TAM - ECOLI - GREMLIN Contacts

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TAM - Trans-aconitate 2-methyltransferase

UniProt:	P76145	Sequences: MSDWNPSLYLHFSAERSRPAVELLARVPLENVEYVADLGCGPGNSTALLQQRWPAARITGIDSSPAMIAEARSALPDCQFVEADIRNWQPVQALDLIFANASLQWLPDHYELFPHLVSLLNPQGVLAVQMPDNWLEPTHVLMREVAWEQNYPDRGREPLAGVHAYYDILSEAGCEVDIWRTTYYHQMPSHQAIIDWVTATGLRPWLQDLTESEQQLFLKRYHQMLEEQYPLQENGQILLAFPRLFIVARRME	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG13812
Length:	252 (214)
Sequences:	12024 (9865)
Seq/√Len:	674.3

ECOLI - TAM BIOC YJHP SMTA UBIE UBIG YAFE TEHB CMOA RLMA CMOB
BACSU - YCGJ YODH YXBB MENG YRRT YBAJ YDAC YRHH YQEM YXJB
HALSA - Q9HR63 Q9HRX3 Q9HR81 Q9HND6 ARSM Q9HSK6 Q9HMT2 Q9HQ85
SULSO - Q97X57 Q97ZU8 Q7LXN7 Q97WH3 Q97WT7 Q97WN4 Q97YX4 Q97XD7

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
34_Y	57_R	3.465	1.00
57_R	79_Q	2.943	1.00
115_H	118_S	2.899	1.00
120_L	124_G	2.753	1.00
117_V	174_C	2.711	1.00
65_P	82_E	2.707	1.00
36_A	94_L	2.693	1.00
59_T	94_L	2.693	1.00
71_A	80_F	2.619	1.00
95_D	121_N	2.542	1.00
108_D	111_E	2.527	1.00
68_I	80_F	2.492	1.00
68_I	82_E	2.471	1.00
90_P	94_L	2.414	1.00
65_P	69_A	2.399	1.00
97_I	116_L	2.343	1.00
39_G	102_S	2.339	1.00
46_T	58_I	2.315	1.00
61_I	83_A	2.288	1.00
40_C	60_G	2.279	1.00
116_L	126_L	2.156	1.00
70_E	73_S	2.148	1.00
97_I	120_L	2.132	1.00
40_C	46_T	2.023	1.00
115_H	119_L	2.016	1.00
34_Y	59_T	1.991	1.00
99_A	102_S	1.963	1.00
62_D	68_I	1.905	1.00
59_T	81_V	1.876	1.00
83_A	89_Q	1.793	1.00
30_E	33_E	1.774	1.00
38_L	85_I	1.763	1.00
34_Y	121_N	1.721	1.00
120_L	126_L	1.699	1.00
210_T	213_E	1.648	1.00
85_I	106_L	1.641	1.00
68_I	72_R	1.627	1.00
38_L	116_L	1.580	1.00
110_Y	171_E	1.567	1.00
166_Y	170_S	1.562	1.00
47_A	75_L	1.551	1.00
35_V	96_L	1.524	1.00
33_E	56_A	1.521	1.00
34_Y	94_L	1.513	1.00
102_S	106_L	1.511	1.00
39_G	99_A	1.485	1.00
47_A	74_A	1.446	1.00
48_L	51_Q	1.426	1.00
66_A	69_A	1.419	1.00
88_W	115_H	1.418	1.00
46_T	60_G	1.414	1.00
111_E	114_P	1.412	1.00
110_Y	114_P	1.401	1.00
60_G	80_F	1.397	1.00
112_L	116_L	1.393	1.00
189_S	192_A	1.387	1.00
69_A	72_R	1.377	1.00
59_T	79_Q	1.376	1.00
120_L	174_C	1.355	1.00
223_Q	227_E	1.354	1.00
63_S	84_D	1.340	1.00
91_V	118_S	1.331	1.00
60_G	71_A	1.324	1.00
47_A	51_Q	1.324	1.00
50_Q	77_D	1.323	1.00
161_G	164_A	1.312	1.00
84_D	87_N	1.296	1.00
106_L	112_L	1.281	1.00
191_Q	222_H	1.280	1.00
33_E	96_L	1.255	1.00
45_S	98_F	1.253	1.00
167_D	171_E	1.245	1.00
40_C	71_A	1.237	1.00
22_E	25_A	1.235	1.00
37_D	60_G	1.215	1.00
35_V	49_L	1.213	1.00
226_E	229_Y	1.196	1.00
69_A	73_S	1.196	1.00
116_L	120_L	1.194	1.00
188_P	192_A	1.190	1.00
141_L	144_E	1.179	1.00
214_Q	217_F	1.174	1.00
85_I	102_S	1.163	1.00
81_V	90_P	1.161	1.00
219_K	222_H	1.160	1.00
215_Q	219_K	1.153	1.00
100_N	129_Q	1.148	1.00
196_W	200_T	1.142	1.00
88_W	119_L	1.135	1.00
97_I	119_L	1.134	1.00
62_D	67_M	1.132	1.00
36_A	97_I	1.127	1.00
21_V	48_L	1.094	1.00
218_L	222_H	1.088	1.00
25_A	52_R	1.081	1.00
162_V	166_Y	1.078	1.00
45_S	100_N	1.047	1.00
110_Y	168_I	1.045	1.00
101_A	131_P	1.044	1.00
16_R	19_P	1.031	1.00
103_L	106_L	1.030	1.00
213_E	217_F	1.028	1.00
220_R	223_Q	1.020	1.00
136_E	140_V	1.013	1.00
140_V	143_R	1.006	1.00
40_C	62_D	1.002	1.00
139_H	143_R	1.001	1.00
103_L	128_V	0.996	1.00
86_R	106_L	0.993	1.00
224_M	227_E	0.966	1.00
49_L	98_F	0.966	1.00
136_E	139_H	0.964	1.00
219_K	223_Q	0.961	1.00
223_Q	226_E	0.959	1.00
21_V	25_A	0.958	1.00
210_T	214_Q	0.956	1.00
37_D	58_I	0.950	1.00
33_E	95_D	0.936	1.00
42_P	67_M	0.932	1.00
91_V	115_H	0.927	1.00
22_E	26_R	0.926	1.00
50_Q	78_C	0.925	1.00
142_M	145_V	0.923	1.00
64_S	67_M	0.918	1.00
34_Y	95_D	0.917	1.00
167_D	170_S	0.915	1.00
89_Q	115_H	0.910	1.00
224_M	228_Q	0.910	1.00
113_F	169_L	0.907	1.00
193_I	196_W	0.904	1.00
194_I	222_H	0.903	1.00
20_A	45_S	0.901	1.00
90_P	93_A	0.900	1.00
48_L	52_R	0.899	1.00
222_H	226_E	0.895	1.00
37_D	61_I	0.888	1.00
83_A	88_W	0.884	1.00
211_E	214_Q	0.880	1.00
215_Q	218_L	0.869	1.00
38_L	112_L	0.867	1.00
59_T	90_P	0.857	1.00
32_V	56_A	0.853	1.00
33_E	125_V	0.852	1.00
34_Y	93_A	0.852	1.00
93_A	119_L	0.848	1.00
37_D	98_F	0.847	1.00
216_L	220_R	0.847	1.00
20_A	23_L	0.842	1.00
143_R	146_A	0.842	1.00
198_T	218_L	0.834	1.00
32_V	55_A	0.831	1.00
36_A	119_L	0.830	1.00
101_A	104_Q	0.826	1.00
214_Q	218_L	0.826	1.00
103_L	130_M	0.824	1.00
136_E	142_M	0.818	1.00
12_F	15_E	0.817	1.00
142_M	146_A	0.815	1.00
21_V	52_R	0.813	1.00
138_T	141_L	0.812	1.00
141_L	145_V	0.810	1.00
94_L	119_L	0.809	1.00
114_P	172_A	0.806	1.00
183_Y	186_Q	0.805	1.00
86_R	107_P	0.803	1.00
90_P	119_L	0.802	1.00
196_W	199_A	0.788	1.00
23_L	127_A	0.787	1.00
46_T	80_F	0.784	1.00
61_I	81_V	0.784	1.00
35_V	55_A	0.781	1.00
158_P	164_A	0.780	1.00
27_V	127_A	0.775	1.00
32_V	35_V	0.773	1.00
212_S	216_L	0.770	1.00
93_A	121_N	0.769	1.00
177_D	181_T	0.766	1.00
103_L	113_F	0.766	1.00
73_S	76_P	0.764	1.00
86_R	111_E	0.763	1.00
220_R	224_M	0.762	1.00
191_Q	195_D	0.753	1.00
203_R	206_L	0.751	1.00
137_P	141_L	0.747	1.00
33_E	121_N	0.747	1.00
75_L	78_C	0.747	1.00
63_S	82_E	0.736	1.00
137_P	143_R	0.735	1.00
213_E	216_L	0.732	1.00
177_D	180_R	0.723	1.00
96_L	125_V	0.723	1.00
158_P	162_V	0.722	1.00
160_A	164_A	0.721	1.00
109_H	168_I	0.720	1.00
192_A	195_D	0.714	1.00
16_R	20_A	0.714	1.00
126_L	169_L	0.711	1.00
144_E	224_M	0.707	1.00
164_A	167_D	0.706	1.00
91_V	119_L	0.706	1.00
85_I	112_L	0.705	1.00
18_R	21_V	0.705	1.00
61_I	88_W	0.701	1.00
137_P	144_E	0.700	1.00
87_N	111_E	0.699	1.00
137_P	146_A	0.695	1.00
75_L	80_F	0.690	1.00
18_R	22_E	0.688	1.00
111_E	115_H	0.686	1.00
136_E	145_V	0.683	1.00
72_R	79_Q	0.683	1.00
117_V	172_A	0.682	1.00
45_S	129_Q	0.679	1.00
29_L	33_E	0.675	1.00
35_V	58_I	0.672	1.00
12_F	195_D	0.671	1.00
130_M	165_Y	0.666	1.00
36_A	61_I	0.664	1.00
39_G	106_L	0.661	1.00
195_D	199_A	0.659	1.00
226_E	230_P	0.659	1.00
39_G	63_S	0.654	1.00
19_P	23_L	0.653	1.00
201_G	204_P	0.652	1.00
46_T	78_C	0.651	1.00
113_F	172_A	0.650	1.00
160_A	165_Y	0.647	1.00
110_Y	172_A	0.645	1.00
103_L	112_L	0.643	1.00
216_L	219_K	0.643	1.00
211_E	215_Q	0.643	1.00
87_N	115_H	0.641	1.00
192_A	196_W	0.638	1.00
45_S	48_L	0.633	1.00
24_L	27_V	0.631	1.00
34_Y	92_Q	0.628	1.00
100_N	104_Q	0.627	1.00
13_S	16_R	0.627	1.00
105_W	131_P	0.625	1.00
40_C	61_I	0.625	1.00
142_M	147_W	0.621	1.00
139_H	142_M	0.619	1.00
51_Q	55_A	0.618	1.00
202_L	205_W	0.617	1.00
65_P	72_R	0.617	1.00
12_F	199_A	0.616	1.00
40_C	68_I	0.615	1.00
209_L	212_S	0.609	1.00
157_E	160_A	0.605	1.00
104_Q	130_M	0.603	1.00
195_D	198_T	0.603	1.00
26_R	29_L	0.601	1.00
38_L	88_W	0.592	1.00
218_L	221_Y	0.591	1.00
44_N	47_A	0.590	1.00
28_P	52_R	0.590	1.00
100_N	105_W	0.589	1.00
138_T	142_M	0.589	1.00
203_R	207_Q	0.587	1.00
138_T	146_A	0.586	1.00
176_V	179_W	0.585	1.00
20_A	24_L	0.585	1.00
104_Q	131_P	0.584	1.00
140_V	144_E	0.584	1.00
156_R	159_L	0.584	1.00
190_H	193_I	0.581	1.00
52_R	56_A	0.578	1.00
182_T	185_H	0.576	1.00
86_R	108_D	0.574	1.00
35_V	98_F	0.571	1.00
117_V	173_G	0.567	1.00
137_P	140_V	0.566	1.00
197_V	200_T	0.565	1.00
162_V	165_Y	0.564	1.00
62_D	82_E	0.563	1.00
137_P	145_V	0.562	1.00
143_R	147_W	0.561	1.00
93_A	118_S	0.560	1.00
209_L	217_F	0.558	1.00
163_H	166_Y	0.557	1.00
221_Y	225_L	0.556	1.00
96_L	127_A	0.555	1.00
16_R	100_N	0.554	1.00
101_A	129_Q	0.554	1.00
184_Y	187_M	0.552	1.00
68_I	71_A	0.552	1.00
47_A	50_Q	0.548	1.00
131_P	135_L	0.547	1.00
101_A	105_W	0.546	1.00
204_P	208_D	0.545	1.00
125_V	128_V	0.545	1.00
23_L	26_R	0.542	1.00
217_F	221_Y	0.542	1.00
164_A	168_I	0.541	1.00
12_F	16_R	0.540	1.00
202_L	206_L	0.538	1.00
13_S	17_S	0.537	1.00
40_C	80_F	0.537	1.00
42_P	100_N	0.536	1.00
206_L	209_L	0.535	1.00
183_Y	187_M	0.532	1.00
36_A	90_P	0.531	1.00
139_H	144_E	0.531	1.00
113_F	117_V	0.530	1.00
60_G	78_C	0.529	1.00
206_L	210_T	0.526	1.00
14_A	17_S	0.524	0.99
44_N	48_L	0.519	0.99
70_E	74_A	0.519	0.99
194_I	198_T	0.519	0.99
139_H	146_A	0.518	0.99
209_L	213_E	0.518	0.99
139_H	145_V	0.517	0.99
86_R	112_L	0.515	0.99
102_S	105_W	0.514	0.99
168_I	171_E	0.512	0.99
19_P	24_L	0.509	0.99
29_L	32_V	0.501	0.99
56_A	59_T	0.501	0.99
89_Q	119_L	0.500	0.99
66_A	70_E	0.500	0.99

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
2p35A	2	0.9643	100	0.277	Contact Map
3ccfA	1	0.9365	100	0.337	Contact Map
2yqzA	1	0.9722	100	0.397	Contact Map
1vl5A	1	0.8889	100	0.409	Contact Map
3g5tA	1	0.9802	100	0.412	Contact Map
3egeA	1	0.9127	100	0.426	Contact Map
4hg2A	1	0.9008	100	0.438	Contact Map
3ujcA	1	0.9127	100	0.438	Contact Map
4ineA	2	0.9365	100	0.439	Contact Map
4kriA	1	0.9365	100	0.443	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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