CYSC1 - BACSU - GREMLIN Contacts

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CYSC1 - Probable adenylyl-sulfate kinase

UniProt:	O34577	Sequences: MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGEFNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSGQHDREACKNQLIEFVKQKLS	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	197 (178)
Sequences:	2691 (1663)
Seq/√Len:	124.7

ECOLI - CYSC
BACSU - CYSC1 CYSC2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
138_E	150_R	4.264	1.00
136_I	139_Q	3.985	1.00
88_G	116_V	2.855	1.00
131_K	173_V	2.677	1.00
28_I	120_V	2.622	1.00
109_F	162_S	2.621	1.00
179_H	187_Q	2.620	1.00
22_N	56_Q	2.547	1.00
155_P	161_D	2.346	1.00
58_I	96_Q	2.310	1.00
156_F	161_D	2.300	1.00
179_H	184_C	2.242	1.00
133_D	177_G	2.203	1.00
114_Q	118_E	2.200	1.00
28_I	95_V	2.179	1.00
131_K	175_D	2.171	1.00
49_E	186_N	2.113	1.00
174_L	184_C	2.079	1.00
110_R	168_E	2.058	1.00
76_S	79_D	2.049	1.00
31_L	102_I	2.018	1.00
87_I	105_F	2.012	1.00
180_D	183_A	1.996	1.00
69_L	90_V	1.990	1.00
65_I	87_I	1.979	1.00
55_Y	100_I	1.965	1.00
46_A	188_L	1.960	1.00
126_N	191_F	1.955	1.00
45_A	181_R	1.909	1.00
175_D	178_Q	1.881	1.00
148_K	153_E	1.871	1.00
29_L	128_V	1.834	1.00
131_K	166_E	1.809	1.00
53_Q	193_K	1.786	1.00
117_R	171_E	1.734	1.00
181_R	185_K	1.713	1.00
19_Q	26_S	1.678	1.00
132_C	137_C	1.672	1.00
133_D	136_I	1.668	1.00
77_D	162_S	1.659	1.00
129_Y	173_V	1.638	1.00
77_D	109_F	1.626	1.00
49_E	53_Q	1.573	1.00
147_K	151_N	1.517	1.00
110_R	114_Q	1.506	1.00
94_F	99_T	1.451	1.00
74_G	79_D	1.445	1.00
45_A	185_K	1.418	1.00
95_V	120_V	1.416	1.00
186_N	190_E	1.383	1.00
49_E	185_K	1.381	1.00
46_A	185_K	1.365	1.00
24_H	55_Y	1.358	1.00
49_E	52_E	1.337	1.00
21_K	51_F	1.322	1.00
81_K	112_D	1.298	1.00
176_S	184_C	1.293	1.00
82_E	85_R	1.288	1.00
172_L	191_F	1.287	1.00
42_I	130_I	1.285	1.00
42_I	185_K	1.247	1.00
174_L	188_L	1.246	1.00
115_Q	118_E	1.173	0.99
42_I	174_L	1.159	0.99
76_S	156_F	1.151	0.99
134_L	138_E	1.138	0.99
44_N	59_V	1.133	0.99
21_K	56_Q	1.105	0.99
30_W	107_S	1.103	0.99
45_A	48_R	1.100	0.99
129_Y	166_E	1.090	0.99
26_S	95_V	1.088	0.99
150_R	160_I	1.073	0.99
132_C	176_S	1.057	0.98
68_G	89_E	1.049	0.98
132_C	136_I	1.049	0.98
116_V	125_F	1.045	0.98
17_E	20_Q	1.040	0.98
35_S	106_I	1.032	0.98
81_K	111_E	1.029	0.98
92_K	119_L	1.019	0.98
28_I	91_A	1.018	0.98
48_R	52_E	1.012	0.98
88_G	119_L	1.012	0.98
46_A	189_I	1.009	0.98
136_I	177_G	1.008	0.98
45_A	49_E	1.004	0.98
65_I	105_F	0.998	0.98
47_A	102_I	0.993	0.98
110_R	166_E	0.993	0.98
84_I	105_F	0.961	0.97
27_S	100_I	0.955	0.97
121_E	124_E	0.951	0.97
114_Q	168_E	0.938	0.97
157_F	161_D	0.934	0.96
47_A	59_V	0.929	0.96
190_E	194_Q	0.926	0.96
27_S	192_V	0.923	0.96
84_I	116_V	0.921	0.96
127_E	170_P	0.918	0.96
126_N	172_L	0.911	0.96
170_P	173_V	0.910	0.96
34_L	137_C	0.904	0.96
32_T	164_Y	0.896	0.96
58_I	97_Q	0.891	0.95
46_A	102_I	0.881	0.95
64_N	67_H	0.876	0.95
49_E	189_I	0.874	0.95
19_Q	25_K	0.874	0.95
36_G	142_P	0.863	0.95
107_S	125_F	0.863	0.95
135_D	139_Q	0.861	0.94
17_E	48_R	0.860	0.94
181_R	184_C	0.855	0.94
94_F	97_Q	0.854	0.94
132_C	177_G	0.849	0.94
187_Q	190_E	0.841	0.94
120_V	124_E	0.840	0.94
156_F	162_S	0.839	0.94
120_V	123_G	0.834	0.93
19_Q	22_N	0.833	0.93
24_H	56_Q	0.832	0.93
49_E	182_E	0.829	0.93
53_Q	189_I	0.825	0.93
25_K	124_E	0.822	0.93
138_E	160_I	0.817	0.93
36_G	145_L	0.816	0.93
45_A	182_E	0.812	0.93
29_L	46_A	0.807	0.92
179_H	183_A	0.805	0.92
190_E	193_K	0.805	0.92
187_Q	191_F	0.804	0.92
134_L	160_I	0.803	0.92
17_E	51_F	0.803	0.92
47_A	51_F	0.802	0.92
126_N	171_E	0.796	0.92
18_Y	47_A	0.790	0.91
134_L	150_R	0.782	0.91
73_L	79_D	0.780	0.91
19_Q	124_E	0.779	0.91
157_F	160_I	0.773	0.91
117_R	125_F	0.760	0.90
95_V	124_E	0.757	0.90
68_G	82_E	0.756	0.90
89_E	92_K	0.753	0.89
116_V	119_L	0.752	0.89
132_C	173_V	0.751	0.89
44_N	47_A	0.748	0.89
109_F	112_D	0.742	0.89
27_S	126_N	0.739	0.89
62_G	143_K	0.739	0.89
42_I	184_C	0.735	0.88
129_Y	175_D	0.716	0.87
109_F	163_P	0.713	0.87
180_D	184_C	0.706	0.86
81_K	115_Q	0.702	0.86
22_N	26_S	0.696	0.85
35_S	145_L	0.695	0.85
91_A	103_T	0.688	0.85
110_R	165_E	0.686	0.85
82_E	89_E	0.683	0.84
35_S	134_L	0.682	0.84
128_V	172_L	0.671	0.83
118_E	122_A	0.670	0.83
71_R	119_L	0.666	0.83
183_A	186_N	0.661	0.82
47_A	57_V	0.654	0.82
77_D	111_E	0.652	0.81
158_T	162_S	0.652	0.81
18_Y	58_I	0.652	0.81
73_L	86_R	0.652	0.81
58_I	94_F	0.650	0.81
32_T	107_S	0.646	0.81
22_N	51_F	0.645	0.81
185_K	188_L	0.644	0.81
64_N	89_E	0.642	0.80
111_E	115_Q	0.641	0.80
68_G	72_D	0.639	0.80
21_K	57_V	0.637	0.80
33_G	38_G	0.637	0.80
149_A	161_D	0.633	0.80
44_N	101_V	0.632	0.79
77_D	81_K	0.628	0.79
103_T	116_V	0.625	0.79
59_V	104_A	0.621	0.78
166_E	175_D	0.620	0.78
20_Q	23_K	0.620	0.78
138_E	149_A	0.618	0.78
63_D	143_K	0.618	0.78
17_E	21_K	0.612	0.77
46_A	192_V	0.612	0.77
110_R	127_E	0.610	0.77
73_L	83_N	0.610	0.77
17_E	52_E	0.609	0.77
31_L	43_A	0.608	0.77
103_T	106_I	0.606	0.77
127_E	169_A	0.605	0.76
91_A	95_V	0.599	0.76
88_G	120_V	0.597	0.76
184_C	187_Q	0.595	0.75
154_I	157_F	0.593	0.75
172_L	187_Q	0.590	0.75
106_I	158_T	0.589	0.75
172_L	188_L	0.586	0.74
126_N	192_V	0.580	0.73
107_S	127_E	0.580	0.73
117_R	127_E	0.580	0.73
77_D	156_F	0.580	0.73
65_I	69_L	0.580	0.73
51_F	57_V	0.579	0.73
41_T	181_R	0.579	0.73
84_I	109_F	0.575	0.73
108_P	158_T	0.573	0.73
27_S	101_V	0.570	0.72
141_D	144_G	0.569	0.72
28_I	104_A	0.567	0.72
78_E	81_K	0.564	0.71
125_F	164_Y	0.564	0.71
107_S	164_Y	0.562	0.71
71_R	115_Q	0.558	0.71
72_D	86_R	0.558	0.71
106_I	162_S	0.557	0.70
30_W	127_E	0.557	0.70
120_V	125_F	0.556	0.70
85_R	112_D	0.555	0.70
44_N	48_R	0.553	0.70
83_N	87_I	0.552	0.70
41_T	63_D	0.550	0.69
44_N	57_V	0.547	0.69
28_I	103_T	0.547	0.69
83_N	86_R	0.545	0.69
27_S	95_V	0.542	0.68
110_R	164_Y	0.541	0.68
31_L	130_I	0.541	0.68
64_N	93_L	0.539	0.68
145_L	157_F	0.539	0.68
142_P	147_K	0.539	0.68
32_T	125_F	0.539	0.68
23_K	55_Y	0.536	0.68
191_F	194_Q	0.535	0.67
171_E	191_F	0.533	0.67
116_V	120_V	0.532	0.67
186_N	193_K	0.530	0.67
26_S	124_E	0.529	0.66
31_L	188_L	0.525	0.66
75_F	106_I	0.523	0.66
43_A	104_A	0.521	0.65
137_C	150_R	0.520	0.65
95_V	121_E	0.520	0.65
115_Q	119_L	0.513	0.64
23_K	193_K	0.512	0.64
20_Q	53_Q	0.511	0.64
19_Q	24_H	0.510	0.64
31_L	42_I	0.509	0.64
18_Y	22_N	0.509	0.64
83_N	108_P	0.508	0.63
26_S	99_T	0.507	0.63
43_A	72_D	0.507	0.63
153_E	161_D	0.504	0.63
85_R	89_E	0.504	0.63
125_F	171_E	0.504	0.63
88_G	109_F	0.501	0.62
60_L	101_V	0.501	0.62
29_L	102_I	0.500	0.62
58_I	95_V	0.500	0.62
48_R	111_E	0.500	0.62
189_I	193_K	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	0.9239	100	0.443	Contact Map
1m8pA	5	1	100	0.509	Contact Map
2gksA	2	1	100	0.519	Contact Map
1m7gA	4	0.9898	100	0.541	Contact Map
3cr8A	4	0.868	100	0.543	Contact Map
4rfvA	2	0.7157	100	0.573	Contact Map
2yvuA	2	0.8985	100	0.601	Contact Map
2pezA	2	0.8832	100	0.603	Contact Map
4bzpA	2	0.868	100	0.609	Contact Map
3uieA	2	0.9797	99.9	0.656	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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