PABA - BACSU - GREMLIN Contacts

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PABA - Aminodeoxychorismate/anthranilate synthase component 2

UniProt:	P28819	Sequences: MILMIDNYDSFTYNLVQYLGELGEELVVKRNDSITIDEIEELSPDFLMISPGPCSPDEAGISLEAIKHFAGKIPIFGVCLGHQSIAQVFGGDVVRAERLMHGKTSDIEHDGKTIFEGLKNPLVATRYHSLIVKPETLPSCFTVTAQTKEGEIMAIRHNDLPIEGVQFHPESIMTSFGKEMLRNFIETYRKEVIA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	194 (176)
Sequences:	12374 (6925)
Seq/√Len:	522.0

ECOLI - PABA TRPGD GUAA CARA PUUD
BACSU - PABA GUAA CARX CARA
HALSA - TRPG GUAAA CARA Q9HMK6
SULSO - TRPG GUAAA 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
86_A	132_V	2.985	1.00
94_V	133_K	2.975	1.00
85_I	162_I	2.555	1.00
119_K	176_F	2.526	1.00
92_D	133_K	2.343	1.00
144_T	156_R	2.263	1.00
19_L	48_M	2.253	1.00
157_H	160_L	2.222	1.00
142_T	156_R	2.205	1.00
57_D	87_Q	2.203	1.00
86_A	155_I	2.195	1.00
3_L	29_K	2.180	1.00
21_E	178_K	2.171	1.00
142_T	158_N	2.161	1.00
143_V	152_I	2.129	1.00
35_T	38_E	2.123	1.00
22_L	182_R	2.123	1.00
63_L	88_V	2.026	1.00
92_D	136_T	1.973	1.00
66_I	84_S	1.970	1.00
63_L	87_Q	1.910	1.00
176_F	179_E	1.899	1.00
4_M	16_V	1.878	1.00
145_A	154_A	1.854	1.00
18_Y	178_K	1.850	1.00
82_H	164_G	1.779	1.00
46_F	188_Y	1.726	1.00
112_K	156_R	1.718	1.00
133_K	136_T	1.717	1.00
7_N	49_I	1.665	1.00
157_H	161_P	1.642	1.00
27_V	42_L	1.626	1.00
29_K	34_I	1.596	1.00
182_R	186_E	1.572	1.00
179_E	182_R	1.559	1.00
140_C	159_D	1.517	1.00
94_V	131_I	1.514	1.00
143_V	146_Q	1.496	1.00
155_I	164_G	1.477	1.00
38_E	41_E	1.448	1.00
97_E	151_E	1.413	1.00
132_V	155_I	1.403	1.00
101_H	129_S	1.376	1.00
30_R	33_S	1.375	1.00
40_E	68_H	1.372	1.00
15_L	78_V	1.368	1.00
4_M	48_M	1.357	1.00
116_E	187_T	1.327	1.00
156_R	163_E	1.325	1.00
49_I	62_S	1.317	1.00
85_I	164_G	1.315	1.00
67_K	70_A	1.307	1.00
40_E	72_K	1.307	1.00
89_F	162_I	1.283	1.00
140_C	158_N	1.270	1.00
46_F	184_F	1.260	1.00
64_E	67_K	1.259	1.00
86_A	91_G	1.258	1.00
24_E	185_I	1.245	1.00
34_I	38_E	1.244	1.00
48_M	76_F	1.230	1.00
82_H	132_V	1.220	1.00
131_I	151_E	1.220	1.00
141_F	155_I	1.212	1.00
57_D	92_D	1.192	1.00
27_V	44_P	1.187	1.00
112_K	144_T	1.183	1.00
7_N	62_S	1.177	1.00
64_E	68_H	1.157	1.00
141_F	157_H	1.153	1.00
59_A	84_S	1.144	1.00
115_F	154_A	1.143	1.00
146_Q	150_G	1.126	1.00
2_I	46_F	1.121	1.00
70_A	160_L	1.107	1.00
110_D	142_T	1.072	1.00
163_E	187_T	1.065	1.00
137_L	143_V	1.065	1.00
36_I	40_E	1.062	1.00
86_A	138_P	1.062	1.00
2_I	188_Y	1.051	1.00
18_Y	21_E	1.047	1.00
110_D	146_Q	1.040	1.00
183_N	187_T	1.038	1.00
108_E	146_Q	1.036	1.00
140_C	157_H	1.028	1.00
47_L	65_A	1.023	1.00
82_H	155_I	1.022	1.00
96_A	131_I	1.022	1.00
15_L	181_L	1.019	1.00
93_V	132_V	1.018	1.00
113_T	156_R	0.998	1.00
5_I	65_A	0.975	1.00
16_V	20_G	0.973	1.00
72_K	160_L	0.973	1.00
34_I	42_L	0.972	1.00
76_F	165_V	0.969	1.00
47_L	73_I	0.967	1.00
158_N	161_P	0.965	1.00
3_L	42_L	0.962	1.00
37_D	41_E	0.960	1.00
3_L	39_I	0.956	1.00
67_K	88_V	0.953	1.00
49_I	75_I	0.946	1.00
65_A	69_F	0.943	1.00
79_C	168_H	0.941	1.00
109_H	146_Q	0.940	1.00
89_F	141_F	0.938	1.00
14_N	17_Q	0.934	1.00
34_I	39_I	0.930	1.00
118_L	176_F	0.922	1.00
37_D	40_E	0.921	1.00
2_I	24_E	0.914	1.00
22_L	181_L	0.913	1.00
70_A	162_I	0.908	1.00
55_S	58_E	0.903	1.00
119_K	175_S	0.894	1.00
4_M	11_F	0.887	1.00
54_C	58_E	0.884	1.00
91_G	136_T	0.882	1.00
37_D	68_H	0.881	1.00
20_G	26_L	0.880	1.00
167_F	180_M	0.878	1.00
91_G	138_P	0.876	1.00
78_V	165_V	0.874	1.00
98_R	149_E	0.873	1.00
137_L	152_I	0.872	1.00
8_Y	30_R	0.863	1.00
40_E	71_G	0.863	1.00
65_A	68_H	0.861	1.00
147_T	151_E	0.851	1.00
66_I	75_I	0.846	1.00
17_Q	20_G	0.843	1.00
29_K	38_E	0.842	1.00
95_R	99_L	0.841	1.00
105_S	148_K	0.840	1.00
113_T	163_E	0.838	1.00
59_A	62_S	0.836	1.00
145_A	167_F	0.836	1.00
5_I	29_K	0.832	1.00
59_A	63_L	0.830	1.00
115_F	167_F	0.820	1.00
71_G	160_L	0.816	1.00
22_L	185_I	0.813	1.00
22_L	178_K	0.809	1.00
46_F	185_I	0.807	1.00
3_L	44_P	0.807	1.00
69_F	75_I	0.802	1.00
19_L	24_E	0.799	1.00
112_K	142_T	0.796	1.00
165_V	169_P	0.788	1.00
63_L	84_S	0.788	1.00
36_I	68_H	0.785	1.00
63_L	67_K	0.782	1.00
40_E	73_I	0.779	1.00
7_N	31_N	0.778	1.00
144_T	154_A	0.771	1.00
29_K	42_L	0.766	1.00
57_D	93_V	0.763	1.00
79_C	83_Q	0.758	1.00
69_F	73_I	0.758	1.00
39_I	44_P	0.752	1.00
4_M	19_L	0.746	1.00
11_F	16_V	0.736	1.00
107_I	146_Q	0.736	1.00
23_G	26_L	0.736	1.00
36_I	65_A	0.723	1.00
89_F	157_H	0.720	1.00
5_I	39_I	0.718	1.00
126_R	153_M	0.718	1.00
114_I	163_E	0.718	1.00
31_N	60_G	0.717	1.00
118_L	179_E	0.715	1.00
116_E	177_G	0.713	1.00
6_D	12_T	0.712	1.00
110_D	144_T	0.707	1.00
68_H	71_G	0.707	1.00
19_L	181_L	0.706	1.00
91_G	132_V	0.704	1.00
89_F	160_L	0.702	1.00
19_L	185_I	0.701	1.00
24_E	46_F	0.700	1.00
13_Y	16_V	0.700	1.00
144_T	163_E	0.699	1.00
163_E	184_F	0.697	1.00
66_I	88_V	0.692	1.00
156_R	183_N	0.691	1.00
66_I	70_A	0.689	1.00
57_D	63_L	0.689	1.00
116_E	179_E	0.682	1.00
55_S	95_R	0.681	1.00
55_S	130_L	0.675	1.00
61_I	64_E	0.670	1.00
118_L	180_M	0.670	1.00
47_L	75_I	0.667	1.00
48_M	184_F	0.666	1.00
178_K	182_R	0.665	1.00
99_L	129_S	0.662	1.00
38_E	42_L	0.662	1.00
112_K	163_E	0.659	1.00
44_P	73_I	0.650	1.00
117_G	183_N	0.649	1.00
12_T	28_V	0.649	1.00
12_T	50_S	0.648	1.00
43_S	73_I	0.643	1.00
14_N	18_Y	0.628	1.00
108_E	148_K	0.621	1.00
55_S	87_Q	0.620	1.00
157_H	162_I	0.619	1.00
62_S	84_S	0.619	1.00
52_G	80_L	0.618	1.00
87_Q	92_D	0.608	1.00
16_V	28_V	0.607	1.00
4_M	26_L	0.606	1.00
117_G	179_E	0.597	0.99
54_C	57_D	0.597	0.99
165_V	180_M	0.596	0.99
93_V	130_L	0.596	0.99
64_E	69_F	0.594	0.99
17_Q	21_E	0.592	0.99
61_I	65_A	0.590	0.99
3_L	27_V	0.590	0.99
101_H	127_Y	0.587	0.99
5_I	34_I	0.584	0.99
167_F	177_G	0.582	0.99
76_F	180_M	0.581	0.99
18_Y	181_L	0.580	0.99
100_M	147_T	0.572	0.99
4_M	12_T	0.571	0.99
2_I	19_L	0.564	0.99
31_N	62_S	0.563	0.99
136_T	139_S	0.562	0.99
4_M	50_S	0.558	0.99
182_R	185_I	0.554	0.99
127_Y	130_L	0.553	0.99
70_A	89_F	0.553	0.99
175_S	178_K	0.551	0.99
110_D	156_R	0.550	0.99
75_I	85_I	0.545	0.99
115_F	145_A	0.538	0.99
96_A	151_E	0.537	0.99
111_G	156_R	0.533	0.99
7_N	84_S	0.531	0.99
76_F	163_E	0.530	0.99
185_I	188_Y	0.528	0.99
83_Q	166_Q	0.524	0.99
111_G	183_N	0.523	0.99
131_I	150_G	0.522	0.99
51_P	79_C	0.521	0.99
79_C	128_H	0.521	0.99
109_H	113_T	0.520	0.99
2_I	45_D	0.520	0.99
76_F	184_F	0.519	0.99
96_A	99_L	0.518	0.99
116_E	186_E	0.513	0.98
49_I	66_I	0.511	0.98
40_E	43_S	0.509	0.98
183_N	186_E	0.508	0.98
39_I	65_A	0.508	0.98
100_M	103_K	0.504	0.98
46_F	76_F	0.504	0.98
109_H	112_K	0.502	0.98
106_D	145_A	0.501	0.98
24_E	188_Y	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	0.9124	100	0.191	Contact Map
1gpmA	3	0.9845	100	0.201	Contact Map
2ywbA	4	0.9588	100	0.201	Contact Map
2vxoA	2	0.9639	100	0.215	Contact Map
3uowA	2	0.9742	100	0.242	Contact Map
1a9xB	1	0.9536	100	0.268	Contact Map
1qdlB	2	0.9588	100	0.281	Contact Map
1i1qB	1	0.9381	100	0.288	Contact Map
3r75A	2	0.9485	100	0.29	Contact Map
2vpiA	1	0.933	100	0.291	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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