LEUD - BACSU - GREMLIN Contacts

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LEUD - 3-isopropylmalate dehydratase small subunit

UniProt:	P94568	Sequences: MEPLKSHTGKAAVLNRINVDTDQIIPKQFLKRIERTGYGRFAFFDWRYDANGEPNPEFELNQPVYQGASILIAGENFGCGSSREHAPWALDDYGFKIIIAPSFADIFHQNCFKNGMLPIRMPYDNWKQLVGQYENQSLQMTVDLENQLIHDSEGNQISFEVDPHWKEMLINGYDEISLTLLLEDEIKQFESQRSSWLQA	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	199 (170)
Sequences:	5468 (2730)
Seq/√Len:	209.4

ECOLI - LEUD
BACSU - LEUD
HALSA - Q9HMF1
SULSO - LEUD

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
8_T	141_T	3.941	1.00
49_D	53_E	2.662	1.00
73_A	100_A	2.653	1.00
122_P	125_N	2.613	1.00
97_I	142_V	2.548	1.00
8_T	139_Q	2.534	1.00
148_L	156_Q	2.466	1.00
167_E	171_N	2.290	1.00
7_H	69_S	2.215	1.00
75_E	101_P	2.192	1.00
147_Q	166_K	2.170	1.00
164_H	168_M	2.152	1.00
143_D	146_N	2.119	1.00
37_G	40_R	2.063	1.00
49_D	55_N	2.048	1.00
41_F	44_F	2.024	1.00
23_Q	46_W	1.989	1.00
76_N	79_C	1.971	1.00
111_C	118_P	1.913	1.00
87_P	104_A	1.884	1.00
111_C	116_M	1.875	1.00
150_H	156_Q	1.871	1.00
42_A	89_A	1.802	1.00
9_G	69_S	1.792	1.00
141_T	150_H	1.751	1.00
90_L	116_M	1.743	1.00
151_D	155_N	1.689	1.00
20_D	23_Q	1.681	1.00
70_I	97_I	1.664	1.00
121_M	126_W	1.655	1.00
13_V	65_Y	1.616	1.00
10_K	139_Q	1.604	1.00
17_I	75_E	1.602	1.00
128_Q	155_N	1.572	1.00
29_F	44_F	1.556	1.00
112_F	118_P	1.518	1.00
145_E	170_I	1.512	1.00
162_D	165_W	1.505	1.00
113_K	175_E	1.495	1.00
13_V	55_N	1.492	1.00
145_E	166_K	1.477	1.00
61_N	65_Y	1.435	1.00
112_F	165_W	1.423	1.00
28_Q	45_D	1.399	1.00
147_Q	163_P	1.375	1.00
17_I	74_G	1.361	1.00
126_W	129_L	1.360	1.00
17_I	101_P	1.339	1.00
54_P	66_Q	1.329	1.00
18_N	76_N	1.314	1.00
129_L	155_N	1.299	1.00
70_I	140_M	1.291	1.00
148_L	158_S	1.289	1.00
9_G	70_I	1.273	1.00
101_P	126_W	1.265	1.00
42_A	93_Y	1.263	1.00
166_K	170_I	1.256	1.00
11_A	140_M	1.254	1.00
12_A	68_A	1.253	1.00
171_N	178_L	1.249	1.00
35_R	39_G	1.245	1.00
32_R	38_Y	1.225	1.00
108_H	165_W	1.219	1.00
27_K	45_D	1.218	1.00
101_P	128_Q	1.208	1.00
74_G	130_V	1.195	1.00
144_L	147_Q	1.194	1.00
15_N	130_V	1.190	1.00
173_Y	177_S	1.189	1.00
99_I	126_W	1.181	1.00
123_Y	127_K	1.172	1.00
87_P	116_M	1.143	1.00
11_A	14_L	1.120	1.00
15_N	19_V	1.117	1.00
138_L	151_D	1.111	1.00
77_F	107_F	1.108	1.00
143_D	148_L	1.103	1.00
107_F	111_C	1.103	1.00
10_K	137_S	1.103	1.00
72_I	130_V	1.100	1.00
163_P	167_E	1.078	1.00
31_K	37_G	1.076	1.00
91_D	116_M	1.062	1.00
25_I	89_A	1.058	1.00
25_I	42_A	1.051	1.00
10_K	67_G	1.043	1.00
24_I	43_F	1.040	1.00
75_E	123_Y	1.040	1.00
149_I	157_I	1.026	1.00
91_D	96_K	1.018	1.00
120_R	160_E	1.008	1.00
69_S	95_F	1.007	1.00
28_Q	44_F	1.007	1.00
112_F	161_V	1.004	1.00
108_H	112_F	0.997	1.00
154_G	157_I	0.996	1.00
165_W	168_M	0.978	1.00
9_G	68_A	0.973	1.00
36_T	92_D	0.971	1.00
171_N	175_E	0.968	1.00
108_H	120_R	0.956	1.00
85_H	88_W	0.954	1.00
43_F	47_R	0.954	1.00
64_V	67_G	0.953	1.00
70_I	99_I	0.952	0.99
7_H	97_I	0.949	0.99
69_S	96_K	0.931	0.99
151_D	157_I	0.928	0.99
91_D	114_N	0.924	0.99
126_W	130_V	0.920	0.99
147_Q	161_V	0.918	0.99
140_M	151_D	0.917	0.99
149_I	154_G	0.915	0.99
125_N	157_I	0.910	0.99
152_S	155_N	0.902	0.99
174_D	177_S	0.899	0.99
125_N	128_Q	0.898	0.99
101_P	123_Y	0.886	0.99
15_N	134_E	0.880	0.99
74_G	127_K	0.877	0.99
85_H	104_A	0.873	0.99
29_F	41_F	0.871	0.99
43_F	46_W	0.868	0.99
148_L	151_D	0.860	0.99
15_N	74_G	0.855	0.99
77_F	90_L	0.854	0.99
168_M	175_E	0.846	0.99
71_L	95_F	0.836	0.99
119_I	159_F	0.836	0.99
49_D	56_P	0.834	0.99
56_P	60_L	0.829	0.99
135_N	151_D	0.818	0.98
38_Y	85_H	0.814	0.98
51_N	127_K	0.808	0.98
63_P	66_Q	0.808	0.98
75_E	124_D	0.803	0.98
135_N	138_L	0.801	0.98
73_A	98_I	0.790	0.98
38_Y	89_A	0.781	0.98
11_A	72_I	0.779	0.98
112_F	168_M	0.774	0.98
35_R	88_W	0.774	0.98
149_I	159_F	0.773	0.98
30_L	85_H	0.769	0.98
23_Q	45_D	0.765	0.98
72_I	99_I	0.765	0.98
101_P	127_K	0.758	0.98
117_L	144_L	0.758	0.98
34_E	41_F	0.755	0.97
87_P	111_C	0.753	0.97
135_N	153_E	0.752	0.97
42_A	90_L	0.752	0.97
27_K	44_F	0.749	0.97
20_D	30_L	0.737	0.97
55_N	58_F	0.734	0.97
146_N	156_Q	0.730	0.97
149_I	152_S	0.727	0.97
32_R	41_F	0.720	0.97
151_D	156_Q	0.719	0.97
115_G	172_G	0.719	0.97
14_L	51_N	0.717	0.97
16_R	52_G	0.710	0.96
167_E	173_Y	0.709	0.96
39_G	92_D	0.709	0.96
138_L	152_S	0.708	0.96
148_L	152_S	0.706	0.96
38_Y	88_W	0.704	0.96
60_L	63_P	0.700	0.96
16_R	46_W	0.694	0.96
10_K	66_Q	0.687	0.96
148_L	154_G	0.679	0.95
152_S	156_Q	0.674	0.95
58_F	61_N	0.673	0.95
99_I	121_M	0.665	0.95
48_Y	52_G	0.664	0.95
49_D	52_G	0.661	0.95
122_P	158_S	0.654	0.94
151_D	154_G	0.652	0.94
40_R	44_F	0.652	0.94
25_I	32_R	0.648	0.94
31_K	41_F	0.647	0.94
13_V	59_E	0.634	0.93
18_N	79_C	0.631	0.93
14_L	127_K	0.630	0.93
88_W	114_N	0.619	0.92
72_I	121_M	0.618	0.92
40_R	48_Y	0.617	0.92
139_Q	152_S	0.614	0.92
62_Q	66_Q	0.612	0.92
27_K	85_H	0.604	0.91
161_V	166_K	0.599	0.91
17_I	123_Y	0.595	0.91
123_Y	126_W	0.593	0.91
108_H	118_P	0.592	0.91
75_E	102_S	0.588	0.90
25_I	38_Y	0.586	0.90
137_S	152_S	0.579	0.90
25_I	98_I	0.579	0.90
15_N	71_L	0.579	0.90
15_N	73_A	0.579	0.90
161_V	169_L	0.576	0.89
87_P	114_N	0.574	0.89
167_E	178_L	0.574	0.89
11_A	130_V	0.574	0.89
58_F	62_Q	0.572	0.89
39_G	91_D	0.572	0.89
25_I	30_L	0.570	0.89
128_Q	157_I	0.569	0.89
38_Y	41_F	0.569	0.89
168_M	178_L	0.567	0.89
34_E	92_D	0.567	0.89
167_E	170_I	0.566	0.89
48_Y	54_P	0.566	0.89
32_R	48_Y	0.560	0.88
59_E	62_Q	0.556	0.88
91_D	98_I	0.556	0.88
175_E	179_T	0.554	0.88
72_I	140_M	0.554	0.88
36_T	60_L	0.553	0.87
7_H	70_I	0.551	0.87
87_P	173_Y	0.551	0.87
44_F	48_Y	0.548	0.87
57_E	62_Q	0.547	0.87
175_E	178_L	0.546	0.87
33_I	85_H	0.546	0.87
164_H	178_L	0.539	0.86
146_N	150_H	0.539	0.86
173_Y	176_I	0.537	0.86
117_L	161_V	0.536	0.86
57_E	61_N	0.534	0.86
88_W	92_D	0.534	0.86
51_N	54_P	0.533	0.86
122_P	126_W	0.533	0.86
142_V	145_E	0.532	0.85
99_I	149_I	0.530	0.85
16_R	19_V	0.527	0.85
146_N	158_S	0.524	0.85
176_I	179_T	0.524	0.85
12_A	62_Q	0.522	0.84
119_I	149_I	0.520	0.84
72_I	127_K	0.519	0.84
155_N	160_E	0.519	0.84
26_P	103_F	0.518	0.84
76_N	102_S	0.518	0.84
8_T	125_N	0.517	0.84
14_L	128_Q	0.517	0.84
61_N	64_V	0.515	0.84
150_H	154_G	0.514	0.83
173_Y	179_T	0.513	0.83
122_P	141_T	0.509	0.83
43_F	71_L	0.508	0.83
86_A	110_N	0.507	0.83
38_Y	95_F	0.504	0.82
9_G	97_I	0.503	0.82
159_F	166_K	0.500	0.82

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
3q3wA	1	0.8894	100	0.119	Contact Map
2hcuA	1	0.8593	100	0.123	Contact Map
3h5jA	1	0.8392	100	0.226	Contact Map
3vbaA	2	0.8291	100	0.31	Contact Map
2pkpA	2	0.8191	100	0.319	Contact Map
1v7lA	6	0.804	100	0.324	Contact Map
1l5jA	1	0.9548	100	0.35	Contact Map
1c96A	1	0.8945	100	0.399	Contact Map
2b3yA	1	0.8744	100	0.409	Contact Map
3idwA	1	0.3317	20.4	0.957	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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