CYSC - ECOLI - GREMLIN Contacts

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CYSC - Adenylyl-sulfate kinase

UniProt:	P0A6J1	Sequences: MALHDENVVWHSHPVTVQQRELHHGHRGVVLWFTGLSGSGKSTVAGALEEALHKLGVSTYLLDGDNVRHGLCSDLGFSDADRKENIRRVGEVANLMVEAGLVVLTAFISPHRAERQMVRERVGEGRFIEVFVDTPLAICEARDPKGLYKKARAGELRNFTGIDSVYEAPESAEIHLNGEQLVTNLVQQLLDLLRQNDIIRS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10185
Length:	201 (178)
Sequences:	2692 (1655)
Seq/√Len:	124.0

ECOLI - CYSC
BACSU - CYSC2 CYSC1

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
140_E	152_R	4.272	1.00
138_I	141_A	3.989	1.00
90_G	118_V	2.768	1.00
133_D	175_H	2.669	1.00
30_V	122_V	2.641	1.00
181_L	188_Q	2.627	1.00
111_H	164_S	2.573	1.00
24_H	58_S	2.543	1.00
135_P	179_E	2.278	1.00
181_L	185_L	2.278	1.00
157_R	163_D	2.273	1.00
158_N	163_D	2.271	1.00
60_Y	98_E	2.270	1.00
30_V	97_V	2.229	1.00
133_D	177_N	2.229	1.00
116_Q	120_E	2.214	1.00
51_A	187_Q	2.141	1.00
112_R	170_E	2.125	1.00
78_S	81_D	2.067	1.00
89_V	107_F	2.026	1.00
176_L	185_L	2.007	1.00
33_F	104_L	1.999	1.00
128_I	192_L	1.976	1.00
67_V	89_V	1.966	1.00
177_N	180_Q	1.963	1.00
57_V	102_V	1.952	1.00
150_K	155_E	1.943	1.00
48_L	189_L	1.921	1.00
71_L	92_V	1.914	1.00
47_A	182_V	1.900	1.00
31_L	130_V	1.826	1.00
55_L	194_R	1.820	1.00
133_D	168_A	1.800	1.00
119_R	173_E	1.782	1.00
134_T	139_C	1.743	1.00
182_V	186_V	1.733	1.00
192_L	196_N	1.702	1.00
21_E	28_G	1.693	1.00
135_P	138_I	1.685	1.00
51_A	55_L	1.619	1.00
131_F	175_H	1.618	1.00
79_D	164_S	1.615	1.00
79_D	111_H	1.596	1.00
149_K	153_A	1.582	1.00
112_R	116_Q	1.543	1.00
187_Q	191_D	1.469	1.00
76_G	81_D	1.448	1.00
47_A	186_V	1.446	1.00
97_V	122_V	1.432	1.00
51_A	186_V	1.419	1.00
96_M	101_L	1.417	1.00
48_L	186_V	1.385	1.00
51_A	54_K	1.359	1.00
26_H	57_V	1.345	1.00
83_K	114_E	1.325	1.00
23_H	53_H	1.302	1.00
178_G	185_L	1.287	1.00
44_V	132_V	1.286	1.00
84_E	87_R	1.277	1.00
174_I	192_L	1.252	1.00
44_V	186_V	1.228	0.99
176_L	189_L	1.221	0.99
117_M	120_E	1.172	0.99
136_L	140_E	1.141	0.99
32_W	109_S	1.120	0.99
44_V	176_L	1.119	0.99
134_T	178_G	1.111	0.99
46_G	61_L	1.111	0.99
28_G	97_V	1.100	0.99
47_A	50_E	1.096	0.99
152_R	162_I	1.079	0.99
118_V	127_F	1.078	0.99
23_H	58_S	1.073	0.99
48_L	190_L	1.068	0.98
131_F	168_A	1.063	0.98
78_S	158_N	1.057	0.98
70_G	91_E	1.049	0.98
37_S	108_I	1.048	0.98
83_K	113_A	1.037	0.98
19_Q	22_L	1.036	0.98
191_D	195_Q	1.033	0.98
50_E	54_K	1.030	0.98
30_V	93_A	1.027	0.98
49_E	104_L	1.023	0.98
94_N	121_R	1.022	0.98
134_T	138_I	1.021	0.98
47_A	51_A	0.998	0.98
67_V	107_F	0.995	0.98
112_R	168_A	0.988	0.97
29_V	102_V	0.987	0.97
138_I	179_E	0.986	0.97
123_G	126_R	0.977	0.97
86_I	118_V	0.968	0.97
116_Q	170_E	0.959	0.97
90_G	121_R	0.957	0.97
159_F	163_D	0.956	0.97
86_I	107_F	0.944	0.97
49_E	61_L	0.921	0.96
36_L	139_C	0.915	0.96
129_E	172_A	0.913	0.96
137_A	141_A	0.894	0.95
134_T	179_E	0.891	0.95
60_Y	99_A	0.890	0.95
34_T	166_Y	0.886	0.95
19_Q	50_E	0.883	0.95
158_N	164_S	0.883	0.95
29_V	193_L	0.883	0.95
182_V	185_L	0.882	0.95
128_I	174_I	0.881	0.95
21_E	27_R	0.877	0.95
66_N	69_H	0.861	0.94
172_A	175_H	0.860	0.94
109_S	127_F	0.860	0.94
38_G	144_P	0.858	0.94
188_Q	191_D	0.858	0.94
48_L	104_L	0.851	0.94
122_V	126_R	0.849	0.94
38_G	147_L	0.847	0.94
51_A	190_L	0.847	0.94
47_A	183_T	0.846	0.94
136_L	162_I	0.842	0.94
55_L	190_L	0.840	0.94
96_M	99_A	0.834	0.93
51_A	183_T	0.831	0.93
140_E	162_I	0.821	0.93
21_E	24_H	0.816	0.93
20_R	49_E	0.814	0.93
26_H	58_S	0.813	0.92
122_V	125_G	0.813	0.92
191_D	194_R	0.803	0.92
19_Q	53_H	0.796	0.92
181_L	184_N	0.789	0.91
136_L	152_R	0.787	0.91
27_R	126_R	0.786	0.91
49_E	53_H	0.779	0.91
134_T	175_H	0.777	0.91
21_E	126_R	0.776	0.91
128_I	173_E	0.774	0.91
188_Q	192_L	0.769	0.90
31_L	48_L	0.765	0.90
91_E	94_N	0.762	0.90
97_V	126_R	0.760	0.90
70_G	84_E	0.744	0.89
111_H	114_E	0.744	0.89
119_R	127_F	0.743	0.89
159_F	162_I	0.743	0.89
111_H	165_V	0.736	0.88
118_V	121_R	0.735	0.88
75_L	81_D	0.733	0.88
46_G	49_E	0.729	0.88
120_E	124_E	0.721	0.87
44_V	185_L	0.718	0.87
29_V	128_I	0.706	0.86
37_S	147_L	0.705	0.86
84_E	91_E	0.704	0.86
93_A	105_T	0.704	0.86
83_K	117_M	0.696	0.85
112_R	167_E	0.693	0.85
131_F	177_N	0.681	0.84
75_L	88_R	0.678	0.84
186_V	189_L	0.676	0.84
37_S	136_L	0.675	0.83
22_L	25_G	0.674	0.83
64_G	145_K	0.674	0.83
113_A	117_M	0.665	0.83
184_N	187_Q	0.659	0.82
178_G	181_L	0.657	0.82
46_G	103_V	0.657	0.82
79_D	113_A	0.655	0.82
151_A	163_D	0.652	0.81
160_T	164_S	0.652	0.81
49_E	59_T	0.652	0.81
73_S	121_R	0.646	0.81
130_V	174_I	0.644	0.81
34_T	109_S	0.644	0.81
23_H	59_T	0.644	0.81
192_L	195_Q	0.636	0.80
79_D	83_K	0.632	0.79
33_F	45_A	0.632	0.79
24_H	28_G	0.627	0.79
70_G	74_D	0.626	0.79
105_T	118_V	0.624	0.78
20_R	60_Y	0.622	0.78
168_A	177_N	0.619	0.78
19_Q	54_K	0.619	0.78
119_R	129_E	0.618	0.78
66_N	91_E	0.610	0.77
140_E	151_A	0.609	0.77
93_A	97_V	0.605	0.76
105_T	108_I	0.602	0.76
86_I	111_H	0.600	0.76
129_E	171_S	0.600	0.76
174_I	188_Q	0.600	0.76
61_L	106_A	0.597	0.75
48_L	193_L	0.597	0.75
60_Y	96_M	0.596	0.75
79_D	158_N	0.596	0.75
35_G	40_G	0.594	0.75
75_L	85_N	0.593	0.75
73_S	117_M	0.591	0.75
19_Q	23_H	0.591	0.75
90_G	122_V	0.590	0.74
65_D	145_K	0.588	0.74
128_I	196_N	0.586	0.74
112_R	129_E	0.586	0.74
174_I	189_L	0.585	0.74
128_I	193_L	0.584	0.74
24_H	53_H	0.584	0.74
144_P	149_K	0.582	0.73
185_L	188_Q	0.582	0.73
109_S	129_E	0.580	0.73
108_I	160_T	0.577	0.73
43_T	182_V	0.573	0.72
127_F	173_E	0.572	0.72
29_V	103_V	0.570	0.72
53_H	59_T	0.569	0.72
108_I	164_S	0.569	0.72
34_T	127_F	0.568	0.72
32_W	129_E	0.568	0.72
74_D	88_R	0.566	0.71
143_D	146_G	0.563	0.71
29_V	97_V	0.562	0.71
122_V	127_F	0.560	0.71
85_N	89_V	0.559	0.70
110_P	160_T	0.559	0.70
85_N	88_R	0.558	0.70
112_R	166_Y	0.555	0.70
36_L	161_G	0.554	0.70
147_L	159_F	0.553	0.70
67_V	71_L	0.551	0.69
109_S	166_Y	0.551	0.69
156_L	159_F	0.550	0.69
80_A	83_K	0.548	0.69
118_V	122_V	0.541	0.68
148_Y	161_G	0.541	0.68
31_L	193_L	0.540	0.68
21_E	26_H	0.540	0.68
25_G	57_V	0.539	0.68
45_A	106_A	0.539	0.68
97_V	123_G	0.539	0.68
46_G	59_T	0.539	0.68
25_G	194_R	0.539	0.68
30_V	105_T	0.539	0.68
87_R	114_E	0.538	0.68
117_M	121_R	0.527	0.66
116_Q	119_R	0.527	0.66
33_F	132_V	0.526	0.66
66_N	95_L	0.525	0.66
187_Q	194_R	0.523	0.65
139_C	152_R	0.523	0.65
30_V	106_A	0.522	0.65
46_G	50_E	0.519	0.65
22_L	55_L	0.517	0.65
28_G	126_R	0.517	0.65
90_G	111_H	0.515	0.64
62_L	103_V	0.514	0.64
77_F	108_I	0.512	0.64
30_V	118_V	0.507	0.63
75_L	110_P	0.505	0.63
87_R	91_E	0.505	0.63
27_R	184_N	0.504	0.63
155_E	163_D	0.503	0.62
187_Q	190_L	0.502	0.62
112_R	173_E	0.502	0.62
61_L	104_L	0.502	0.62
60_Y	97_V	0.500	0.62
44_V	139_C	0.500	0.62

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
1x6vB	2	0.9154	100	0.448	Contact Map
1m8pA	5	1	100	0.502	Contact Map
2gksA	2	1	100	0.505	Contact Map
1m7gA	4	0.9801	100	0.546	Contact Map
3cr8A	4	0.8706	100	0.55	Contact Map
4rfvA	2	0.7015	100	0.586	Contact Map
2pezA	2	0.8657	100	0.602	Contact Map
4bzpA	2	0.8507	100	0.614	Contact Map
2yvuA	2	0.8756	100	0.617	Contact Map
3uieA	2	0.9701	99.9	0.653	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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