TRPG - HALSA - GREMLIN Contacts

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TRPG - Anthranilate synthase component 2

UniProt:	Q9HPG6	Sequences: MNVVVVDNYDSFTYNLVEYLSAQPRDDHAPDVTVLKNTASLAAVRAADPDAVVISPGPGHPDTPRDVGVTTDVLRAVSPRVPTLGVCLGMEAAVHEYGGTVGRAAEPMHGKTTPVSHDETGIFADIQQDFPAARYHSLVCTSIPSCFAVTATTRDGSLPMAIRHRDHPLACVQFHPESVLTGVGHDVIGNFLDAAAAH	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	198 (179)
Sequences:	12288 (7092)
Seq/√Len:	530.1

ECOLI - TRPGD PABA GUAA CARA
BACSU - PABA GUAA CARA CARX
HALSA - TRPG GUAAA CARA Q9HMK6
SULSO - GUAAA TRPG CARA Q97X97

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
94_V	140_C	3.155	1.00
93_A	169_L	2.819	1.00
23_Q	189_G	2.369	1.00
127_Q	183_V	2.343	1.00
20_L	53_V	2.335	1.00
148_A	165_R	2.327	1.00
150_T	163_R	2.319	1.00
4_V	35_L	2.290	1.00
94_V	162_I	2.276	1.00
148_A	163_R	2.275	1.00
164_H	167_H	2.274	1.00
22_A	185_H	2.251	1.00
40_S	43_A	2.236	1.00
183_V	186_D	1.966	1.00
151_A	161_A	1.920	1.00
100_T	142_S	1.915	1.00
5_V	17_V	1.894	1.00
19_Y	185_H	1.865	1.00
131_P	182_G	1.862	1.00
120_T	163_R	1.847	1.00
71_T	96_E	1.819	1.00
90_M	171_C	1.806	1.00
130_F	183_V	1.787	1.00
164_H	168_P	1.781	1.00
74_L	92_A	1.741	1.00
65_R	95_H	1.738	1.00
8_N	54_I	1.716	1.00
35_L	39_A	1.673	1.00
102_G	139_V	1.620	1.00
186_D	189_G	1.617	1.00
189_G	193_D	1.603	1.00
71_T	95_H	1.588	1.00
146_C	166_D	1.562	1.00
162_I	171_C	1.532	1.00
149_V	152_T	1.500	1.00
72_D	76_A	1.494	1.00
126_I	130_F	1.483	1.00
33_T	47_A	1.463	1.00
60_H	65_R	1.455	1.00
72_D	75_R	1.444	1.00
43_A	46_A	1.429	1.00
109_H	137_S	1.420	1.00
163_R	170_A	1.417	1.00
140_C	162_I	1.412	1.00
3_V	51_A	1.387	1.00
71_T	75_R	1.380	1.00
5_V	53_V	1.365	1.00
114_P	129_D	1.354	1.00
93_A	171_C	1.344	1.00
30_P	192_L	1.340	1.00
45_R	80_R	1.339	1.00
16_L	86_V	1.338	1.00
45_R	76_A	1.332	1.00
54_I	70_T	1.311	1.00
146_C	165_R	1.301	1.00
113_T	129_D	1.298	1.00
39_A	43_A	1.293	1.00
97_Y	169_L	1.285	1.00
51_A	191_F	1.279	1.00
67_V	92_A	1.262	1.00
90_M	140_C	1.259	1.00
123_F	161_A	1.259	1.00
114_P	131_P	1.258	1.00
102_G	141_T	1.237	1.00
124_A	194_A	1.236	1.00
94_V	99_G	1.231	1.00
75_R	96_E	1.230	1.00
53_V	84_L	1.224	1.00
120_T	150_T	1.216	1.00
9_Y	38_T	1.208	1.00
147_F	162_I	1.171	1.00
130_F	187_V	1.169	1.00
23_Q	188_I	1.142	1.00
147_F	164_H	1.139	1.00
143_I	149_V	1.138	1.00
16_L	188_I	1.136	1.00
118_D	152_T	1.135	1.00
73_V	76_A	1.130	1.00
33_T	49_P	1.127	1.00
170_A	194_A	1.103	1.00
101_V	140_C	1.094	1.00
19_Y	22_A	1.074	1.00
118_D	148_A	1.059	1.00
78_S	167_H	1.043	1.00
112_T	131_P	1.035	1.00
90_M	162_I	1.033	1.00
3_V	30_P	1.030	1.00
104_A	139_V	1.012	1.00
116_S	152_T	1.005	1.00
84_L	172_V	1.003	1.00
42_A	46_A	0.996	1.00
41_L	45_R	0.995	1.00
99_G	144_P	0.993	1.00
80_R	167_H	0.992	1.00
17_V	21_S	0.987	1.00
4_V	44_V	0.982	1.00
94_V	144_P	0.975	1.00
121_G	163_R	0.975	1.00
146_C	164_H	0.972	1.00
78_S	169_L	0.972	1.00
23_Q	185_H	0.971	1.00
105_A	157_S	0.970	1.00
165_R	168_P	0.969	1.00
115_V	132_A	0.968	1.00
97_Y	147_F	0.964	1.00
37_N	68_G	0.964	1.00
39_A	47_A	0.961	1.00
87_C	175_H	0.961	1.00
45_R	77_V	0.960	1.00
70_T	92_A	0.960	1.00
15_N	18_E	0.957	1.00
116_S	154_R	0.957	1.00
54_I	83_T	0.954	1.00
8_N	70_T	0.950	1.00
115_V	129_D	0.944	1.00
59_G	66_D	0.940	1.00
52_V	81_V	0.920	1.00
149_V	158_L	0.913	1.00
143_I	158_L	0.911	1.00
18_E	21_S	0.908	1.00
67_V	70_T	0.894	1.00
51_A	192_L	0.894	1.00
86_V	172_V	0.892	1.00
117_H	152_T	0.886	1.00
174_F	187_V	0.883	1.00
6_V	73_V	0.882	1.00
5_V	12_F	0.876	1.00
52_V	73_V	0.868	1.00
39_A	44_V	0.867	1.00
42_A	45_R	0.865	1.00
4_V	47_A	0.865	1.00
79_P	167_H	0.864	1.00
45_R	81_V	0.862	1.00
132_A	181_T	0.857	1.00
4_V	49_P	0.852	1.00
77_V	83_T	0.846	1.00
127_Q	182_G	0.845	1.00
6_V	35_L	0.843	1.00
41_L	76_A	0.842	1.00
21_S	32_V	0.839	1.00
103_R	107_P	0.835	1.00
123_F	174_F	0.833	1.00
60_H	66_D	0.832	1.00
150_T	161_A	0.828	1.00
23_Q	192_L	0.825	1.00
126_I	183_V	0.822	1.00
67_V	71_T	0.812	1.00
190_N	194_A	0.809	1.00
117_H	129_D	0.809	1.00
8_N	37_N	0.806	1.00
44_V	49_P	0.803	1.00
121_G	170_A	0.803	1.00
35_L	43_A	0.798	1.00
172_V	176_P	0.793	1.00
113_T	131_P	0.789	1.00
116_S	129_D	0.789	1.00
151_A	174_F	0.787	1.00
9_Y	36_K	0.782	1.00
127_Q	130_F	0.778	1.00
78_S	97_Y	0.772	1.00
71_T	92_A	0.770	1.00
42_A	76_A	0.761	1.00
99_G	142_S	0.760	1.00
134_R	160_M	0.759	1.00
20_L	30_P	0.759	1.00
60_H	138_L	0.758	1.00
120_T	148_A	0.756	1.00
87_C	91_E	0.756	1.00
118_D	150_T	0.755	1.00
75_R	78_S	0.755	1.00
150_T	170_A	0.750	1.00
20_L	188_I	0.748	1.00
69_V	72_D	0.746	1.00
153_T	157_S	0.746	1.00
163_R	190_N	0.742	1.00
73_V	77_V	0.741	1.00
3_V	20_L	0.735	1.00
30_P	51_A	0.733	1.00
74_L	83_T	0.731	1.00
14_Y	17_V	0.722	1.00
23_Q	29_A	0.720	1.00
20_L	192_L	0.720	1.00
12_F	17_V	0.711	1.00
5_V	20_L	0.710	1.00
57_G	88_L	0.707	1.00
65_R	100_T	0.702	1.00
124_A	186_D	0.692	1.00
139_V	157_S	0.691	1.00
6_V	44_V	0.690	1.00
120_T	170_A	0.688	1.00
106_E	155_D	0.682	1.00
13_T	34_V	0.679	1.00
122_I	170_A	0.678	1.00
49_P	81_V	0.678	1.00
170_A	191_F	0.677	1.00
185_H	189_G	0.677	1.00
60_H	103_R	0.676	1.00
70_T	75_R	0.672	1.00
29_A	32_V	0.671	1.00
53_V	191_F	0.671	1.00
124_A	184_G	0.670	1.00
107_P	137_S	0.670	1.00
99_G	140_C	0.666	1.00
35_L	47_A	0.651	1.00
152_T	156_G	0.649	1.00
97_Y	167_H	0.646	1.00
115_V	152_T	0.645	1.00
15_N	19_Y	0.640	1.00
7_D	13_T	0.640	1.00
97_Y	164_H	0.637	1.00
101_V	138_L	0.634	1.00
70_T	73_V	0.634	1.00
126_I	186_D	0.629	1.00
17_V	34_V	0.628	1.00
77_V	81_V	0.623	1.00
6_V	39_A	0.620	1.00
52_V	83_T	0.620	1.00
48_D	81_V	0.620	1.00
125_D	190_N	0.607	1.00
130_F	182_G	0.604	1.00
125_D	186_D	0.604	1.00
66_D	70_T	0.602	1.00
41_L	77_V	0.598	1.00
95_H	100_T	0.598	1.00
13_T	55_S	0.596	1.00
164_H	169_L	0.595	1.00
152_T	157_S	0.592	0.99
60_H	95_H	0.586	0.99
4_V	33_T	0.582	0.99
5_V	13_T	0.581	0.99
65_R	71_T	0.578	0.99
142_S	145_S	0.576	0.99
18_E	22_A	0.576	0.99
83_T	93_A	0.575	0.99
172_V	187_V	0.564	0.99
153_T	156_G	0.562	0.99
126_I	187_V	0.559	0.99
135_Y	138_L	0.556	0.99
76_A	79_P	0.552	0.99
41_L	73_V	0.550	0.99
109_H	135_Y	0.547	0.99
69_V	73_V	0.545	0.99
145_S	165_R	0.543	0.99
91_E	173_Q	0.542	0.99
108_M	153_T	0.539	0.99
79_P	83_T	0.539	0.99
60_H	101_V	0.537	0.99
147_F	169_L	0.535	0.99
5_V	32_V	0.534	0.99
139_V	156_G	0.533	0.99
174_F	184_G	0.527	0.99
119_E	190_N	0.527	0.99
39_A	42_A	0.523	0.99
108_M	111_K	0.522	0.99
190_N	193_D	0.522	0.99
189_G	192_L	0.521	0.99
5_V	55_S	0.519	0.99
8_N	92_A	0.515	0.99
4_V	39_A	0.513	0.99
84_L	187_V	0.513	0.99
19_Y	188_I	0.512	0.99
118_D	163_R	0.512	0.99
66_D	69_V	0.512	0.99
124_A	193_D	0.508	0.98
59_G	65_R	0.507	0.98
44_V	52_V	0.504	0.98
51_A	84_L	0.502	0.98
67_V	73_V	0.500	0.98

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
3tqiA	3	0.8838	100	0.209	Contact Map
2ywbA	4	0.9293	100	0.221	Contact Map
1gpmA	3	0.9545	100	0.224	Contact Map
2vxoA	2	0.9343	100	0.232	Contact Map
3uowA	2	0.9646	100	0.255	Contact Map
1qdlB	2	0.9545	100	0.282	Contact Map
1i1qB	1	0.9192	100	0.292	Contact Map
3r75A	2	0.9394	100	0.303	Contact Map
1a9xB	1	0.9141	100	0.304	Contact Map
2vpiA	1	0.904	100	0.304	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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