OPUAC - BACSU - GREMLIN Contacts

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OPUAC - Glycine betaine-binding protein OpuAC

UniProt:	P46922	Sequences: MLKKIIGIGVSAMLALSLAACGSENDENASAAEQVNKTIIGIDPGSGIMSLTDKAMKDYDLNDWTLISASSAAMTATLKKSYDRKKPIIITGWTPHWMFSRYKLKYLDDPKQSYGSAEEIHTITRKGFSKEQPNAAKLLSQFKWTQDEMGEIMIKVEEGEKPAKVAAEYVNKHKDQIAEWTKGVQKVKGDKINLAYVAWDSEIASTNVIGKVLEDLGYEVTLTQVEAGPMWTAIATGSADASLSAWLPNTHKAYAAKYKGKYDDIGTSMTGVKMGLVVPQYMKNVNSIEDLKK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	293 (267)
Sequences:	238 (160)
Seq/√Len:	9.8

BACSU - OPUAC

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
58_D	113_S	5.357	1.00
52_T	114_Y	5.331	1.00
152_I	208_V	3.742	0.98
134_N	187_V	3.486	0.97
137_K	141_Q	3.354	0.96
138_L	216_L	3.115	0.94
148_E	176_Q	3.058	0.93
79_K	83_D	2.873	0.90
125_R	131_E	2.699	0.87
79_K	102_Y	2.508	0.83
124_T	263_D	2.463	0.82
92_G	277_V	2.448	0.82
94_T	201_S	2.444	0.81
259_K	262_Y	2.275	0.76
179_E	260_G	2.178	0.73
129_S	136_A	2.167	0.73
128_F	136_A	2.142	0.72
151_E	173_H	2.125	0.71
255_A	262_Y	2.104	0.70
155_K	168_E	2.098	0.70
140_S	265_I	2.092	0.70
30_S	34_Q	2.073	0.69
187_V	192_I	2.045	0.68
135_A	192_I	2.029	0.67
43_D	75_T	1.978	0.65
54_K	58_D	1.916	0.63
178_A	181_T	1.862	0.60
124_T	136_A	1.852	0.60
112_Q	116_S	1.835	0.59
101_R	111_K	1.822	0.59
85_K	171_N	1.810	0.58
44_P	225_V	1.750	0.55
77_T	231_W	1.738	0.55
174_K	178_A	1.730	0.55
134_N	141_Q	1.668	0.52
43_D	226_E	1.662	0.51
134_N	218_Y	1.661	0.51
134_N	185_Q	1.649	0.51
169_Y	173_H	1.647	0.51
195_A	239_A	1.639	0.50
132_Q	192_I	1.623	0.50
160_E	168_E	1.620	0.50
35_V	114_Y	1.614	0.49
31_A	282_M	1.601	0.49
56_M	66_L	1.594	0.48
145_T	150_G	1.591	0.48
209_I	243_L	1.579	0.48
138_L	209_I	1.563	0.47
210_G	214_E	1.559	0.47
134_N	184_V	1.537	0.46
141_Q	184_V	1.533	0.46
40_I	69_A	1.503	0.44
129_S	263_D	1.502	0.44
43_D	71_S	1.502	0.44
197_V	203_I	1.483	0.43
249_N	272_V	1.476	0.43
147_D	150_G	1.469	0.43
209_I	216_L	1.447	0.42
228_G	254_Y	1.447	0.42
72_A	231_W	1.442	0.42
54_K	101_R	1.438	0.41
64_W	282_M	1.414	0.40
138_L	184_V	1.412	0.40
72_A	80_K	1.410	0.40
50_S	253_A	1.407	0.40
79_K	84_R	1.402	0.40
198_A	229_P	1.395	0.39
167_A	171_N	1.388	0.39
164_K	168_E	1.378	0.39
87_P	290_D	1.371	0.38
71_S	197_V	1.364	0.38
76_A	233_A	1.356	0.38
195_A	233_A	1.349	0.38
44_P	238_S	1.334	0.37
224_Q	228_G	1.332	0.37
269_M	272_V	1.325	0.36
48_I	114_Y	1.322	0.36
120_I	205_S	1.321	0.36
123_I	242_S	1.320	0.36
119_E	270_T	1.304	0.36
149_M	205_S	1.303	0.36
138_L	170_V	1.300	0.35
35_V	52_T	1.287	0.35
35_V	64_W	1.282	0.35
255_A	259_K	1.278	0.35
66_L	98_M	1.258	0.34
124_T	242_S	1.232	0.33
88_I	220_V	1.220	0.32
140_S	255_A	1.210	0.32
55_A	113_S	1.207	0.32
282_M	285_V	1.206	0.32
226_E	232_T	1.203	0.32
233_A	239_A	1.203	0.32
114_Y	242_S	1.197	0.31
196_Y	203_I	1.194	0.31
71_S	198_A	1.188	0.31
170_V	223_T	1.187	0.31
137_K	184_V	1.183	0.31
69_A	272_V	1.181	0.31
58_D	102_Y	1.179	0.31
85_K	108_D	1.177	0.31
179_E	182_K	1.171	0.30
192_I	239_A	1.148	0.29
128_F	268_S	1.147	0.29
75_T	226_E	1.128	0.29
121_H	264_D	1.122	0.28
124_T	128_F	1.117	0.28
64_W	87_P	1.114	0.28
210_G	222_L	1.112	0.28
32_A	64_W	1.109	0.28
173_H	176_Q	1.101	0.28
132_Q	187_V	1.095	0.27
57_K	182_K	1.090	0.27
172_K	186_K	1.089	0.27
252_K	256_A	1.087	0.27
71_S	75_T	1.086	0.27
69_A	89_I	1.085	0.27
224_Q	292_K	1.084	0.27
232_T	254_Y	1.079	0.27
197_V	227_A	1.077	0.27
211_K	214_E	1.073	0.27
194_L	202_E	1.070	0.27
229_P	232_T	1.069	0.27
75_T	227_A	1.069	0.27
199_W	246_W	1.066	0.26
265_I	268_S	1.059	0.26
181_T	206_T	1.052	0.26
124_T	241_A	1.049	0.26
198_A	203_I	1.039	0.25
191_K	221_T	1.030	0.25
233_A	253_A	1.029	0.25
227_A	251_H	1.023	0.25
38_T	67_I	1.022	0.25
56_M	113_S	1.022	0.25
108_D	130_K	1.007	0.24
149_M	201_S	1.007	0.24
171_N	174_K	1.002	0.24
84_R	280_Q	1.002	0.24
205_S	220_V	0.993	0.24
68_S	233_A	0.992	0.24
140_S	169_Y	0.987	0.24
131_E	165_V	0.982	0.24
184_V	241_A	0.975	0.23
49_M	66_L	0.965	0.23
140_S	268_S	0.954	0.23
60_D	219_E	0.954	0.23
129_S	192_I	0.950	0.23
128_F	269_M	0.940	0.22
213_L	218_Y	0.939	0.22
198_A	234_I	0.938	0.22
148_E	208_V	0.930	0.22
155_K	160_E	0.929	0.22
166_A	208_V	0.927	0.22
31_A	34_Q	0.925	0.22
128_F	131_E	0.922	0.22
83_D	130_K	0.917	0.22
118_E	250_T	0.917	0.22
49_M	63_D	0.916	0.21
135_A	187_V	0.915	0.21
198_A	235_A	0.914	0.21
69_A	84_R	0.913	0.21
193_N	223_T	0.910	0.21
124_T	209_I	0.907	0.21
45_G	180_W	0.901	0.21
184_V	211_K	0.899	0.21
113_S	128_F	0.898	0.21
46_S	200_D	0.893	0.21
55_A	166_A	0.892	0.21
34_Q	173_H	0.891	0.21
168_E	171_N	0.890	0.21
69_A	226_E	0.889	0.21
144_W	288_I	0.889	0.21
85_K	126_K	0.887	0.21
32_A	63_D	0.885	0.21
37_K	64_W	0.884	0.21
170_V	208_V	0.883	0.20
247_L	262_Y	0.875	0.20
103_K	214_E	0.872	0.20
182_K	282_M	0.869	0.20
106_Y	150_G	0.865	0.20
140_S	266_G	0.862	0.20
75_T	121_H	0.859	0.20
200_D	205_S	0.858	0.20
132_Q	190_D	0.855	0.20
249_N	274_M	0.854	0.20
48_I	225_V	0.853	0.20
100_S	251_H	0.853	0.20
76_A	272_V	0.847	0.19
149_M	244_S	0.845	0.19
49_M	196_Y	0.845	0.19
259_K	263_D	0.845	0.19
141_Q	170_V	0.844	0.19
194_L	241_A	0.837	0.19
26_D	29_A	0.834	0.19
285_V	289_E	0.832	0.19
35_V	89_I	0.827	0.19
65_T	223_T	0.824	0.19
49_M	254_Y	0.823	0.19
135_A	194_L	0.819	0.19
208_V	255_A	0.818	0.19
169_Y	265_I	0.816	0.19
43_D	198_A	0.813	0.19
60_D	193_N	0.813	0.19
124_T	234_I	0.812	0.18
34_Q	84_R	0.810	0.18
132_Q	218_Y	0.807	0.18
245_A	258_Y	0.806	0.18
43_D	282_M	0.804	0.18
55_A	201_S	0.800	0.18
56_M	103_K	0.798	0.18
27_E	219_E	0.796	0.18
28_N	137_K	0.795	0.18
103_K	116_S	0.793	0.18
259_K	273_K	0.790	0.18
161_K	292_K	0.788	0.18
66_L	97_W	0.787	0.18
260_G	282_M	0.784	0.18
85_K	188_K	0.782	0.18
147_D	187_V	0.781	0.18
198_A	231_W	0.779	0.18
52_T	55_A	0.773	0.17
124_T	140_S	0.771	0.17
228_G	232_T	0.768	0.17
146_Q	150_G	0.768	0.17
76_A	80_K	0.768	0.17
137_K	181_T	0.767	0.17
119_E	261_K	0.765	0.17
198_A	226_E	0.761	0.17
49_M	68_S	0.760	0.17
40_I	272_V	0.760	0.17
126_K	137_K	0.753	0.17
169_Y	266_G	0.753	0.17
38_T	233_A	0.749	0.17
167_A	211_K	0.748	0.17
48_I	51_L	0.747	0.17
196_Y	206_T	0.742	0.17
169_Y	176_Q	0.741	0.17
72_A	130_K	0.741	0.17
49_M	227_A	0.740	0.17
243_L	268_S	0.740	0.17
234_I	239_A	0.739	0.17
36_N	86_K	0.738	0.17
227_A	231_W	0.738	0.17
35_V	40_I	0.734	0.16
116_S	172_K	0.731	0.16
25_N	29_A	0.730	0.16
130_K	188_K	0.728	0.16
206_T	254_Y	0.723	0.16
120_I	149_M	0.720	0.16
167_A	170_V	0.717	0.16
198_A	227_A	0.716	0.16
83_D	98_M	0.716	0.16
201_S	205_S	0.716	0.16
226_E	229_P	0.714	0.16
198_A	207_N	0.712	0.16
65_T	193_N	0.709	0.16
267_T	280_Q	0.708	0.16
71_S	147_D	0.707	0.16
98_M	273_K	0.706	0.16
89_I	157_E	0.703	0.16
233_A	272_V	0.700	0.16
182_K	186_K	0.700	0.16
72_A	227_A	0.699	0.16
49_M	198_A	0.699	0.16
225_V	277_V	0.691	0.15
43_D	146_Q	0.688	0.15
131_E	192_I	0.684	0.15
142_F	204_A	0.684	0.15
53_D	68_S	0.682	0.15
113_S	274_M	0.676	0.15
237_G	251_H	0.673	0.15
179_E	215_D	0.667	0.15
44_P	48_I	0.664	0.15
101_R	108_D	0.663	0.15
37_K	239_A	0.662	0.15
98_M	188_K	0.661	0.15
44_P	157_E	0.661	0.15
37_K	40_I	0.661	0.15
235_A	264_D	0.660	0.15
131_E	166_A	0.658	0.15
69_A	82_Y	0.654	0.15
98_M	172_K	0.652	0.14
62_N	157_E	0.649	0.14
49_M	206_T	0.648	0.14
94_T	106_Y	0.645	0.14
69_A	225_V	0.642	0.14
174_K	209_I	0.641	0.14
35_V	257_K	0.637	0.14
139_L	165_V	0.635	0.14
196_Y	207_N	0.628	0.14
141_Q	178_A	0.625	0.14
185_Q	280_Q	0.624	0.14
227_A	230_M	0.620	0.14
193_N	292_K	0.617	0.14
123_I	262_Y	0.616	0.14
32_A	37_K	0.615	0.14
72_A	123_I	0.615	0.14
79_K	241_A	0.615	0.14
81_S	165_V	0.610	0.14
97_W	204_A	0.609	0.14
162_P	197_V	0.606	0.13
128_F	234_I	0.606	0.13
121_H	226_E	0.605	0.13
113_S	258_Y	0.603	0.13
197_V	229_P	0.600	0.13
51_L	274_M	0.599	0.13
164_K	173_H	0.597	0.13
97_W	142_F	0.597	0.13
53_D	56_M	0.597	0.13
246_W	266_G	0.596	0.13
31_A	124_T	0.595	0.13
170_V	177_I	0.595	0.13
36_N	183_G	0.593	0.13
33_E	63_D	0.593	0.13
114_Y	276_L	0.593	0.13
243_L	269_M	0.592	0.13
45_G	120_I	0.591	0.13
126_K	171_N	0.591	0.13
71_S	227_A	0.590	0.13
44_P	83_D	0.589	0.13
57_K	186_K	0.589	0.13
60_D	192_I	0.588	0.13
97_W	102_Y	0.587	0.13
255_A	260_G	0.585	0.13
48_I	274_M	0.584	0.13
141_Q	183_G	0.581	0.13
112_Q	261_K	0.581	0.13
111_K	151_E	0.580	0.13
209_I	242_S	0.578	0.13
210_G	229_P	0.578	0.13
186_K	216_L	0.577	0.13
170_V	201_S	0.575	0.13
60_D	158_E	0.574	0.13
149_M	226_E	0.573	0.13
52_T	276_L	0.571	0.13
120_I	273_K	0.571	0.13
196_Y	222_L	0.567	0.13
43_D	121_H	0.567	0.13
134_N	137_K	0.566	0.13
220_V	271_G	0.564	0.13
56_M	130_K	0.563	0.13
65_T	190_D	0.561	0.13
124_T	243_L	0.558	0.13
67_I	76_A	0.557	0.12
202_E	243_L	0.555	0.12
243_L	272_V	0.555	0.12
182_K	286_N	0.549	0.12
36_N	286_N	0.548	0.12
58_D	111_K	0.546	0.12
40_I	154_I	0.544	0.12
75_T	198_A	0.544	0.12
43_D	227_A	0.544	0.12
225_V	238_S	0.544	0.12
148_E	177_I	0.542	0.12
33_E	175_D	0.542	0.12
32_A	226_E	0.540	0.12
156_V	159_G	0.540	0.12
51_L	226_E	0.539	0.12
40_I	185_Q	0.538	0.12
56_M	175_D	0.537	0.12
26_D	234_I	0.535	0.12
34_Q	249_N	0.535	0.12
123_I	186_K	0.535	0.12
187_V	190_D	0.534	0.12
89_I	224_Q	0.534	0.12
137_K	218_Y	0.532	0.12
89_I	105_K	0.531	0.12
102_Y	157_E	0.531	0.12
48_I	52_T	0.531	0.12
84_R	292_K	0.529	0.12
140_S	269_M	0.529	0.12
93_W	246_W	0.528	0.12
117_A	152_I	0.528	0.12
144_W	202_E	0.526	0.12
175_D	286_N	0.526	0.12
228_G	237_G	0.524	0.12
106_Y	273_K	0.524	0.12
116_S	274_M	0.524	0.12
85_K	182_K	0.523	0.12
71_S	285_V	0.517	0.12
141_Q	192_I	0.515	0.12
126_K	261_K	0.513	0.12
92_G	153_M	0.513	0.12
230_M	244_S	0.511	0.12
141_Q	211_K	0.511	0.12
45_G	93_W	0.509	0.12
144_W	166_A	0.509	0.12
40_I	67_I	0.508	0.12
27_E	280_Q	0.508	0.12
146_Q	196_Y	0.508	0.12
83_D	90_I	0.508	0.12
64_W	216_L	0.506	0.12
48_I	152_I	0.506	0.12
197_V	207_N	0.504	0.11
176_Q	285_V	0.503	0.11
37_K	87_P	0.502	0.11
196_Y	204_A	0.502	0.11
267_T	292_K	0.501	0.11
143_K	221_T	0.501	0.11
185_Q	192_I	0.500	0.11

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
2b4lA	1	0.9147	100	0.49	Contact Map
1r9lA	1	0.6451	100	0.798	Contact Map
4ne4A	1	0.6007	99.9	0.815	Contact Map
3o66A	1	0.5734	99.9	0.817	Contact Map
2rinA	1	0.686	99.9	0.823	Contact Map
3l6gA	1	0.6246	99.9	0.829	Contact Map
3r6uA	1	0.5734	99.9	0.841	Contact Map
3tmgA	1	0.6348	99.8	0.851	Contact Map
1sw5A	1	0.5836	99.8	0.858	Contact Map
1p99A	1	0.3242	98.8	0.919	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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