LEUD - ECOLI - GREMLIN Contacts

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LEUD - 3-isopropylmalate dehydratase small subunit

UniProt:	P30126	Sequences: MAEKFIKHTGLVVPLDAANVDTDAIIPKQFLQKVTRTGFGAHLFNDWRFLDEKGQQPNPDFVLNFPQYQGASILLARENFGCGSSREHAPWALTDYGFKVVIAPSFADIFYGNSFNNQLLPVKLSDAEVDELFALVKANPGIHFDVDLEAQEVKAGEKTYRFTIDAFRRHCMMNGLDSIGLTLQHDDAIAAYEAKQPAFMN	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG11575
Length:	201 (171)
Sequences:	5984 (3026)
Seq/√Len:	231.4

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
9_T	145_D	3.135	1.00
125_S	128_E	2.827	1.00
78_E	104_P	2.772	1.00
76_A	103_A	2.680	1.00
79_N	82_C	2.470	1.00
93_L	119_L	2.411	1.00
14_P	58_N	2.340	1.00
151_Q	169_R	2.304	1.00
150_A	156_G	2.296	1.00
8_H	72_S	2.244	1.00
52_E	56_Q	2.176	1.00
147_D	150_A	2.134	1.00
170_H	174_N	2.123	1.00
167_F	171_C	2.051	1.00
146_V	160_Y	1.977	1.00
73_I	100_V	1.902	1.00
114_S	119_L	1.864	1.00
90_P	107_A	1.856	1.00
152_E	159_T	1.838	1.00
114_S	121_P	1.824	1.00
24_A	47_W	1.785	1.00
21_D	24_A	1.711	1.00
131_E	158_K	1.684	1.00
56_Q	61_F	1.682	1.00
9_T	143_H	1.647	1.00
10_G	72_S	1.613	1.00
149_E	173_M	1.562	1.00
115_F	121_P	1.556	1.00
14_P	68_Y	1.553	1.00
54_G	64_N	1.533	1.00
19_N	79_N	1.522	1.00
149_E	169_R	1.513	1.00
57_P	69_Q	1.506	1.00
42_H	45_N	1.504	1.00
104_P	129_V	1.497	1.00
64_N	68_Y	1.490	1.00
115_F	168_R	1.481	1.00
116_N	178_S	1.480	1.00
145_D	157_E	1.430	1.00
100_V	146_V	1.428	1.00
41_A	44_F	1.397	1.00
10_G	73_I	1.390	1.00
151_Q	166_A	1.377	1.00
45_N	48_R	1.370	1.00
13_V	71_A	1.364	1.00
18_A	78_E	1.353	1.00
124_L	129_V	1.345	1.00
165_D	168_R	1.343	1.00
59_P	63_L	1.310	1.00
29_Q	46_D	1.304	1.00
30_F	45_N	1.290	1.00
148_L	156_G	1.286	1.00
11_L	70_G	1.283	1.00
12_V	15_L	1.269	1.00
31_L	35_T	1.267	1.00
147_D	157_E	1.260	1.00
129_V	132_L	1.258	1.00
56_Q	64_N	1.257	1.00
73_I	102_I	1.244	1.00
111_Y	168_R	1.243	1.00
169_R	173_M	1.232	1.00
145_D	154_K	1.212	1.00
18_A	104_P	1.208	1.00
139_N	142_I	1.199	1.00
176_L	180_G	1.195	1.00
16_D	20_V	1.193	1.00
150_A	154_K	1.189	1.00
125_S	143_H	1.176	1.00
18_A	77_R	1.172	1.00
102_I	160_Y	1.169	1.00
52_E	58_N	1.164	1.00
16_D	133_F	1.146	1.00
63_L	66_P	1.139	1.00
43_L	92_A	1.137	1.00
90_P	119_L	1.135	1.00
168_R	171_C	1.124	1.00
40_G	46_D	1.110	1.00
152_E	161_R	1.107	1.00
123_K	163_T	1.106	1.00
33_K	39_F	1.095	1.00
146_V	158_K	1.091	1.00
102_I	129_V	1.088	1.00
77_R	133_F	1.085	1.00
125_S	161_R	1.084	1.00
32_Q	38_G	1.083	1.00
144_F	160_Y	1.074	1.00
148_L	158_K	1.073	1.00
94_T	119_L	1.072	1.00
145_D	159_T	1.049	1.00
28_K	46_D	1.045	1.00
147_D	155_A	1.045	1.00
94_T	99_K	1.038	1.00
72_S	98_F	1.032	1.00
144_F	155_A	1.024	1.00
67_Q	70_G	1.020	1.00
15_L	130_D	1.016	1.00
66_P	69_Q	1.015	1.00
8_H	100_V	1.015	1.00
164_I	169_R	1.012	1.00
164_I	172_M	1.010	1.00
78_E	126_D	0.991	1.00
126_D	130_D	0.988	1.00
80_F	110_F	0.979	1.00
110_F	114_S	0.979	1.00
75_L	130_D	0.968	1.00
64_N	67_Q	0.964	1.00
129_V	133_F	0.958	1.00
10_G	71_A	0.953	1.00
135_L	155_A	0.952	1.00
94_T	117_N	0.949	1.00
75_L	133_F	0.948	1.00
111_Y	115_F	0.944	1.00
33_K	40_G	0.939	1.00
111_Y	123_K	0.935	1.00
153_V	160_Y	0.934	1.00
88_H	107_A	0.928	1.00
43_L	96_Y	0.926	1.00
26_I	92_A	0.918	1.00
149_E	155_A	0.913	1.00
171_C	178_S	0.906	1.00
53_K	56_Q	0.899	0.99
174_N	178_S	0.895	0.99
125_S	159_T	0.894	0.99
58_N	61_F	0.888	0.99
40_G	44_F	0.888	0.99
72_S	99_K	0.870	0.99
128_E	131_E	0.870	0.99
19_N	82_C	0.854	0.99
88_H	91_W	0.850	0.99
45_N	55_Q	0.837	0.99
77_R	130_D	0.835	0.99
16_D	77_R	0.828	0.99
115_F	164_I	0.825	0.99
75_L	102_I	0.822	0.99
44_F	47_W	0.820	0.99
30_F	42_H	0.817	0.99
75_L	136_V	0.814	0.99
131_E	134_A	0.813	0.99
74_L	98_F	0.811	0.99
44_F	48_R	0.810	0.99
90_P	114_S	0.804	0.99
130_D	134_A	0.802	0.99
143_H	161_R	0.801	0.99
154_K	159_T	0.798	0.99
57_P	62_V	0.796	0.99
170_H	173_M	0.794	0.99
104_P	126_D	0.786	0.99
75_L	124_L	0.781	0.99
15_L	131_E	0.780	0.99
52_E	55_Q	0.779	0.98
53_K	57_P	0.779	0.98
12_V	136_V	0.776	0.98
37_T	95_D	0.776	0.98
171_C	174_N	0.769	0.98
143_H	159_T	0.764	0.98
166_A	170_H	0.762	0.98
104_P	131_E	0.762	0.98
131_E	160_Y	0.761	0.98
118_Q	175_G	0.761	0.98
13_V	98_F	0.758	0.98
76_A	101_V	0.755	0.98
29_Q	45_N	0.754	0.98
35_T	38_G	0.754	0.98
12_V	75_L	0.748	0.98
139_N	143_H	0.746	0.98
170_H	176_L	0.745	0.98
123_K	161_R	0.739	0.98
10_G	100_V	0.737	0.98
34_V	38_G	0.736	0.98
142_I	155_A	0.727	0.98
31_L	88_H	0.723	0.98
57_P	61_F	0.718	0.97
57_P	60_D	0.696	0.97
120_L	172_M	0.689	0.97
54_G	57_P	0.687	0.97
148_L	151_Q	0.673	0.96
91_W	117_N	0.670	0.96
155_A	158_K	0.670	0.96
28_K	45_N	0.667	0.96
17_A	20_V	0.665	0.96
177_D	180_G	0.663	0.96
102_I	124_L	0.661	0.96
36_R	88_H	0.659	0.96
80_F	93_L	0.653	0.96
151_Q	164_I	0.652	0.96
137_K	142_I	0.651	0.95
128_E	132_L	0.651	0.95
40_G	47_W	0.643	0.95
11_L	143_H	0.632	0.95
166_A	169_R	0.628	0.95
39_F	42_H	0.627	0.94
150_A	159_T	0.625	0.94
44_F	49_F	0.623	0.94
40_G	45_N	0.622	0.94
12_V	133_F	0.617	0.94
56_Q	60_D	0.614	0.94
39_F	43_L	0.611	0.94
104_P	130_D	0.611	0.94
35_T	42_H	0.608	0.94
94_T	101_V	0.606	0.93
33_K	42_H	0.604	0.93
28_K	32_Q	0.602	0.93
138_A	141_G	0.600	0.93
137_K	140_P	0.599	0.93
32_Q	164_I	0.599	0.93
31_L	34_V	0.596	0.93
111_Y	121_P	0.590	0.93
14_P	62_V	0.588	0.92
26_I	32_Q	0.578	0.92
141_G	148_L	0.576	0.92
112_G	115_F	0.574	0.91
62_V	65_F	0.573	0.91
49_F	58_N	0.572	0.91
124_L	153_V	0.572	0.91
28_K	85_S	0.569	0.91
43_L	48_R	0.568	0.91
21_D	31_L	0.568	0.91
11_L	141_G	0.565	0.91
135_L	142_I	0.560	0.90
25_I	44_F	0.559	0.90
162_F	169_R	0.559	0.90
78_E	127_A	0.558	0.90
59_P	62_V	0.557	0.90
82_C	93_L	0.553	0.90
39_F	91_W	0.553	0.90
40_G	94_T	0.552	0.90
128_E	160_Y	0.552	0.90
60_D	64_N	0.552	0.90
141_G	146_V	0.548	0.90
102_I	153_V	0.546	0.89
13_V	62_V	0.545	0.89
60_D	63_L	0.545	0.89
53_K	58_N	0.542	0.89
39_F	88_H	0.539	0.89
69_Q	158_K	0.539	0.89
40_G	49_F	0.538	0.89
36_R	91_W	0.537	0.89
148_L	169_R	0.537	0.89
32_Q	35_T	0.535	0.88
115_F	171_C	0.531	0.88
136_V	150_A	0.526	0.88
33_K	38_G	0.525	0.87
11_L	71_A	0.523	0.87
152_E	155_A	0.523	0.87
75_L	132_L	0.519	0.87
176_L	179_I	0.519	0.87
136_V	151_Q	0.518	0.87
36_R	117_N	0.518	0.87
40_G	43_L	0.516	0.87
16_D	74_L	0.512	0.86
28_K	88_H	0.510	0.86
25_I	28_K	0.507	0.86
24_A	46_D	0.505	0.85
159_T	162_F	0.501	0.85
33_K	46_D	0.500	0.85
75_L	148_L	0.500	0.85

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	0.9005	100	0.089	Contact Map
2hcuA	1	0.8557	100	0.113	Contact Map
3h5jA	1	0.8358	100	0.198	Contact Map
3vbaA	2	0.8159	100	0.307	Contact Map
2pkpA	2	0.806	100	0.317	Contact Map
1v7lA	6	0.796	100	0.322	Contact Map
1l5jA	1	0.9104	100	0.347	Contact Map
2b3yA	1	0.8905	100	0.391	Contact Map
1c96A	1	0.8955	100	0.392	Contact Map
1rduA	1	0.5771	21.9	0.955	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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