YTIB - BACSU - GREMLIN Contacts

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YTIB - Putative carbonic anhydrase YtiB

UniProt:	O34872	Sequences: MSLLNDILEFNKTFTEQREYEKYQTSKFPDKKMAILSCMDTRLVELLPHAMNLRNGDVKIIKSAGALVTHPFGSIMRSILVAVYELNADEVCVIGHHDCGMSKISSKSMLEKIKARGIPEERIETIKYSGVDFDQWFKSFDSVEASVKDSVDVIKHHPLFPENVPVHGLVIDPKTGKLDLIVNGYNN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	187 (173)
Sequences:	5124 (3303)
Seq/√Len:	251.1

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
147_V	168_G	3.875	1.00
32_K	89_D	3.724	1.00
34_A	79_I	2.877	1.00
151_V	168_G	2.863	1.00
119_P	122_R	2.607	1.00
144_E	179_D	2.556	1.00
151_V	166_V	2.496	1.00
5_N	9_E	2.456	1.00
65_G	101_M	2.302	1.00
90_E	167_H	2.227	1.00
64_A	78_S	2.149	1.00
143_V	170_V	2.112	1.00
97_H	170_V	2.090	1.00
12_K	16_E	2.005	1.00
12_K	177_K	1.971	1.00
9_E	13_T	1.809	1.00
103_K	107_K	1.802	1.00
80_L	84_Y	1.792	1.00
127_K	130_G	1.768	1.00
169_L	178_L	1.760	1.00
8_L	180_L	1.759	1.00
66_A	146_S	1.729	1.00
98_D	174_K	1.725	1.00
172_D	179_D	1.707	1.00
103_K	139_S	1.676	1.00
34_A	88_A	1.659	1.00
76_M	157_H	1.633	1.00
13_T	17_Q	1.628	1.00
90_E	165_P	1.612	1.00
93_V	154_I	1.555	1.00
158_P	161_P	1.550	1.00
44_V	48_P	1.549	1.00
13_T	52_N	1.541	1.00
144_E	170_V	1.511	1.00
172_D	175_T	1.510	1.00
145_A	149_D	1.500	1.00
119_P	123_I	1.492	1.00
9_E	12_K	1.485	1.00
122_R	126_I	1.479	1.00
29_P	41_T	1.466	1.00
39_M	59_K	1.443	1.00
119_P	125_T	1.435	1.00
145_A	148_K	1.430	1.00
51_M	58_V	1.402	1.00
53_L	58_V	1.394	1.00
120_E	124_E	1.373	1.00
11_N	15_T	1.361	1.00
118_I	122_R	1.339	1.00
118_I	123_I	1.325	1.00
61_I	78_S	1.285	1.00
21_E	24_Q	1.271	1.00
79_I	154_I	1.264	1.00
69_T	74_S	1.255	1.00
81_V	85_E	1.250	1.00
68_V	75_I	1.247	1.00
119_P	126_I	1.244	1.00
118_I	126_I	1.237	1.00
10_F	52_N	1.230	1.00
122_R	125_T	1.226	1.00
128_Y	131_V	1.225	1.00
94_I	169_L	1.222	1.00
35_I	94_I	1.207	1.00
97_H	172_D	1.198	1.00
34_A	78_S	1.193	1.00
83_V	160_F	1.188	1.00
127_K	131_V	1.168	1.00
76_M	154_I	1.167	1.00
33_M	92_C	1.163	1.00
153_V	156_H	1.152	1.00
147_V	151_V	1.147	1.00
66_A	95_G	1.147	1.00
120_E	126_I	1.144	1.00
113_I	116_R	1.141	1.00
155_K	166_V	1.137	1.00
37_S	43_L	1.121	1.00
82_A	88_A	1.076	1.00
29_P	100_G	1.075	1.00
160_F	164_V	1.072	1.00
157_H	161_P	1.067	1.00
92_C	169_L	1.060	1.00
22_K	25_T	1.058	1.00
36_L	68_V	1.057	1.00
34_A	91_V	1.044	1.00
169_L	180_L	1.042	1.00
35_I	51_M	1.041	1.00
120_E	123_I	1.039	1.00
15_T	177_K	1.036	1.00
10_F	14_F	1.031	1.00
83_V	164_V	1.022	1.00
121_E	124_E	1.019	1.00
83_V	91_V	1.002	1.00
117_G	123_I	0.999	1.00
118_I	121_E	0.993	1.00
117_G	121_E	0.981	1.00
87_N	163_N	0.981	1.00
111_E	114_K	0.979	1.00
106_S	142_S	0.972	1.00
97_H	173_P	0.962	1.00
63_S	66_A	0.957	1.00
83_V	88_A	0.955	1.00
51_M	94_I	0.954	1.00
98_D	103_K	0.944	1.00
149_D	152_D	0.934	1.00
117_G	120_E	0.922	1.00
95_G	147_V	0.922	1.00
107_K	111_E	0.914	1.00
148_K	181_I	0.912	1.00
157_H	163_N	0.910	1.00
75_I	79_I	0.907	1.00
10_F	13_T	0.904	1.00
45_E	48_P	0.903	1.00
28_F	98_D	0.903	1.00
111_E	115_A	0.902	1.00
159_L	162_E	0.899	1.00
146_S	150_S	0.896	1.00
134_D	137_F	0.892	1.00
7_I	51_M	0.886	1.00
81_V	100_G	0.882	1.00
102_S	143_V	0.877	1.00
118_I	125_T	0.874	1.00
147_V	170_V	0.873	1.00
140_F	143_V	0.867	0.99
132_D	135_Q	0.865	0.99
140_F	144_E	0.863	0.99
23_Y	27_K	0.858	0.99
154_I	166_V	0.857	0.99
123_I	126_I	0.846	0.99
158_P	163_N	0.845	0.99
160_F	163_N	0.844	0.99
144_E	148_K	0.842	0.99
6_D	10_F	0.841	0.99
114_K	120_E	0.839	0.99
175_T	179_D	0.838	0.99
120_E	125_T	0.834	0.99
37_S	94_I	0.831	0.99
129_S	132_D	0.830	0.99
33_M	58_V	0.829	0.99
95_G	146_S	0.824	0.99
139_S	143_V	0.823	0.99
83_V	163_N	0.822	0.99
45_E	49_H	0.817	0.99
36_L	79_I	0.815	0.99
110_L	114_K	0.814	0.99
148_K	168_G	0.808	0.99
92_C	167_H	0.807	0.99
29_P	59_K	0.806	0.99
107_K	135_Q	0.799	0.99
39_M	86_L	0.796	0.99
35_I	58_V	0.790	0.99
53_L	57_D	0.787	0.99
167_H	180_L	0.783	0.99
130_G	133_F	0.779	0.99
59_K	82_A	0.777	0.99
15_T	19_E	0.775	0.99
136_W	140_F	0.773	0.99
116_R	158_P	0.770	0.99
141_D	145_A	0.766	0.99
68_V	150_S	0.766	0.99
64_A	101_M	0.765	0.99
67_L	150_S	0.750	0.99
69_T	75_I	0.749	0.99
121_E	126_I	0.743	0.98
106_S	139_S	0.740	0.98
44_V	50_A	0.738	0.98
39_M	61_I	0.737	0.98
6_D	9_E	0.734	0.98
135_Q	138_K	0.730	0.98
132_D	138_K	0.727	0.98
51_M	169_L	0.726	0.98
130_G	134_D	0.722	0.98
35_I	45_E	0.718	0.98
136_W	141_D	0.714	0.98
4_L	90_E	0.713	0.98
25_T	55_N	0.713	0.98
117_G	122_R	0.709	0.98
41_T	59_K	0.706	0.98
74_S	77_R	0.705	0.98
119_P	124_E	0.704	0.98
149_D	153_V	0.703	0.98
152_D	156_H	0.702	0.98
44_V	60_I	0.699	0.98
128_Y	132_D	0.695	0.98
61_I	75_I	0.692	0.98
84_Y	163_N	0.687	0.97
64_A	100_G	0.684	0.97
30_D	87_N	0.684	0.97
34_A	82_A	0.683	0.97
152_D	155_K	0.670	0.97
26_S	30_D	0.654	0.97
33_M	89_D	0.654	0.97
11_N	178_L	0.652	0.96
13_T	16_E	0.650	0.96
36_L	63_S	0.650	0.96
17_Q	20_Y	0.646	0.96
102_S	105_S	0.637	0.96
112_K	115_A	0.625	0.96
18_R	21_E	0.623	0.95
67_L	146_S	0.617	0.95
8_L	12_K	0.617	0.95
37_S	44_V	0.616	0.95
102_S	142_S	0.611	0.95
97_H	174_K	0.607	0.95
37_S	45_E	0.606	0.95
63_S	74_S	0.605	0.95
21_E	25_T	0.602	0.95
140_F	170_V	0.602	0.95
84_Y	159_L	0.601	0.94
50_A	178_L	0.600	0.94
48_P	53_L	0.599	0.94
43_L	50_A	0.595	0.94
137_F	140_F	0.594	0.94
158_P	162_E	0.593	0.94
48_P	58_V	0.593	0.94
28_F	41_T	0.588	0.94
151_V	155_K	0.586	0.94
133_F	136_W	0.584	0.94
170_V	179_D	0.582	0.94
103_K	106_S	0.580	0.93
8_L	178_L	0.579	0.93
59_K	81_V	0.575	0.93
84_Y	162_E	0.574	0.93
4_L	169_L	0.574	0.93
39_M	64_A	0.574	0.93
22_K	26_S	0.572	0.93
34_A	61_I	0.572	0.93
124_E	127_K	0.568	0.93
19_E	22_K	0.567	0.93
74_S	88_A	0.564	0.92
23_Y	26_S	0.564	0.92
108_S	111_E	0.562	0.92
33_M	90_E	0.557	0.92
38_C	99_C	0.555	0.92
10_F	15_T	0.554	0.92
82_A	86_L	0.553	0.92
66_A	150_S	0.553	0.92
6_D	32_K	0.544	0.91
100_G	104_I	0.543	0.91
59_K	88_A	0.542	0.91
106_S	138_K	0.540	0.91
121_E	125_T	0.537	0.90
118_I	124_E	0.537	0.90
4_L	180_L	0.537	0.90
54_R	57_D	0.537	0.90
93_V	151_V	0.535	0.90
63_S	75_I	0.531	0.90
68_V	153_V	0.531	0.90
105_S	123_I	0.528	0.90
140_F	172_D	0.522	0.89
56_G	86_L	0.519	0.89
96_H	99_C	0.519	0.89
49_H	55_N	0.515	0.89
7_I	33_M	0.515	0.89
45_E	55_N	0.515	0.89
45_E	60_I	0.509	0.88
138_K	142_S	0.507	0.88
22_K	55_N	0.506	0.88
77_R	101_M	0.503	0.87
125_T	129_S	0.503	0.87
64_A	77_R	0.502	0.87
51_M	178_L	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	0.9733	100	0.109	Contact Map
1ddzA	2	0.9626	100	0.114	Contact Map
3e3iA	6	0.9412	100	0.116	Contact Map
3qy1A	4	0.9572	100	0.118	Contact Map
4rxyA	4	0.9519	100	0.118	Contact Map
3ucjA	4	0.9626	100	0.124	Contact Map
4o1kA	4	0.9626	100	0.126	Contact Map
1ekjA	5	0.9893	100	0.131	Contact Map
4o1jA	4	0.9626	100	0.132	Contact Map
1ym3A	2	0.9251	100	0.132	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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