Q9HR64 - HALSA - GREMLIN Contacts

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Q9HR64 - Carbonic anhydrase

UniProt:	Q9HR64	Sequences: MLAGNQRHAAEFQSRFDDVQNAQHPDAVTVCCADSRVLQDELWANTDPGSIFTCANIGNRVIQQTPDGDVVSGDVLYPIEHTGTETAVVVGHTGCGAVTAAYRDLTGDTGAEPPGIAHSLTPIRTRLAAGVDLLPADLSESAAINRLVEYNVDQQVQFLLESDRVDDDVSVVGAVYDFQDVYPGSRGEAHVINVDGETDPSALREQAPEIASRITRLWSY	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	220 (178)
Sequences:	3886 (2316)
Seq/√Len:	173.6

ECOLI - CYNT CAN
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
152_V	173_G	4.850	1.00
26_D	85_E	4.225	1.00
156_V	173_G	3.308	1.00
58_G	97_A	3.268	1.00
156_V	171_V	2.893	1.00
28_V	75_V	2.713	1.00
86_T	172_V	2.627	1.00
76_L	80_E	2.396	1.00
57_I	74_D	2.387	1.00
99_T	103_R	2.361	1.00
99_T	144_I	2.307	1.00
93_T	175_V	2.279	1.00
148_V	175_V	2.254	1.00
149_E	184_G	2.222	1.00
23_Q	35_S	2.163	1.00
174_A	183_P	2.161	1.00
33_A	52_F	2.050	1.00
72_S	162_S	2.043	1.00
85_E	168_D	2.022	1.00
7_R	45_N	1.981	1.00
2_L	185_S	1.968	1.00
78_P	84_T	1.946	1.00
3_A	7_R	1.914	1.00
135_P	138_L	1.883	1.00
60_R	123_I	1.746	1.00
6_Q	182_Y	1.725	1.00
6_Q	10_A	1.712	1.00
77_Y	81_H	1.666	1.00
28_V	74_D	1.662	1.00
177_D	184_G	1.620	1.00
15_R	18_D	1.607	1.00
165_V	169_V	1.592	1.00
149_E	175_V	1.585	1.00
160_L	171_V	1.568	1.00
163_D	166_D	1.562	1.00
28_V	84_T	1.549	1.00
43_W	51_I	1.544	1.00
54_C	74_D	1.544	1.00
102_Y	147_L	1.536	1.00
94_G	179_Q	1.522	1.00
150_Y	153_D	1.520	1.00
23_Q	96_G	1.480	1.00
86_T	170_S	1.468	1.00
22_A	94_G	1.457	1.00
16_F	19_V	1.443	1.00
126_R	154_Q	1.418	1.00
177_D	180_D	1.410	1.00
101_A	123_I	1.382	1.00
56_N	59_N	1.349	1.00
98_V	123_I	1.328	1.00
28_V	87_A	1.323	1.00
75_V	159_L	1.322	1.00
7_R	11_E	1.318	1.00
139_S	142_A	1.312	1.00
158_F	161_E	1.302	1.00
59_N	151_N	1.283	1.00
130_G	150_Y	1.269	1.00
152_V	156_V	1.263	1.00
61_V	71_V	1.262	1.00
4_G	45_N	1.236	1.00
121_T	124_R	1.235	1.00
14_S	17_D	1.224	1.00
93_T	177_D	1.220	1.00
145_N	149_E	1.218	1.00
94_G	99_T	1.208	1.00
88_V	174_A	1.208	1.00
164_R	167_D	1.207	1.00
30_V	75_V	1.199	1.00
29_T	90_V	1.198	1.00
141_S	145_N	1.181	1.00
153_D	186_R	1.173	1.00
3_A	6_Q	1.169	1.00
124_R	127_L	1.169	1.00
77_Y	96_G	1.157	1.00
103_R	140_E	1.140	1.00
5_N	9_A	1.100	1.00
33_A	82_T	1.089	1.00
14_S	18_D	1.082	1.00
79_I	84_T	1.080	1.00
4_G	8_H	1.054	1.00
90_V	174_A	1.053	1.00
102_Y	144_I	1.051	1.00
57_I	97_A	1.041	0.99
40_D	43_W	1.036	0.99
144_I	148_V	1.025	0.99
81_H	113_P	1.023	0.99
24_H	83_G	1.013	0.99
129_A	150_Y	1.005	0.99
31_C	37_V	1.004	0.99
46_T	51_I	1.003	0.99
98_V	147_L	0.969	0.99
9_A	182_Y	0.968	0.99
106_T	167_D	0.962	0.99
33_A	54_C	0.959	0.99
153_D	173_G	0.946	0.99
174_A	185_S	0.944	0.99
15_R	19_V	0.944	0.99
185_S	188_E	0.941	0.99
154_Q	157_Q	0.940	0.99
180_D	184_G	0.940	0.99
113_P	116_I	0.940	0.99
40_D	46_T	0.914	0.99
38_L	42_L	0.910	0.99
61_V	155_Q	0.906	0.99
80_E	167_D	0.899	0.98
122_P	125_T	0.892	0.98
124_R	128_A	0.889	0.98
151_N	155_Q	0.887	0.98
91_G	152_V	0.885	0.98
23_Q	52_F	0.883	0.98
137_D	140_E	0.882	0.98
81_H	116_I	0.881	0.98
71_V	75_V	0.881	0.98
143_A	147_L	0.872	0.98
150_Y	154_Q	0.870	0.98
59_N	155_Q	0.848	0.98
142_A	146_R	0.846	0.98
79_I	165_V	0.825	0.97
72_S	115_G	0.820	0.97
27_A	85_E	0.818	0.97
140_E	144_I	0.817	0.97
31_C	90_V	0.813	0.97
63_Q	122_P	0.810	0.97
145_N	148_V	0.807	0.97
96_G	116_I	0.799	0.97
122_P	158_F	0.795	0.97
54_C	71_V	0.795	0.97
104_D	124_R	0.793	0.97
40_D	51_I	0.789	0.96
140_E	143_A	0.787	0.96
22_A	35_S	0.784	0.96
14_S	19_V	0.779	0.96
39_Q	53_T	0.779	0.96
113_P	117_A	0.778	0.96
163_D	167_D	0.777	0.96
2_L	183_P	0.773	0.96
102_Y	143_A	0.772	0.96
52_F	96_G	0.767	0.96
33_A	77_Y	0.765	0.96
146_R	150_Y	0.764	0.96
20_Q	94_G	0.762	0.96
76_L	181_V	0.754	0.95
11_E	45_N	0.754	0.95
79_I	87_A	0.752	0.95
152_V	175_V	0.751	0.95
159_L	171_V	0.750	0.95
123_I	126_R	0.746	0.95
142_A	145_N	0.745	0.95
27_A	86_T	0.742	0.95
98_V	148_V	0.741	0.95
62_I	71_V	0.741	0.95
63_Q	115_G	0.736	0.95
18_D	47_D	0.735	0.95
63_Q	118_H	0.735	0.95
13_Q	16_F	0.732	0.95
129_A	157_Q	0.732	0.95
145_N	175_V	0.730	0.95
38_L	53_T	0.720	0.94
77_Y	82_T	0.714	0.94
129_A	154_Q	0.710	0.94
43_W	174_A	0.707	0.94
40_D	53_T	0.705	0.94
19_V	48_P	0.701	0.93
175_V	184_G	0.701	0.93
127_L	147_L	0.699	0.93
157_Q	160_L	0.699	0.93
146_R	149_E	0.697	0.93
12_F	47_D	0.694	0.93
128_A	131_V	0.689	0.93
141_S	146_R	0.686	0.93
27_A	88_V	0.683	0.92
3_A	132_D	0.680	0.92
145_N	177_D	0.678	0.92
35_S	96_G	0.674	0.92
61_V	72_S	0.664	0.91
99_T	102_Y	0.663	0.91
4_G	7_R	0.663	0.91
114_P	117_A	0.659	0.91
72_S	159_L	0.655	0.91
37_V	42_L	0.654	0.91
79_I	166_D	0.654	0.91
59_N	91_G	0.653	0.91
43_W	90_V	0.651	0.91
96_G	100_A	0.648	0.90
83_G	168_D	0.647	0.90
2_L	88_V	0.644	0.90
56_N	119_S	0.642	0.90
137_D	143_A	0.641	0.90
76_L	115_G	0.640	0.90
16_F	48_P	0.627	0.89
20_Q	179_Q	0.622	0.88
20_Q	178_F	0.620	0.88
98_V	151_N	0.620	0.88
160_L	166_D	0.613	0.88
39_Q	48_P	0.611	0.88
123_I	127_L	0.610	0.88
64_Q	163_D	0.609	0.87
132_D	136_A	0.609	0.87
156_V	160_L	0.608	0.87
30_V	60_R	0.606	0.87
118_H	121_T	0.604	0.87
18_D	89_V	0.601	0.87
98_V	101_A	0.599	0.87
122_P	154_Q	0.599	0.87
87_A	166_D	0.598	0.86
78_P	87_A	0.597	0.86
131_V	143_A	0.590	0.86
171_V	188_E	0.588	0.86
126_R	150_Y	0.586	0.85
29_T	39_Q	0.586	0.85
122_P	126_R	0.585	0.85
94_G	141_S	0.580	0.85
39_Q	51_I	0.580	0.85
46_T	50_S	0.578	0.85
29_T	178_F	0.577	0.85
31_C	75_V	0.576	0.84
29_T	43_W	0.575	0.84
118_H	122_P	0.574	0.84
51_I	106_T	0.571	0.84
67_D	74_D	0.567	0.83
103_R	106_T	0.565	0.83
29_T	51_I	0.565	0.83
101_A	127_L	0.562	0.83
27_A	76_L	0.556	0.82
16_F	20_Q	0.556	0.82
158_F	162_S	0.555	0.82
101_A	139_S	0.552	0.82
100_A	116_I	0.552	0.82
62_I	120_L	0.552	0.82
115_G	118_H	0.549	0.81
102_Y	127_L	0.544	0.81
39_Q	93_T	0.543	0.81
118_H	163_D	0.540	0.80
27_A	51_I	0.539	0.80
32_C	95_C	0.538	0.80
61_V	158_F	0.538	0.80
52_F	78_P	0.537	0.80
31_C	38_L	0.535	0.80
105_L	161_E	0.531	0.79
15_R	47_D	0.531	0.79
42_L	53_T	0.531	0.79
4_G	9_A	0.530	0.79
57_I	73_G	0.523	0.78
128_A	154_Q	0.522	0.78
125_T	128_A	0.521	0.78
126_R	130_G	0.521	0.78
62_I	158_F	0.520	0.78
61_V	75_V	0.519	0.78
31_C	39_Q	0.518	0.78
106_T	117_A	0.516	0.77
30_V	61_V	0.515	0.77
138_L	141_S	0.514	0.77
56_N	71_V	0.513	0.77
28_V	79_I	0.513	0.77
5_N	183_P	0.512	0.77
77_Y	116_I	0.512	0.77
77_Y	99_T	0.512	0.77
106_T	111_A	0.511	0.77
62_I	122_P	0.511	0.77
28_V	78_P	0.507	0.76
27_A	50_S	0.506	0.76
16_F	176_Y	0.505	0.76
4_G	188_E	0.505	0.76
32_C	96_G	0.505	0.76
99_T	141_S	0.502	0.75
90_V	176_Y	0.501	0.75
14_S	21_N	0.500	0.75

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
4o1kA	4	0.8773	100	0.228	Contact Map
1ddzA	2	0.9545	100	0.233	Contact Map
4rxyA	4	0.8864	100	0.237	Contact Map
3qy1A	4	0.9091	100	0.245	Contact Map
3e3iA	6	0.8864	100	0.245	Contact Map
2w3qA	2	0.8091	100	0.246	Contact Map
3ucjA	4	0.9045	100	0.249	Contact Map
1ekjA	5	0.8864	100	0.25	Contact Map
3eyxA	2	0.8318	100	0.252	Contact Map
4o1jA	4	0.8273	100	0.257	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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