CAN - ECOLI - GREMLIN Contacts

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CAN - Carbonic anhydrase 2

UniProt:	P61517	Sequences: MKDIDTLISNNALWSKMLVEEDPGFFEKLAQAQKPRFLWIGCSDSRVPAERLTGLEPGELFVHRNVANLVIHTDLNCLSVVQYAVDVLEVEHIIICGHYGCGGVQAAVENPELGLINNWLLHIRDIWFKHSSLLGEMPQERRLDTLCELNVMEQVYNLGHSTIMQSAWKRGQKVTIHGWAYGIHDGLLRDLDVTATNRETLEQRYRHGISNLKLKHANHK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12319
Length:	220 (188)
Sequences:	4072 (2498)
Seq/√Len:	182.2

ECOLI - CAN CYNT
BACSU - YTIB YVDA 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
151_V	178_G	4.581	1.00
159_G	168_W	3.968	1.00
36_R	91_E	3.940	1.00
170_R	173_K	3.891	1.00
155_V	178_G	3.057	1.00
67_A	103_G	2.947	1.00
5_D	9_S	2.742	1.00
155_V	176_I	2.645	1.00
165_Q	169_K	2.596	1.00
38_L	81_V	2.401	1.00
92_H	177_H	2.303	1.00
82_Q	86_D	2.231	1.00
105_Q	109_E	2.182	1.00
66_V	80_V	2.172	1.00
105_Q	143_L	2.170	1.00
99_Y	180_A	2.146	1.00
148_E	189_R	2.130	1.00
166_S	170_R	2.113	1.00
147_C	180_A	2.031	1.00
33_Q	45_S	2.009	1.00
8_I	190_D	1.977	1.00
43_S	61_F	1.939	1.00
9_S	13_L	1.875	1.00
91_E	173_K	1.849	1.00
179_W	188_L	1.848	1.00
13_L	54_G	1.829	1.00
85_V	164_M	1.774	1.00
182_G	189_R	1.753	1.00
84_A	90_V	1.746	1.00
78_L	161_S	1.743	1.00
85_V	167_A	1.735	1.00
12_A	16_K	1.712	1.00
53_T	60_L	1.695	1.00
167_A	173_K	1.645	1.00
89_E	167_A	1.645	1.00
12_A	187_L	1.601	1.00
83_Y	87_V	1.586	1.00
38_L	90_V	1.568	1.00
25_F	28_K	1.559	1.00
148_E	180_A	1.522	1.00
69_L	123_I	1.521	1.00
159_G	176_I	1.502	1.00
38_L	80_V	1.498	1.00
33_Q	102_G	1.462	1.00
9_S	12_A	1.450	1.00
108_V	146_L	1.442	1.00
63_H	80_V	1.429	1.00
182_G	185_D	1.415	1.00
149_L	152_M	1.390	1.00
100_G	184_H	1.379	1.00
151_V	155_V	1.378	1.00
10_N	54_G	1.378	1.00
92_H	175_T	1.363	1.00
81_V	158_L	1.363	1.00
65_N	68_N	1.335	1.00
68_N	150_N	1.323	1.00
157_N	160_H	1.304	1.00
32_A	100_G	1.301	1.00
107_A	123_I	1.280	1.00
104_V	123_I	1.279	1.00
126_I	153_E	1.256	1.00
38_L	93_I	1.249	1.00
13_L	17_M	1.245	1.00
99_Y	182_G	1.218	1.00
70_V	77_C	1.173	1.00
121_L	124_R	1.171	1.00
85_V	90_V	1.167	1.00
130_H	149_L	1.159	1.00
94_I	179_W	1.159	1.00
124_R	127_W	1.150	1.00
167_A	174_V	1.150	1.00
164_M	174_V	1.144	1.00
144_D	148_E	1.142	1.00
83_Y	102_G	1.139	1.00
140_E	144_D	1.113	1.00
39_W	96_C	1.097	1.00
109_E	139_Q	1.095	1.00
96_C	179_W	1.092	1.00
179_W	190_D	1.091	1.00
100_G	105_Q	1.090	1.00
11_N	15_S	1.066	1.00
24_G	27_E	1.064	1.00
87_V	113_L	1.021	0.99
152_M	191_L	1.020	0.99
41_G	47_V	0.989	0.99
40_I	81_V	0.978	0.99
53_T	179_W	0.978	0.99
43_S	88_L	0.977	0.99
185_D	189_R	0.971	0.99
66_V	103_G	0.968	0.99
108_V	143_L	0.968	0.99
75_L	118_N	0.963	0.99
86_D	166_S	0.958	0.99
134_L	137_M	0.957	0.99
143_L	147_C	0.948	0.99
190_D	193_V	0.946	0.99
129_K	149_L	0.946	0.99
77_C	81_V	0.946	0.99
153_E	156_Y	0.925	0.99
6_T	10_N	0.922	0.99
122_H	125_D	0.914	0.99
112_E	120_L	0.913	0.99
43_S	63_H	0.912	0.99
22_D	56_E	0.908	0.99
41_G	96_C	0.908	0.99
50_E	60_L	0.906	0.99
32_A	45_S	0.905	0.99
30_A	100_G	0.903	0.99
55_L	60_L	0.899	0.99
22_D	28_K	0.895	0.99
34_K	89_E	0.893	0.99
110_N	124_R	0.892	0.99
139_Q	142_R	0.884	0.99
50_E	55_L	0.878	0.98
150_N	154_Q	0.875	0.98
124_R	128_F	0.874	0.98
10_N	14_W	0.865	0.98
70_V	154_Q	0.863	0.98
104_V	147_C	0.862	0.98
24_G	28_K	0.861	0.98
10_N	13_L	0.848	0.98
139_Q	143_L	0.848	0.98
7_L	53_T	0.844	0.98
39_W	53_T	0.843	0.98
134_L	145_T	0.842	0.98
152_M	178_G	0.838	0.98
87_V	116_I	0.836	0.98
17_M	21_E	0.833	0.98
104_V	146_L	0.829	0.98
112_E	117_N	0.825	0.98
149_L	153_E	0.824	0.98
8_I	188_L	0.821	0.98
48_P	52_L	0.811	0.97
140_E	145_T	0.797	0.97
4_I	92_H	0.797	0.97
113_L	117_N	0.794	0.97
85_V	93_I	0.781	0.97
138_P	141_R	0.780	0.97
45_S	102_G	0.776	0.97
75_L	115_L	0.772	0.97
27_E	30_A	0.772	0.97
61_F	102_G	0.769	0.96
68_N	154_Q	0.766	0.96
123_I	126_I	0.761	0.96
86_D	167_A	0.760	0.96
33_Q	61_F	0.760	0.96
50_E	62_V	0.760	0.96
63_H	77_C	0.760	0.96
48_P	62_V	0.754	0.96
97_G	151_V	0.752	0.96
102_G	116_I	0.751	0.96
136_E	139_Q	0.750	0.96
128_F	131_S	0.750	0.96
72_H	122_H	0.746	0.96
17_M	54_G	0.745	0.96
141_R	145_T	0.744	0.96
70_V	78_L	0.742	0.96
22_D	25_F	0.742	0.96
113_L	116_I	0.739	0.96
18_L	51_R	0.739	0.96
53_T	96_C	0.731	0.95
86_D	163_I	0.728	0.95
114_G	117_N	0.727	0.95
156_Y	159_G	0.723	0.95
105_Q	108_V	0.720	0.95
25_F	29_L	0.718	0.95
158_L	164_M	0.710	0.95
145_T	149_L	0.709	0.94
43_S	83_Y	0.707	0.94
151_V	180_A	0.702	0.94
167_A	170_R	0.702	0.94
112_E	166_S	0.702	0.94
76_N	79_S	0.699	0.94
15_S	19_V	0.699	0.94
108_V	142_R	0.698	0.94
141_R	144_D	0.698	0.94
49_A	57_P	0.695	0.94
132_S	135_G	0.693	0.94
37_F	91_E	0.691	0.94
15_S	187_L	0.686	0.93
65_N	119_W	0.686	0.93
55_L	59_E	0.683	0.93
49_A	62_V	0.681	0.93
144_D	180_A	0.680	0.93
122_H	126_I	0.679	0.93
19_V	24_G	0.678	0.93
40_I	70_V	0.675	0.93
41_G	81_V	0.672	0.93
82_Q	115_L	0.672	0.93
144_D	147_C	0.672	0.93
137_M	142_R	0.667	0.93
144_D	182_G	0.664	0.92
37_F	92_H	0.664	0.92
28_K	56_E	0.664	0.92
145_T	148_E	0.654	0.92
78_L	115_L	0.653	0.92
65_N	76_N	0.652	0.92
7_L	39_W	0.651	0.92
89_E	173_K	0.648	0.91
129_K	153_E	0.646	0.91
142_R	146_L	0.643	0.91
129_K	156_Y	0.640	0.91
74_D	114_G	0.637	0.91
18_L	56_E	0.636	0.91
26_F	29_L	0.635	0.91
6_T	36_R	0.633	0.90
102_G	106_A	0.631	0.90
158_L	176_I	0.631	0.90
83_Y	88_L	0.617	0.89
115_L	118_N	0.617	0.89
110_N	114_G	0.609	0.89
180_A	189_R	0.606	0.88
37_F	82_Q	0.606	0.88
26_F	183_I	0.603	0.88
82_Q	186_G	0.601	0.88
168_W	175_T	0.601	0.88
99_Y	183_I	0.601	0.88
86_D	112_E	0.600	0.88
37_F	94_I	0.599	0.88
162_T	165_Q	0.595	0.88
164_M	167_A	0.595	0.88
104_V	107_A	0.595	0.88
85_V	174_V	0.594	0.87
36_R	55_L	0.587	0.87
108_V	127_W	0.582	0.86
122_H	157_N	0.581	0.86
8_I	94_I	0.578	0.86
68_N	97_G	0.577	0.86
41_G	49_A	0.577	0.86
94_I	190_D	0.574	0.86
144_D	184_H	0.574	0.86
123_I	127_W	0.573	0.86
177_H	190_D	0.573	0.86
37_F	60_L	0.570	0.85
83_Y	105_Q	0.567	0.85
132_S	136_E	0.567	0.85
28_K	31_Q	0.562	0.84
76_N	90_V	0.560	0.84
62_V	65_N	0.557	0.84
118_N	121_L	0.553	0.83
100_G	140_E	0.552	0.83
107_A	127_W	0.551	0.83
76_N	119_W	0.549	0.83
155_V	159_G	0.549	0.83
61_F	84_A	0.549	0.83
107_A	146_L	0.548	0.83
42_C	101_C	0.547	0.83
106_A	116_I	0.547	0.83
159_G	165_Q	0.544	0.82
30_A	183_I	0.543	0.82
83_Y	116_I	0.543	0.82
49_A	60_L	0.543	0.82
176_I	193_V	0.543	0.82
51_R	57_P	0.542	0.82
39_W	49_A	0.541	0.82
118_N	122_H	0.540	0.82
66_V	79_S	0.539	0.82
94_I	177_H	0.539	0.82
65_N	77_C	0.537	0.82
131_S	135_G	0.536	0.82
42_C	98_H	0.530	0.81
116_I	162_T	0.530	0.81
52_L	188_L	0.528	0.81
11_N	188_L	0.528	0.81
96_C	181_Y	0.526	0.80
122_H	153_E	0.526	0.80
134_L	142_R	0.521	0.80
6_T	55_L	0.520	0.80
93_I	164_M	0.520	0.80
38_L	84_A	0.519	0.79
40_I	49_A	0.517	0.79
10_N	193_V	0.510	0.78
131_S	142_R	0.508	0.78
162_T	166_S	0.508	0.78
26_F	57_P	0.507	0.78
69_L	126_I	0.506	0.78
95_I	154_Q	0.506	0.78
75_L	114_G	0.505	0.78
73_T	162_T	0.504	0.77
70_V	157_N	0.504	0.77
78_L	158_L	0.503	0.77
41_G	48_P	0.500	0.77

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
3qy1A	4	0.9818	100	0.152	Contact Map
1ddzA	2	1	100	0.156	Contact Map
4rxyA	4	0.9455	100	0.162	Contact Map
3e3iA	6	0.9636	100	0.163	Contact Map
4o1kA	4	0.9455	100	0.173	Contact Map
2w3qA	2	0.8545	100	0.179	Contact Map
3ucjA	4	0.9864	100	0.18	Contact Map
4o1jA	4	0.8864	100	0.187	Contact Map
1ekjA	5	0.9182	100	0.19	Contact Map
3eyxA	2	0.8591	100	0.205	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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