CYSH2 - BACSU - GREMLIN Contacts

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CYSH2 - Probable phosphoadenosine phosphosulfate reductase

UniProt:	O06737	Sequences: MNETITYDTWNDMLSKQITDQLIDELDVLKWAYRTYGEKIVYACSFGAEGMVLLDLISKINKNAHIIFLDTGLHFQETYELIETVKERYPGFAIQMLEPELSLTEQGTKYGGELWKHNPNLCCQLRKIEPLKKHLSGMTAWISGLRRDQSPTRKHIQYVNLDQKFELIKICPLIHWTWDDVWTYIRLHNLPYNKLHDQHYPSIGCEMCTLPSPDPNDERAGRWAGREKTECGLHQE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	236 (203)
Sequences:	4660 (2733)
Seq/√Len:	191.8

ECOLI - CYSH CYSD
BACSU - CYSH2 CYSH1
HALSA - Q9HS08
SULSO - Q97UT3

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
39_K	139_T	4.287	1.00
192_Y	197_D	4.192	1.00
55_D	59_K	3.412	1.00
113_E	116_K	2.837	1.00
29_L	142_I	2.747	1.00
76_Q	80_E	2.732	1.00
55_D	184_Y	2.408	1.00
122_C	208_C	2.404	1.00
124_Q	129_E	2.380	1.00
65_H	95_Q	2.229	1.00
84_T	88_R	2.217	1.00
80_E	84_T	2.074	1.00
36_Y	140_A	2.048	1.00
121_L	124_Q	1.988	1.00
148_D	178_W	1.980	1.00
59_K	188_H	1.956	1.00
54_L	66_I	1.951	1.00
59_K	184_Y	1.900	1.00
180_D	183_T	1.897	1.00
122_C	205_C	1.877	1.00
31_W	35_T	1.877	1.00
48_A	185_I	1.833	1.00
106_Q	111_G	1.829	1.00
177_T	180_D	1.767	1.00
205_C	208_C	1.767	1.00
28_V	158_Y	1.761	1.00
129_E	133_K	1.751	1.00
183_T	187_L	1.737	1.00
216_N	220_A	1.722	1.00
176_W	184_Y	1.713	1.00
105_E	109_K	1.709	1.00
68_F	74_H	1.697	1.00
70_D	79_Y	1.690	1.00
76_Q	206_E	1.656	1.00
123_C	208_C	1.616	1.00
55_D	58_S	1.568	1.00
97_L	134_H	1.543	1.00
70_D	96_M	1.536	1.00
143_S	171_C	1.514	1.00
84_T	191_P	1.499	1.00
123_C	205_C	1.492	1.00
32_A	40_I	1.485	1.00
217_D	220_A	1.474	1.00
53_L	142_I	1.474	1.00
140_A	170_I	1.454	1.00
156_I	174_I	1.450	1.00
107_G	111_G	1.446	1.00
78_T	193_N	1.438	1.00
201_P	212_S	1.418	1.00
104_T	108_T	1.415	1.00
30_K	60_I	1.403	1.00
55_D	188_H	1.393	1.00
25_E	56_L	1.384	1.00
27_D	30_K	1.367	1.00
179_D	183_T	1.364	1.00
36_Y	168_I	1.359	1.00
54_L	85_V	1.356	1.00
48_A	203_I	1.356	1.00
42_Y	57_I	1.352	1.00
157_Q	160_N	1.349	1.00
29_L	57_I	1.331	1.00
147_R	174_I	1.325	1.00
88_R	189_N	1.319	1.00
210_L	224_A	1.311	1.00
182_W	192_Y	1.297	1.00
32_A	170_I	1.294	1.00
196_H	201_P	1.281	1.00
56_L	60_I	1.273	1.00
28_V	175_H	1.272	1.00
77_E	198_Q	1.271	1.00
41_V	67_I	1.263	1.00
42_Y	53_L	1.261	1.00
29_L	56_L	1.240	1.00
26_L	59_K	1.235	1.00
53_L	173_L	1.232	1.00
219_R	222_R	1.230	1.00
148_D	177_T	1.207	1.00
145_L	156_I	1.206	1.00
132_K	165_F	1.200	1.00
46_F	82_I	1.184	1.00
184_Y	188_H	1.183	1.00
83_E	86_K	1.169	1.00
83_E	87_E	1.160	1.00
30_K	34_R	1.138	1.00
26_L	30_K	1.136	1.00
100_E	104_T	1.128	1.00
56_L	184_Y	1.123	1.00
178_W	182_W	1.121	1.00
26_L	56_L	1.120	1.00
198_Q	211_P	1.116	1.00
108_T	111_G	1.113	1.00
52_V	185_I	1.100	1.00
40_I	140_A	1.086	1.00
52_V	181_V	1.086	1.00
145_L	171_C	1.083	1.00
161_L	168_I	1.073	1.00
73_L	207_M	1.067	1.00
67_I	134_H	1.066	1.00
178_W	218_E	1.061	1.00
52_V	184_Y	1.060	1.00
195_L	203_I	1.054	1.00
47_G	50_G	1.049	1.00
40_I	142_I	1.048	1.00
147_R	175_H	1.037	1.00
24_D	27_D	1.032	1.00
48_A	182_W	1.028	1.00
213_P	216_N	1.024	1.00
182_W	186_R	1.020	1.00
106_Q	110_Y	1.018	1.00
192_Y	196_H	1.017	1.00
89_Y	92_F	1.015	1.00
51_M	85_V	1.008	1.00
132_K	136_S	1.008	1.00
55_D	89_Y	1.003	1.00
86_K	94_I	0.995	0.99
63_N	93_A	0.992	0.99
119_P	226_R	0.980	0.99
52_V	55_D	0.962	0.99
94_I	99_P	0.958	0.99
145_L	174_I	0.957	0.99
33_Y	36_Y	0.941	0.99
185_I	190_L	0.941	0.99
26_L	60_I	0.940	0.99
182_W	196_H	0.939	0.99
82_I	86_K	0.927	0.99
185_I	192_Y	0.908	0.99
57_I	64_A	0.906	0.99
135_L	141_W	0.906	0.99
65_H	93_A	0.904	0.99
151_P	154_K	0.899	0.99
23_I	27_D	0.896	0.99
45_S	50_G	0.894	0.99
159_V	170_I	0.893	0.99
48_A	196_H	0.892	0.99
65_H	138_M	0.887	0.99
121_L	125_L	0.885	0.99
27_D	31_W	0.881	0.99
156_I	160_N	0.878	0.99
55_D	190_L	0.876	0.99
28_V	170_I	0.874	0.99
86_K	93_A	0.873	0.99
100_E	129_E	0.865	0.99
161_L	166_E	0.863	0.99
210_L	220_A	0.861	0.99
101_L	105_E	0.859	0.99
123_C	127_K	0.858	0.99
103_L	106_Q	0.856	0.98
85_V	89_Y	0.852	0.98
158_Y	175_H	0.851	0.98
163_Q	166_E	0.843	0.98
58_S	89_Y	0.842	0.98
79_Y	82_I	0.840	0.98
52_V	173_L	0.833	0.98
104_T	107_G	0.833	0.98
21_Q	24_D	0.832	0.98
183_T	186_R	0.823	0.98
129_E	132_K	0.823	0.98
122_C	127_K	0.820	0.98
25_E	176_W	0.815	0.98
66_I	92_F	0.813	0.98
43_A	67_I	0.805	0.98
77_E	80_E	0.804	0.98
122_C	126_R	0.800	0.98
80_E	83_E	0.799	0.98
71_T	127_K	0.796	0.98
202_S	221_G	0.792	0.97
219_R	223_W	0.783	0.97
22_L	26_L	0.780	0.97
102_S	105_E	0.778	0.97
110_Y	121_L	0.774	0.97
97_L	133_K	0.772	0.97
202_S	209_T	0.770	0.97
44_C	85_V	0.762	0.97
194_K	198_Q	0.756	0.97
75_F	195_L	0.755	0.97
49_E	149_Q	0.754	0.97
210_L	216_N	0.752	0.97
75_F	200_Y	0.749	0.96
103_L	107_G	0.747	0.96
52_V	176_W	0.739	0.96
62_K	92_F	0.738	0.96
106_Q	114_L	0.732	0.96
216_N	219_R	0.729	0.96
51_M	81_L	0.726	0.96
21_Q	180_D	0.726	0.96
41_V	138_M	0.725	0.96
44_C	51_M	0.722	0.96
41_V	141_W	0.713	0.95
58_S	92_F	0.712	0.95
25_E	32_A	0.709	0.95
214_D	217_D	0.707	0.95
82_I	96_M	0.702	0.95
157_Q	174_I	0.702	0.95
115_W	118_N	0.697	0.95
103_L	111_G	0.694	0.95
81_L	192_Y	0.693	0.95
68_F	82_I	0.693	0.95
114_L	121_L	0.688	0.94
186_R	197_D	0.687	0.94
72_G	98_E	0.683	0.94
73_L	103_L	0.681	0.94
107_G	115_W	0.679	0.94
127_K	205_C	0.678	0.94
24_D	175_H	0.678	0.94
54_L	89_Y	0.676	0.94
119_P	126_R	0.676	0.94
84_T	194_K	0.674	0.94
73_L	205_C	0.671	0.94
77_E	194_K	0.670	0.94
104_T	115_W	0.658	0.93
122_C	130_P	0.657	0.93
178_W	201_P	0.656	0.93
57_I	62_K	0.655	0.93
28_V	32_A	0.654	0.93
48_A	149_Q	0.654	0.93
102_S	106_Q	0.653	0.93
119_P	122_C	0.649	0.92
122_C	125_L	0.649	0.92
86_K	96_M	0.647	0.92
89_Y	190_L	0.644	0.92
208_C	224_A	0.643	0.92
158_Y	174_I	0.642	0.92
114_L	125_L	0.641	0.92
86_K	92_F	0.641	0.92
73_L	206_E	0.639	0.92
93_A	99_P	0.636	0.92
58_S	62_K	0.634	0.92
219_R	224_A	0.625	0.91
114_L	117_H	0.624	0.91
54_L	92_F	0.623	0.91
176_W	180_D	0.620	0.91
160_N	171_C	0.619	0.91
84_T	87_E	0.613	0.90
88_R	191_P	0.610	0.90
45_S	144_G	0.609	0.90
150_S	153_R	0.606	0.90
22_L	187_L	0.599	0.89
49_E	196_H	0.598	0.89
57_I	142_I	0.597	0.89
195_L	200_Y	0.596	0.89
69_L	202_S	0.593	0.89
154_K	174_I	0.591	0.89
25_E	28_V	0.590	0.88
74_H	202_S	0.589	0.88
81_L	194_K	0.582	0.88
161_L	165_F	0.582	0.88
93_A	96_M	0.581	0.88
83_E	96_M	0.581	0.88
132_K	164_K	0.576	0.87
61_N	64_A	0.576	0.87
78_T	203_I	0.571	0.87
43_A	201_P	0.568	0.87
32_A	140_A	0.568	0.87
49_E	182_W	0.565	0.86
45_S	205_C	0.565	0.86
70_D	98_E	0.565	0.86
127_K	153_R	0.564	0.86
45_S	150_S	0.563	0.86
216_N	224_A	0.560	0.86
38_E	65_H	0.560	0.86
110_Y	114_L	0.560	0.86
69_L	143_S	0.559	0.86
31_W	159_V	0.553	0.85
93_A	97_L	0.552	0.85
102_S	129_E	0.549	0.85
71_T	205_C	0.546	0.84
114_L	118_N	0.545	0.84
67_I	97_L	0.543	0.84
69_L	97_L	0.540	0.84
141_W	169_K	0.540	0.84
212_S	216_N	0.538	0.83
127_K	130_P	0.535	0.83
115_W	121_L	0.534	0.83
24_D	158_Y	0.534	0.83
43_A	141_W	0.533	0.83
182_W	185_I	0.533	0.83
120_N	226_R	0.531	0.83
97_L	137_G	0.531	0.83
47_G	149_Q	0.530	0.83
200_Y	211_P	0.530	0.83
69_L	131_L	0.527	0.82
131_L	135_L	0.526	0.82
218_E	222_R	0.522	0.82
104_T	111_G	0.522	0.82
146_R	182_W	0.520	0.81
73_L	107_G	0.520	0.81
74_H	127_K	0.518	0.81
59_K	179_D	0.517	0.81
71_T	204_G	0.515	0.81
141_W	167_L	0.514	0.81
162_D	165_F	0.514	0.81
68_F	79_Y	0.513	0.80
161_L	167_L	0.512	0.80
161_L	164_K	0.510	0.80
107_G	110_Y	0.509	0.80
46_F	149_Q	0.508	0.80
30_K	33_Y	0.508	0.80
39_K	137_G	0.507	0.80
77_E	195_L	0.505	0.79
25_E	158_Y	0.505	0.79
95_Q	137_G	0.504	0.79
94_I	100_E	0.500	0.79
24_D	28_V	0.500	0.79
47_G	181_V	0.500	0.79

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
4bwvA	2	0.9025	100	0.279	Contact Map
2oq2A	2	0.9958	100	0.285	Contact Map
2goyA	3	0.8941	100	0.331	Contact Map
2o8vA	2	0.9025	100	0.35	Contact Map
1zunA	1	0.7246	100	0.398	Contact Map
3fwkA	1	0.8941	100	0.429	Contact Map
2wsiA	1	0.8856	100	0.446	Contact Map
1surA	2	0.8517	100	0.521	Contact Map
2ywbA	4	0.9364	99.8	0.694	Contact Map
2dplA	2	0.822	99.8	0.698	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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