.214	Contact Map
4weoA	4	0.938	100	0.215	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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