ATDA - ECOLI - GREMLIN Contacts

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ATDA - Spermidine N(1)-acetyltransferase

UniProt:	P0A951	Sequences: MPSAHSVKLRPLEREDLRYVHQLDNNASVMRYWFEEPYEAFVELSDLYDKHIHDQSERRFVVECDGEKAGLVELVEINHVHRRAEFQIIISPEYQGKGLATRAAKLAMDYGFTVLNLYKLYLIVDKENEKAIHIYRKLGFSVEGELMHEFFINGQYRNAIRMCIFQHQYLAEHKTPGQTLLKPTAQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12447
Length:	186 (164)
Sequences:	19550 (15102)
Seq/√Len:	1179.2

ECOLI - ATDA RIMJ RIML YHHY MNAT
BACSU - YDAF YJCK YOKL YOAA YNAD YKKB YJDG YWNH
HALSA - Q9HNJ3 Q9HRY6 Q9HRY5 Q9HMZ2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
122_L	135_Y	2.887	1.00
101_T	137_K	2.790	1.00
10_R	63_E	2.570	1.00
10_R	16_D	2.476	1.00
143_E	163_C	2.410	1.00
28_S	92_P	2.283	1.00
84_A	117_L	2.269	1.00
74_L	111_G	2.193	1.00
6_S	102_R	2.180	1.00
142_V	145_E	2.166	1.00
142_V	160_I	2.143	1.00
124_V	132_I	2.138	1.00
124_V	135_Y	2.012	1.00
133_H	136_R	2.001	1.00
4_A	106_L	2.000	1.00
132_I	136_R	1.935	1.00
109_D	113_T	1.884	1.00
4_A	102_R	1.825	1.00
26_N	92_P	1.802	1.00
86_F	104_A	1.777	1.00
108_M	140_F	1.770	1.00
108_M	120_L	1.726	1.00
61_V	68_K	1.725	1.00
12_L	61_V	1.712	1.00
118_Y	148_H	1.699	1.00
145_E	160_I	1.679	1.00
18_R	41_F	1.655	1.00
132_I	142_V	1.641	1.00
19_Y	68_K	1.630	1.00
91_S	94_Y	1.624	1.00
41_F	45_S	1.596	1.00
104_A	138_L	1.581	1.00
126_K	158_N	1.576	1.00
14_R	49_D	1.570	1.00
132_I	160_I	1.562	1.00
151_F	156_Y	1.551	1.00
72_V	103_A	1.548	1.00
106_L	109_D	1.516	1.00
136_R	142_V	1.515	1.00
17_L	45_S	1.509	1.00
40_A	43_E	1.484	1.00
90_I	100_A	1.476	1.00
63_E	66_G	1.427	1.00
129_E	132_I	1.383	1.00
119_K	163_C	1.381	1.00
64_C	69_A	1.347	1.00
88_I	135_Y	1.339	1.00
62_V	103_A	1.322	1.00
118_Y	156_Y	1.311	1.00
132_I	162_M	1.304	1.00
101_T	134_I	1.299	1.00
19_Y	67_E	1.295	1.00
110_Y	114_V	1.285	1.00
72_V	107_A	1.272	1.00
8_K	63_E	1.267	1.00
69_A	94_Y	1.263	1.00
111_G	120_L	1.262	1.00
149_E	159_A	1.253	1.00
126_K	145_E	1.251	1.00
3_S	8_K	1.238	1.00
62_V	90_I	1.230	1.00
146_L	161_R	1.229	1.00
127_E	157_R	1.184	1.00
64_C	99_L	1.176	1.00
88_I	131_A	1.166	1.00
67_E	93_E	1.147	1.00
71_L	89_I	1.140	1.00
100_A	134_I	1.134	1.00
23_L	89_I	1.112	1.00
85_E	123_I	1.112	1.00
111_G	115_L	1.110	1.00
23_L	91_S	1.101	1.00
131_A	135_Y	1.098	1.00
124_V	162_M	1.098	1.00
95_Q	130_K	1.097	1.00
4_A	7_V	1.092	1.00
110_Y	115_L	1.082	1.00
92_P	95_Q	1.068	1.00
17_L	48_Y	1.068	1.00
67_E	94_Y	1.065	1.00
145_E	158_N	1.061	1.00
45_S	49_D	1.056	1.00
21_H	41_F	1.050	1.00
39_E	43_E	1.040	1.00
119_K	143_E	1.033	1.00
19_Y	22_Q	1.032	1.00
28_S	31_R	1.029	1.00
142_V	162_M	1.028	1.00
118_Y	166_Q	1.024	1.00
108_M	164_I	1.011	1.00
83_R	121_Y	1.010	1.00
46_D	50_K	1.009	1.00
78_N	81_H	1.002	1.00
14_R	45_S	0.996	1.00
122_L	140_F	0.995	1.00
29_V	95_Q	0.991	1.00
148_H	158_N	0.987	1.00
17_L	41_F	0.962	1.00
134_I	138_L	0.961	1.00
147_M	158_N	0.960	1.00
101_T	105_K	0.954	1.00
60_F	107_A	0.947	1.00
125_D	157_R	0.944	1.00
8_K	66_G	0.935	1.00
60_F	110_Y	0.931	1.00
38_Y	44_L	0.926	1.00
63_E	68_K	0.923	1.00
135_Y	140_F	0.916	1.00
147_M	163_C	0.913	1.00
108_M	138_L	0.906	1.00
140_F	164_I	0.897	1.00
74_L	107_A	0.896	1.00
64_C	67_E	0.895	1.00
126_K	160_I	0.894	1.00
129_E	133_H	0.887	1.00
111_G	117_L	0.881	1.00
105_K	109_D	0.876	1.00
12_L	71_L	0.867	1.00
7_V	103_A	0.867	1.00
28_S	95_Q	0.867	1.00
96_G	130_K	0.856	1.00
22_Q	91_S	0.844	1.00
7_V	99_L	0.839	1.00
116_N	166_Q	0.833	1.00
101_T	138_L	0.829	1.00
102_R	106_L	0.828	1.00
90_I	99_L	0.823	1.00
83_R	119_K	0.822	1.00
18_R	22_Q	0.819	1.00
67_E	91_S	0.819	1.00
24_D	89_I	0.817	1.00
21_H	44_L	0.815	1.00
83_R	149_E	0.814	1.00
88_I	100_A	0.814	1.00
14_R	17_L	0.814	1.00
64_C	97_K	0.808	1.00
16_D	63_E	0.806	1.00
147_M	165_F	0.804	1.00
46_D	49_D	0.799	1.00
82_R	156_Y	0.797	1.00
42_V	45_S	0.795	1.00
85_E	121_Y	0.795	1.00
105_K	138_L	0.780	1.00
82_R	151_F	0.776	1.00
17_L	21_H	0.773	1.00
146_L	149_E	0.772	1.00
143_E	147_M	0.769	1.00
22_Q	67_E	0.768	1.00
124_V	131_A	0.756	1.00
119_K	165_F	0.756	1.00
4_A	9_L	0.755	1.00
94_Y	97_K	0.754	1.00
64_C	94_Y	0.741	1.00
32_Y	125_D	0.741	1.00
151_F	155_Q	0.740	1.00
30_M	33_W	0.738	1.00
44_L	47_L	0.735	1.00
23_L	68_K	0.735	1.00
129_E	136_R	0.730	1.00
136_R	162_M	0.728	1.00
19_Y	91_S	0.722	1.00
123_I	146_L	0.714	1.00
148_H	156_Y	0.712	1.00
96_G	101_T	0.712	1.00
41_F	44_L	0.701	1.00
32_Y	127_E	0.699	1.00
104_A	134_I	0.693	1.00
122_L	131_A	0.693	1.00
26_N	91_S	0.692	1.00
125_D	152_I	0.690	1.00
123_I	159_A	0.681	1.00
22_Q	93_E	0.680	1.00
124_V	160_I	0.680	1.00
96_G	133_H	0.677	1.00
88_I	104_A	0.671	1.00
59_R	73_E	0.652	1.00
39_E	44_L	0.651	1.00
69_A	99_L	0.647	1.00
26_N	95_Q	0.647	1.00
100_A	104_A	0.645	1.00
21_H	25_N	0.644	1.00
6_S	98_G	0.641	1.00
5_H	102_R	0.641	1.00
101_T	130_K	0.638	1.00
43_E	46_D	0.635	1.00
130_K	133_H	0.634	1.00
47_L	51_H	0.631	1.00
133_H	137_K	0.621	1.00
42_V	46_D	0.620	1.00
88_I	134_I	0.619	1.00
84_A	111_G	0.615	1.00
62_V	99_L	0.613	1.00
127_E	155_Q	0.607	1.00
10_R	61_V	0.605	1.00
99_L	102_R	0.603	1.00
72_V	104_A	0.603	1.00
96_G	134_I	0.599	1.00
135_Y	162_M	0.599	1.00
27_A	31_R	0.599	1.00
138_L	164_I	0.596	1.00
74_L	84_A	0.592	1.00
126_K	132_I	0.592	1.00
7_V	102_R	0.591	1.00
119_K	149_E	0.587	1.00
10_R	13_E	0.584	1.00
148_H	165_F	0.583	1.00
84_A	120_L	0.580	1.00
30_M	35_E	0.574	1.00
13_E	16_D	0.572	1.00
122_L	162_M	0.571	1.00
152_I	155_Q	0.570	1.00
33_W	89_I	0.569	1.00
141_S	147_M	0.568	1.00
121_Y	146_L	0.567	1.00
104_A	140_F	0.566	1.00
44_L	48_Y	0.565	1.00
82_R	118_Y	0.564	1.00
62_V	72_V	0.559	1.00
33_W	36_E	0.551	1.00
51_H	57_E	0.550	1.00
73_E	87_Q	0.546	1.00
109_D	114_V	0.541	1.00
123_I	161_R	0.541	1.00
29_V	89_I	0.533	1.00
12_L	20_V	0.531	1.00
90_I	95_Q	0.529	1.00
150_F	159_A	0.528	1.00
68_K	71_L	0.527	1.00
9_L	106_L	0.527	1.00
19_Y	23_L	0.526	1.00
151_F	154_G	0.526	1.00
20_V	71_L	0.526	1.00
5_H	8_K	0.523	1.00
77_I	84_A	0.523	1.00
90_I	94_Y	0.519	1.00
120_L	140_F	0.514	1.00
22_Q	25_N	0.513	1.00
16_D	19_Y	0.512	1.00
148_H	166_Q	0.512	1.00
86_F	120_L	0.510	1.00
112_F	166_Q	0.509	1.00
82_R	116_N	0.509	1.00
152_I	157_R	0.508	1.00
18_R	21_H	0.504	1.00
112_F	164_I	0.500	1.00
51_H	59_R	0.500	1.00

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
1yreA	2	0.9355	100	0.306	Contact Map
3pzjA	2	0.914	100	0.309	Contact Map
2z10A	2	0.9677	100	0.311	Contact Map
2vzyA	3	0.9032	100	0.314	Contact Map
4r9mA	5	0.9032	100	0.318	Contact Map
3tcvA	2	1	100	0.333	Contact Map
3r9fA	1	0.8925	100	0.336	Contact Map
1nslA	3	0.9086	100	0.338	Contact Map
3tthA	5	0.8763	100	0.341	Contact Map
2fckA	2	0.8763	100	0.354	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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