Y1253 - SULSO - GREMLIN Contacts

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Y1253 - Putative esterase SSO1253

UniProt:	Q97YR6	Sequences: MKNKNLFPMLSVSEVNELLKQEEIFNFIGIEFEKLEKGYSRLKFNFNEKLTRIGGILHGGVVFSAVDYAGSYAVRTLDKVKDGVTAELKINFLKPMKEGPFTVEPRVISEGKRLVVVDISAYDGNSNLCAKALGTWVVYRETNSETQLSS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	150 (123)
Sequences:	6280 (4297)
Seq/√Len:	387.4

ECOLI - PAAI YIGI MENI ENTH
BACSU - COMA2
HALSA - Y1336
SULSO - Y1253 Q97UX9 Y2140 Q97VK2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
43_K	100_P	3.387	1.00
33_E	43_K	3.024	1.00
86_A	114_L	2.583	1.00
41_R	104_E	2.568	1.00
34_K	41_R	2.341	1.00
104_E	122_Y	2.339	1.00
34_K	39_Y	2.220	1.00
31_E	43_K	2.175	1.00
42_L	69_A	2.166	1.00
63_F	88_L	1.987	1.00
36_E	39_Y	1.937	1.00
120_S	128_L	1.916	1.00
70_G	119_I	1.866	1.00
69_A	103_V	1.847	1.00
39_Y	104_E	1.817	1.00
39_Y	106_R	1.797	1.00
44_F	61_V	1.788	1.00
41_R	102_T	1.755	1.00
74_V	115_V	1.744	1.00
94_K	127_N	1.719	1.00
43_K	102_T	1.702	1.00
123_D	127_N	1.698	1.00
66_V	132_A	1.666	1.00
118_D	131_K	1.653	1.00
107_V	110_E	1.592	1.00
108_I	118_D	1.560	1.00
45_N	100_P	1.546	1.00
106_R	120_S	1.543	1.00
106_R	118_D	1.534	1.00
81_K	140_R	1.475	1.00
70_G	134_G	1.467	1.00
87_E	91_N	1.446	1.00
63_F	90_I	1.445	1.00
66_V	119_I	1.440	1.00
33_E	41_R	1.437	1.00
99_G	124_G	1.378	1.00
24_I	61_V	1.352	1.00
27_F	49_K	1.327	1.00
96_M	129_C	1.326	1.00
108_I	131_K	1.303	1.00
77_L	110_E	1.284	1.00
120_S	131_K	1.284	1.00
38_G	76_T	1.280	1.00
62_V	130_A	1.263	1.00
74_V	136_W	1.239	1.00
46_F	57_L	1.230	1.00
24_I	64_S	1.209	1.00
47_N	50_L	1.188	1.00
99_G	123_D	1.165	1.00
122_Y	126_S	1.157	1.00
63_F	92_F	1.155	1.00
48_E	51_T	1.132	1.00
109_S	114_L	1.124	1.00
90_I	130_A	1.121	1.00
66_V	121_A	1.099	1.00
65_A	103_V	1.099	1.00
115_V	138_V	1.098	1.00
96_M	101_F	1.092	1.00
118_D	133_L	1.079	1.00
122_Y	128_L	1.076	1.00
57_L	101_F	1.063	1.00
62_V	121_A	1.062	1.00
93_L	131_K	1.055	1.00
103_V	119_I	1.038	1.00
31_E	100_P	1.008	1.00
100_P	124_G	1.008	1.00
62_V	129_C	1.004	1.00
30_I	42_L	0.985	1.00
56_I	84_V	0.982	1.00
44_F	65_A	0.974	1.00
67_D	85_T	0.964	1.00
77_L	107_V	0.949	1.00
74_V	117_V	0.944	1.00
114_L	137_V	0.942	1.00
89_K	133_L	0.938	1.00
102_T	124_G	0.931	1.00
60_G	64_S	0.927	1.00
109_S	116_V	0.906	1.00
91_N	135_T	0.901	1.00
113_R	137_V	0.894	1.00
31_E	45_N	0.886	1.00
84_V	139_Y	0.874	1.00
25_F	68_Y	0.859	1.00
78_D	81_K	0.857	1.00
73_A	117_V	0.844	1.00
73_A	107_V	0.840	1.00
87_E	133_L	0.831	1.00
73_A	105_P	0.827	1.00
102_T	122_Y	0.821	1.00
104_E	120_S	0.815	1.00
57_L	96_M	0.802	1.00
101_F	129_C	0.779	1.00
93_L	128_L	0.776	1.00
33_E	100_P	0.775	1.00
28_I	64_S	0.773	1.00
35_L	76_T	0.769	1.00
107_V	117_V	0.769	1.00
93_L	109_S	0.767	1.00
94_K	109_S	0.761	1.00
116_V	135_T	0.757	1.00
70_G	136_W	0.755	1.00
103_V	121_A	0.752	1.00
50_L	61_V	0.749	1.00
32_F	42_L	0.743	1.00
62_V	92_F	0.741	1.00
91_N	116_V	0.738	1.00
87_E	135_T	0.736	1.00
37_K	77_L	0.729	1.00
45_N	50_L	0.729	1.00
88_L	92_F	0.727	1.00
56_I	95_P	0.726	1.00
101_F	121_A	0.724	1.00
75_R	83_G	0.713	1.00
83_G	138_V	0.709	1.00
75_R	82_D	0.702	1.00
23_E	26_N	0.698	1.00
46_F	51_T	0.697	1.00
59_G	92_F	0.697	1.00
66_V	90_I	0.685	0.99
46_F	50_L	0.679	0.99
70_G	117_V	0.676	0.99
38_G	107_V	0.675	0.99
38_G	77_L	0.670	0.99
119_I	134_G	0.670	0.99
102_T	126_S	0.669	0.99
104_E	126_S	0.668	0.99
58_H	68_Y	0.665	0.99
63_F	132_A	0.658	0.99
21_Q	26_N	0.657	0.99
53_I	71_S	0.654	0.99
67_D	71_S	0.647	0.99
88_L	132_A	0.642	0.99
68_Y	72_Y	0.635	0.99
85_T	88_L	0.627	0.99
29_G	49_K	0.627	0.99
128_L	131_K	0.623	0.99
85_T	136_W	0.622	0.99
93_L	116_V	0.622	0.99
30_I	44_F	0.619	0.99
25_F	72_Y	0.619	0.99
20_K	26_N	0.619	0.99
51_T	98_E	0.619	0.99
62_V	96_M	0.616	0.99
105_P	119_I	0.616	0.99
57_L	62_V	0.611	0.99
69_A	105_P	0.604	0.99
71_S	136_W	0.601	0.99
70_G	132_A	0.601	0.99
85_T	134_G	0.600	0.99
29_G	47_N	0.595	0.98
110_E	115_V	0.592	0.98
43_K	124_G	0.591	0.98
56_I	97_K	0.591	0.98
86_A	137_V	0.589	0.98
96_M	123_D	0.585	0.98
62_V	67_D	0.577	0.98
32_F	72_Y	0.572	0.98
38_G	73_A	0.570	0.98
91_N	133_L	0.569	0.98
119_I	132_A	0.569	0.98
33_E	42_L	0.568	0.98
26_N	49_K	0.567	0.98
40_S	73_A	0.567	0.98
102_T	123_D	0.554	0.98
90_I	132_A	0.548	0.97
115_V	136_W	0.545	0.97
50_L	57_L	0.545	0.97
82_D	139_Y	0.544	0.97
83_G	136_W	0.542	0.97
27_F	61_V	0.540	0.97
84_V	137_V	0.539	0.97
40_S	76_T	0.539	0.97
23_E	27_F	0.538	0.97
123_D	129_C	0.536	0.97
54_G	84_V	0.533	0.97
116_V	131_K	0.531	0.97
24_I	28_I	0.527	0.97
88_L	134_G	0.524	0.97
116_V	133_L	0.516	0.96
81_K	138_V	0.513	0.96
112_K	140_R	0.513	0.96
24_I	27_F	0.513	0.96
25_F	30_I	0.503	0.96
94_K	137_V	0.500	0.96

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
3hduA	4	0.9	99.9	0.329	Contact Map
3e8pA	3	0.9067	99.9	0.331	Contact Map
3f1tA	2	0.88	99.9	0.333	Contact Map
4rmmA	2	0.8933	99.9	0.333	Contact Map
1t82A	2	0.9	99.9	0.347	Contact Map
3lmbA	2	0.9267	99.9	0.352	Contact Map
3gekA	3	0.8067	99.9	0.357	Contact Map
3e29A	3	0.8867	99.9	0.361	Contact Map
3e1eA	3	0.9133	99.9	0.362	Contact Map
1yocA	4	0.9	99.9	0.362	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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