YVDA - BACSU - GREMLIN Contacts

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YVDA - Putative carbonic anhydrase YvdA

UniProt:	O06983	Sequences: MNQMVSLTSILEHNQRFVSEKKYEPYKTTKFPSKKLVIVTCMDTRLTELLPQAMGLKNGDAKIVKNAGAIVSHPFGSVMRSILVAIYELQAEEVCIVGHHECGMSGLNASSILEKAKERGVEDSCLNLLTSAGLDLKTWLTGFHSVEESVSHSVNMIKNHPLLPKKVPVHGLVIHPETGKLDVVINGYETELINNHS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	197 (175)
Sequences:	5126 (3364)
Seq/√Len:	254.3

ECOLI - CAN CYNT
BACSU - YVDA YTIB YBCF
HALSA - Q9HR64
SULSO - Q97YU3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
150_V	171_G	4.041	1.00
35_K	92_E	3.993	1.00
37_V	82_I	2.967	1.00
154_V	171_G	2.899	1.00
154_V	169_V	2.656	1.00
147_E	182_D	2.613	1.00
8_T	12_E	2.405	1.00
68_G	104_M	2.390	1.00
146_V	173_V	2.276	1.00
67_A	81_S	2.231	1.00
93_E	170_H	2.215	1.00
100_H	173_V	2.213	1.00
122_E	125_C	2.142	1.00
12_E	16_R	2.137	1.00
15_Q	19_S	1.994	1.00
15_Q	180_K	1.878	1.00
106_G	142_G	1.816	1.00
106_G	110_S	1.815	1.00
172_L	181_L	1.812	1.00
83_L	87_Y	1.764	1.00
37_V	91_A	1.748	1.00
13_H	17_F	1.724	1.00
101_E	177_E	1.709	1.00
69_A	149_S	1.707	1.00
175_H	182_D	1.700	1.00
25_P	28_T	1.642	1.00
47_T	51_P	1.641	1.00
11_L	183_V	1.641	1.00
147_E	173_V	1.639	1.00
161_P	164_P	1.639	1.00
93_E	168_P	1.630	1.00
79_M	160_H	1.591	1.00
175_H	178_T	1.567	1.00
96_I	157_I	1.562	1.00
148_E	152_H	1.550	1.00
42_M	62_K	1.526	1.00
54_M	61_A	1.526	1.00
56_L	61_A	1.521	1.00
32_P	44_T	1.520	1.00
148_E	151_S	1.464	1.00
9_S	13_H	1.457	1.00
12_E	15_Q	1.446	1.00
16_R	20_E	1.430	1.00
71_V	78_V	1.417	1.00
16_R	55_G	1.404	1.00
14_N	18_V	1.371	1.00
82_I	157_I	1.367	1.00
64_V	81_S	1.338	1.00
13_H	18_V	1.298	1.00
121_V	125_C	1.293	1.00
38_I	97_V	1.286	1.00
100_H	175_H	1.277	1.00
37_V	81_S	1.267	1.00
72_S	77_S	1.263	1.00
120_G	126_L	1.261	1.00
84_V	88_E	1.255	1.00
127_N	130_T	1.226	1.00
97_V	172_L	1.220	1.00
150_V	154_V	1.219	1.00
79_M	157_I	1.193	1.00
160_H	164_P	1.188	1.00
36_L	95_C	1.188	1.00
40_T	46_L	1.185	1.00
120_G	123_D	1.184	1.00
86_I	163_L	1.181	1.00
13_H	55_G	1.174	1.00
156_M	159_N	1.166	1.00
37_V	94_V	1.166	1.00
32_P	103_G	1.144	1.00
95_C	172_L	1.143	1.00
13_H	16_R	1.139	1.00
158_K	169_V	1.130	1.00
21_K	24_E	1.123	1.00
120_G	124_S	1.111	1.00
69_A	98_G	1.109	1.00
163_L	167_V	1.085	1.00
115_K	118_E	1.074	1.00
114_E	117_K	1.072	1.00
120_G	125_C	1.072	1.00
85_A	91_A	1.062	1.00
101_E	106_G	1.059	1.00
90_Q	166_K	1.055	1.00
10_I	54_M	1.054	1.00
86_I	91_A	1.044	1.00
172_L	183_V	1.041	1.00
18_V	180_K	1.038	1.00
54_M	97_V	1.038	1.00
6_S	9_S	1.037	1.00
109_A	145_S	1.022	1.00
39_V	71_V	1.011	1.00
151_S	184_V	1.006	1.00
86_I	167_V	1.002	1.00
114_E	118_E	0.998	1.00
66_N	69_A	0.989	1.00
14_N	17_F	0.989	1.00
160_H	166_K	0.982	1.00
100_H	176_P	0.982	1.00
129_L	133_G	0.974	1.00
98_G	150_V	0.970	1.00
86_I	94_V	0.956	1.00
38_I	54_M	0.955	1.00
121_V	124_S	0.953	1.00
152_H	155_N	0.949	1.00
157_I	169_V	0.948	1.00
18_V	22_K	0.947	1.00
130_T	133_G	0.929	1.00
161_P	166_K	0.921	1.00
163_L	166_K	0.921	1.00
110_S	114_E	0.914	1.00
48_E	51_P	0.912	1.00
129_L	132_A	0.889	1.00
78_V	82_I	0.887	1.00
162_L	165_K	0.883	1.00
137_K	140_L	0.879	1.00
123_D	127_N	0.877	1.00
155_N	158_K	0.876	1.00
31_F	101_E	0.873	1.00
139_W	143_F	0.871	1.00
135_D	138_T	0.859	0.99
98_G	149_S	0.859	0.99
143_F	146_V	0.852	0.99
150_V	173_V	0.849	0.99
142_G	146_V	0.847	0.99
149_S	153_S	0.829	0.99
84_V	103_G	0.821	0.99
6_S	35_K	0.816	0.99
110_S	138_T	0.814	0.99
42_M	89_L	0.810	0.99
11_L	15_Q	0.806	0.99
13_H	22_K	0.803	0.99
32_P	62_K	0.801	0.99
135_D	141_T	0.800	0.99
170_H	183_V	0.797	0.99
178_T	182_D	0.794	0.99
130_T	134_L	0.794	0.99
86_I	166_K	0.791	0.99
38_I	61_A	0.790	0.99
10_I	13_H	0.786	0.99
36_L	61_A	0.785	0.99
121_V	126_L	0.783	0.99
105_S	146_V	0.783	0.99
67_A	104_M	0.783	0.99
128_L	133_G	0.781	0.99
39_V	82_I	0.780	0.99
123_D	126_L	0.780	0.99
70_I	153_S	0.779	0.99
113_L	117_K	0.771	0.99
26_Y	30_K	0.770	0.99
62_K	85_A	0.770	0.99
128_L	132_A	0.769	0.99
155_N	159_N	0.769	0.99
7_L	183_V	0.769	0.99
44_T	62_K	0.762	0.99
147_E	151_S	0.759	0.99
48_E	52_Q	0.758	0.99
152_H	156_M	0.756	0.99
56_L	60_D	0.755	0.99
109_A	142_G	0.752	0.99
117_K	123_D	0.751	0.99
138_T	141_T	0.750	0.99
28_T	58_N	0.749	0.99
113_L	165_K	0.749	0.99
143_F	147_E	0.740	0.98
25_P	29_T	0.737	0.98
105_S	108_N	0.737	0.98
143_F	175_H	0.736	0.98
129_L	134_L	0.736	0.98
11_L	181_L	0.734	0.98
64_V	78_V	0.732	0.98
42_M	64_V	0.730	0.98
40_T	97_V	0.729	0.98
95_C	170_H	0.726	0.98
72_S	78_V	0.722	0.98
131_S	134_L	0.720	0.98
151_S	171_G	0.710	0.98
37_V	85_A	0.705	0.98
20_E	24_E	0.703	0.98
112_I	115_K	0.702	0.98
18_V	23_Y	0.700	0.98
133_G	136_L	0.692	0.98
132_A	135_D	0.688	0.98
29_T	33_S	0.683	0.97
71_V	153_S	0.675	0.97
47_T	63_I	0.674	0.97
122_E	126_L	0.673	0.97
54_M	172_L	0.673	0.97
62_K	84_V	0.673	0.97
87_Y	166_K	0.671	0.97
47_T	53_A	0.663	0.97
143_F	173_V	0.663	0.97
77_S	80_R	0.656	0.97
66_N	77_S	0.655	0.97
115_K	119_R	0.654	0.97
105_S	145_S	0.653	0.97
14_N	22_K	0.653	0.97
39_V	66_N	0.640	0.96
125_C	129_L	0.638	0.96
9_S	12_E	0.636	0.96
36_L	92_E	0.635	0.96
154_V	158_K	0.634	0.96
26_Y	29_T	0.629	0.96
36_L	93_E	0.629	0.96
7_L	93_E	0.626	0.96
40_T	47_T	0.621	0.96
10_I	14_N	0.619	0.95
113_L	116_A	0.618	0.95
38_I	48_E	0.616	0.95
31_F	44_T	0.613	0.95
57_K	60_D	0.610	0.95
99_H	102_C	0.610	0.95
40_T	48_E	0.606	0.95
9_S	14_N	0.600	0.95
144_H	148_E	0.599	0.95
77_S	91_A	0.599	0.95
48_E	58_N	0.599	0.95
54_M	181_L	0.596	0.94
51_P	56_L	0.594	0.94
127_N	131_S	0.594	0.94
10_I	17_F	0.594	0.94
140_L	143_F	0.591	0.94
100_H	177_E	0.590	0.94
111_S	114_E	0.585	0.94
133_G	137_K	0.585	0.94
161_P	165_K	0.585	0.94
48_E	63_I	0.583	0.94
33_S	90_Q	0.583	0.94
46_L	53_A	0.581	0.94
6_S	13_H	0.579	0.94
69_A	153_S	0.577	0.93
51_P	61_A	0.574	0.93
141_T	145_S	0.572	0.93
67_A	103_G	0.571	0.93
139_W	144_H	0.569	0.93
116_A	119_R	0.564	0.93
138_T	142_G	0.563	0.93
37_V	64_V	0.560	0.92
53_A	181_L	0.551	0.92
70_I	149_S	0.551	0.92
106_G	109_A	0.548	0.92
121_V	129_L	0.547	0.92
42_M	67_A	0.546	0.91
16_R	19_S	0.546	0.91
67_A	80_R	0.537	0.91
122_E	127_N	0.536	0.91
10_I	181_L	0.529	0.90
64_V	67_A	0.528	0.90
173_V	182_D	0.527	0.90
66_N	78_V	0.527	0.90
18_V	178_T	0.521	0.89
36_L	83_L	0.520	0.89
87_Y	165_K	0.517	0.89
140_L	144_H	0.517	0.89
10_I	36_L	0.512	0.89
9_S	35_K	0.508	0.88
132_A	148_E	0.505	0.88
87_Y	162_L	0.504	0.88
21_K	52_Q	0.504	0.88
137_K	141_T	0.504	0.88
62_K	91_A	0.503	0.88
21_K	57_K	0.503	0.88
42_M	84_V	0.501	0.88
13_H	24_E	0.500	0.87

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
2w3qA	2	0.9492	100	0.133	Contact Map
1ddzA	2	0.9645	100	0.15	Contact Map
3e3iA	6	0.9289	100	0.153	Contact Map
4rxyA	4	0.9391	100	0.154	Contact Map
3qy1A	4	0.9442	100	0.157	Contact Map
1ekjA	5	0.9848	100	0.159	Contact Map
4o1jA	4	0.9137	100	0.161	Contact Map
1ym3A	2	0.9086	100	0.164	Contact Map
3ucjA	4	0.9391	100	0.167	Contact Map
4o1kA	4	0.9543	100	0.168	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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