CYSH - ECOLI - GREMLIN Contacts

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CYSH - Phosphoadenosine phosphosulfate reductase

UniProt:	P17854	Sequences: MSKLDLNALNELPKVDRILALAETNAELEKLDAEGRVAWALDNLPGEYVLSSSFGIQAAVSLHLVNQIRPDIPVILTDTGYLFPETYRFIDELTDKLKLNLKVYRATESAAWQEARYGKLWEQGVEGIEKYNDINKVEPMNRALKELNAQTWFAGLRREQSGSRANLPVLAIQRGVFKVLPIIDWDNRTIYQYLQKHGLKYHPLWDEGYLSVGDTHTTRKWEPGMAEEETRFFGLKRECGLHEG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG10189
Length:	244 (207)
Sequences:	4370 (2524)
Seq/√Len:	175.4

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
201_Y	206_D	3.524	1.00
63_H	67_Q	3.298	1.00
119_K	122_E	2.893	1.00
47_E	148_N	2.883	1.00
37_V	153_F	2.675	1.00
84_P	88_R	2.587	1.00
27_E	196_K	2.460	1.00
131_Y	217_T	2.421	1.00
133_D	138_E	2.373	1.00
63_H	193_Y	2.324	1.00
73_P	102_K	2.303	1.00
44_L	151_T	2.235	1.00
88_R	92_E	2.178	1.00
130_K	133_D	2.055	1.00
36_R	169_V	1.980	1.00
92_E	96_K	1.971	1.00
67_Q	197_H	1.926	1.00
67_Q	193_Y	1.918	1.00
225_M	229_E	1.879	1.00
189_T	192_Q	1.871	1.00
78_D	103_V	1.832	1.00
62_L	74_V	1.825	1.00
56_I	194_L	1.811	1.00
159_E	187_N	1.769	1.00
131_Y	214_D	1.754	1.00
78_D	87_Y	1.715	1.00
104_Y	143_A	1.701	1.00
214_D	217_T	1.700	1.00
84_P	215_T	1.669	1.00
76_L	82_L	1.666	1.00
138_E	142_R	1.658	1.00
33_A	64_L	1.651	1.00
132_N	217_T	1.630	1.00
40_A	48_Y	1.596	1.00
186_D	189_T	1.543	1.00
63_H	66_N	1.530	1.00
92_E	200_K	1.516	1.00
151_T	179_V	1.496	1.00
185_W	193_Y	1.484	1.00
50_L	61_S	1.482	1.00
132_N	214_D	1.480	1.00
39_W	43_N	1.469	1.00
85_E	207_E	1.432	1.00
56_I	212_V	1.396	1.00
219_R	233_F	1.386	1.00
108_E	112_W	1.374	1.00
86_T	202_H	1.371	1.00
50_L	65_V	1.366	1.00
228_E	231_R	1.360	1.00
192_Q	196_K	1.360	1.00
207_E	220_K	1.355	1.00
205_W	210_L	1.355	1.00
167_L	183_I	1.352	1.00
61_S	153_F	1.349	1.00
63_H	197_H	1.348	1.00
170_L	179_V	1.344	1.00
102_K	147_L	1.336	1.00
113_Q	117_Y	1.333	1.00
210_L	221_W	1.332	1.00
40_A	179_V	1.330	1.00
36_R	184_D	1.315	1.00
38_A	68_I	1.311	1.00
158_R	183_I	1.307	1.00
191_Y	201_Y	1.289	1.00
188_R	192_Q	1.283	1.00
96_K	198_G	1.281	1.00
107_T	111_A	1.276	1.00
61_S	182_I	1.276	1.00
156_L	167_L	1.275	1.00
75_I	143_A	1.275	1.00
35_G	38_A	1.271	1.00
44_L	177_F	1.251	1.00
112_W	116_R	1.248	1.00
94_T	101_L	1.245	1.00
37_V	65_V	1.242	1.00
34_E	38_A	1.239	1.00
226_A	229_E	1.236	1.00
154_A	180_L	1.230	1.00
159_E	186_D	1.229	1.00
37_V	64_L	1.208	1.00
54_F	90_I	1.195	1.00
187_N	191_Y	1.187	1.00
34_E	64_L	1.185	1.00
64_L	68_I	1.184	1.00
48_Y	151_T	1.176	1.00
34_E	67_Q	1.169	1.00
117_Y	130_K	1.153	1.00
193_Y	197_H	1.153	1.00
32_D	35_G	1.153	1.00
222_E	225_M	1.136	1.00
59_A	93_L	1.130	1.00
38_A	42_D	1.120	1.00
104_Y	146_E	1.119	1.00
25_N	28_L	1.115	1.00
204_L	212_V	1.115	1.00
167_L	171_A	1.107	1.00
227_E	231_R	1.104	1.00
91_D	95_D	1.102	1.00
60_V	190_I	1.102	1.00
111_A	115_A	1.094	1.00
34_E	68_I	1.092	1.00
201_Y	205_W	1.082	1.00
60_V	194_L	1.066	1.00
64_L	193_Y	1.061	1.00
71_D	100_N	1.059	1.00
172_I	177_F	1.059	1.00
56_I	205_W	1.055	1.00
26_A	30_K	1.054	1.00
65_V	72_I	1.049	1.00
194_L	199_L	1.045	1.00
104_Y	142_R	1.045	1.00
191_Y	205_W	1.042	0.99
92_E	95_D	1.035	0.99
191_Y	195_Q	1.035	0.99
73_P	100_N	1.034	0.99
90_I	94_T	1.028	0.99
73_P	147_L	1.023	0.99
60_V	193_Y	1.021	0.99
25_N	29_E	1.005	0.99
156_L	183_I	1.005	0.99
225_M	228_E	1.005	0.99
70_P	99_L	0.989	0.99
143_A	146_E	0.987	0.99
93_L	97_L	0.986	0.99
81_Y	216_H	0.984	0.99
87_Y	90_I	0.980	0.99
62_L	93_L	0.971	0.99
36_R	179_V	0.968	0.99
107_T	138_E	0.965	0.99
194_L	201_Y	0.959	0.99
156_L	180_L	0.957	0.99
31_L	35_G	0.956	0.99
60_V	63_H	0.955	0.99
41_L	44_L	0.947	0.99
53_S	58_A	0.944	0.99
33_A	185_W	0.942	0.99
158_R	184_D	0.941	0.99
63_H	199_L	0.941	0.99
91_D	94_T	0.924	0.99
187_N	210_L	0.921	0.99
168_P	171_A	0.918	0.99
114_E	118_G	0.917	0.99
187_N	227_E	0.914	0.99
79_T	136_K	0.911	0.99
225_M	233_F	0.910	0.99
55_G	58_A	0.908	0.99
98_K	106_A	0.905	0.99
91_D	103_V	0.895	0.98
56_I	191_Y	0.892	0.98
66_N	97_L	0.891	0.98
63_H	97_L	0.882	0.98
51_S	75_I	0.870	0.98
144_L	152_W	0.860	0.98
80_G	105_R	0.857	0.98
81_Y	121_W	0.853	0.98
94_T	100_N	0.853	0.98
219_R	229_E	0.852	0.98
222_E	227_E	0.840	0.98
77_T	104_Y	0.838	0.98
192_Q	195_Q	0.832	0.98
224_G	227_E	0.830	0.98
130_K	134_I	0.829	0.97
219_R	225_M	0.821	0.97
163_S	167_L	0.820	0.97
107_T	142_R	0.817	0.97
94_T	103_V	0.815	0.97
28_L	31_L	0.814	0.97
48_Y	153_F	0.811	0.97
90_I	103_V	0.806	0.97
35_G	39_W	0.804	0.97
95_D	166_N	0.801	0.97
125_V	129_E	0.800	0.97
223_P	227_E	0.797	0.97
89_F	201_Y	0.794	0.97
60_V	185_W	0.780	0.96
211_S	218_T	0.779	0.96
57_Q	160_Q	0.778	0.96
30_K	34_E	0.777	0.96
169_V	183_I	0.775	0.96
131_Y	136_K	0.774	0.96
92_E	203_P	0.769	0.96
60_V	182_I	0.757	0.96
66_N	99_L	0.756	0.96
225_M	231_R	0.754	0.96
83_F	209_Y	0.754	0.96
109_S	138_E	0.742	0.95
136_K	214_D	0.738	0.95
39_W	170_L	0.738	0.95
108_E	116_R	0.738	0.95
223_P	226_A	0.733	0.95
76_L	90_I	0.729	0.95
75_I	104_Y	0.729	0.95
49_V	75_I	0.727	0.95
162_G	165_A	0.723	0.94
81_Y	215_T	0.722	0.94
51_S	210_L	0.716	0.94
62_L	97_L	0.715	0.94
138_E	141_N	0.715	0.94
113_Q	120_L	0.714	0.94
62_L	99_L	0.714	0.94
80_G	106_A	0.712	0.94
170_L	177_F	0.711	0.94
46_G	73_P	0.708	0.94
52_S	59_A	0.705	0.94
88_R	91_D	0.700	0.93
121_W	137_V	0.699	0.93
59_A	89_F	0.695	0.93
33_A	36_R	0.694	0.93
94_T	99_L	0.693	0.93
131_Y	135_N	0.692	0.93
81_Y	110_A	0.691	0.93
115_A	118_G	0.691	0.93
79_T	213_G	0.680	0.92
56_I	160_Q	0.676	0.92
53_S	155_G	0.673	0.92
83_F	204_L	0.672	0.92
88_R	203_P	0.668	0.92
169_V	184_D	0.667	0.92
85_E	88_R	0.665	0.92
81_Y	114_E	0.663	0.92
168_P	183_I	0.661	0.91
226_A	230_T	0.660	0.91
26_A	29_E	0.659	0.91
225_M	230_T	0.658	0.91
217_T	233_F	0.657	0.91
172_I	176_V	0.647	0.91
117_Y	120_L	0.641	0.90
57_Q	205_W	0.641	0.90
108_E	117_Y	0.637	0.90
113_Q	118_G	0.637	0.90
120_L	134_I	0.637	0.90
104_Y	147_L	0.636	0.90
171_A	180_L	0.633	0.90
100_N	147_L	0.630	0.89
227_E	230_T	0.629	0.89
120_L	123_Q	0.628	0.89
211_S	230_T	0.625	0.89
85_E	203_P	0.623	0.89
97_L	199_L	0.621	0.89
125_V	235_L	0.616	0.88
53_S	161_S	0.613	0.88
76_L	87_Y	0.611	0.88
100_N	104_Y	0.609	0.88
203_P	207_E	0.608	0.88
82_L	211_S	0.598	0.87
96_K	200_K	0.597	0.87
57_Q	191_Y	0.595	0.87
81_Y	214_D	0.591	0.86
105_R	110_A	0.590	0.86
120_L	124_G	0.588	0.86
102_K	143_A	0.586	0.86
224_G	228_E	0.586	0.86
29_E	32_D	0.585	0.86
86_T	212_V	0.584	0.86
54_F	59_A	0.582	0.85
52_S	89_F	0.582	0.85
209_Y	220_K	0.581	0.85
28_L	32_D	0.581	0.85
135_N	219_R	0.580	0.85
221_W	225_M	0.579	0.85
172_I	175_G	0.575	0.85
69_R	100_N	0.574	0.85
54_F	160_Q	0.573	0.84
89_F	203_P	0.566	0.84
33_A	40_A	0.565	0.84
55_G	155_G	0.564	0.83
32_D	184_D	0.563	0.83
53_S	214_D	0.563	0.83
82_L	136_K	0.562	0.83
100_N	103_V	0.561	0.83
142_R	146_E	0.561	0.83
111_A	114_E	0.560	0.83
158_R	163_S	0.560	0.83
50_L	58_A	0.559	0.83
25_N	30_K	0.557	0.83
83_F	218_T	0.554	0.82
77_T	211_S	0.550	0.82
152_W	178_K	0.547	0.82
77_T	154_A	0.547	0.82
165_A	183_I	0.546	0.81
74_V	99_L	0.546	0.81
42_D	45_P	0.545	0.81
50_L	59_A	0.545	0.81
220_K	223_P	0.544	0.81
228_E	232_F	0.543	0.81
144_L	176_V	0.540	0.81
69_R	72_I	0.539	0.81
129_E	235_L	0.538	0.81
143_A	147_L	0.535	0.80
27_E	30_K	0.534	0.80
66_N	70_P	0.532	0.80
88_R	95_D	0.531	0.80
82_L	215_T	0.531	0.80
113_Q	135_N	0.531	0.80
65_V	70_P	0.525	0.79
93_L	96_K	0.520	0.78
79_T	217_T	0.520	0.78
25_N	192_Q	0.519	0.78
62_L	66_N	0.518	0.78
40_A	151_T	0.513	0.77
101_L	104_Y	0.513	0.77
123_Q	193_Y	0.511	0.77
87_Y	105_R	0.508	0.77
204_L	209_Y	0.508	0.77
55_G	190_I	0.506	0.76
42_D	165_A	0.505	0.76
79_T	214_D	0.503	0.76
28_L	170_L	0.502	0.76
30_K	196_K	0.501	0.76
37_V	41_L	0.500	0.76

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	0.8811	100	0.282	Contact Map
2o8vA	2	0.9385	100	0.294	Contact Map
2oq2A	2	0.9672	100	0.296	Contact Map
2goyA	3	0.8689	100	0.343	Contact Map
1zunA	1	0.7131	100	0.41	Contact Map
3fwkA	1	0.8852	100	0.454	Contact Map
2wsiA	1	0.8811	100	0.465	Contact Map
1surA	2	0.8811	100	0.49	Contact Map
2pg3A	2	0.791	99.8	0.695	Contact Map
3k32A	2	0.7623	99.8	0.7	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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