TYSY1 - BACSU - GREMLIN Contacts

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TYSY1 - Thymidylate synthase 1

UniProt:	P0CI79	Sequences: MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVISKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNMMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDELDAMALTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYDFTIDDFKLINYKHGDKLLFEVAV	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	279 (262)
Sequences:	2940 (1311)
Seq/√Len:	81.0

ECOLI - TYSY
BACSU - TYSY1 TYSY2

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
15_I	185_M	3.849	1.00
240_F	269_H	3.693	1.00
14_D	18_N	3.615	1.00
76_W	127_V	3.398	1.00
253_D	256_D	3.054	1.00
14_D	46_K	2.995	1.00
21_S	41_L	2.887	1.00
240_F	268_K	2.833	1.00
133_Q	143_H	2.748	1.00
223_V	231_L	2.656	1.00
132_H	136_N	2.568	1.00
218_I	221_C	2.545	1.00
64_A	67_T	2.529	1.00
233_I	236_E	2.505	1.00
92_H	95_D	2.502	1.00
13_K	17_N	2.487	1.00
176_L	200_Q	2.457	1.00
130_L	143_H	2.413	1.00
14_D	43_V	2.324	1.00
201_R	211_L	2.283	1.00
65_W	69_I	2.249	1.00
246_W	263_K	2.154	1.00
84_N	88_M	2.115	1.00
21_S	225_T	2.106	1.00
201_R	245_L	2.075	1.00
83_V	87_N	2.075	1.00
246_W	265_I	2.073	1.00
131_L	203_I	2.052	1.00
240_F	270_G	2.035	1.00
41_L	228_I	1.986	1.00
80_S	110_F	1.978	1.00
16_I	232_K	1.944	1.00
131_L	254_F	1.918	1.00
206_V	257_F	1.914	1.00
113_G	125_D	1.891	1.00
34_D	39_H	1.868	1.00
51_D	54_E	1.827	1.00
33_S	139_S	1.812	1.00
183_N	189_N	1.811	1.00
32_D	139_S	1.794	1.00
248_N	261_D	1.790	1.00
69_I	262_F	1.728	1.00
70_K	89_M	1.715	1.00
110_F	117_R	1.704	1.00
63_V	68_A	1.689	1.00
134_L	207_T	1.688	1.00
49_R	213_E	1.674	1.00
53_S	173_K	1.644	1.00
70_K	85_D	1.630	1.00
247_I	262_F	1.613	1.00
244_E	266_N	1.604	1.00
85_D	89_M	1.596	1.00
87_N	92_H	1.593	1.00
41_L	225_T	1.592	1.00
70_K	91_V	1.570	1.00
116_N	121_G	1.560	1.00
114_K	123_K	1.535	0.99
12_I	231_L	1.525	0.99
87_N	95_D	1.521	0.99
57_I	63_V	1.499	0.99
118_S	122_E	1.496	0.99
251_V	257_F	1.495	0.99
145_T	165_T	1.452	0.99
216_F	221_C	1.441	0.99
21_S	228_I	1.425	0.99
12_I	185_M	1.422	0.99
20_I	171_H	1.419	0.99
238_E	270_G	1.418	0.99
173_K	210_E	1.415	0.99
248_N	263_K	1.413	0.99
131_L	207_T	1.398	0.99
43_V	46_K	1.385	0.99
185_M	221_C	1.384	0.99
42_S	168_Y	1.383	0.99
134_L	143_H	1.380	0.99
66_K	90_G	1.377	0.99
130_L	203_I	1.341	0.99
133_Q	137_N	1.338	0.99
20_I	170_K	1.315	0.98
178_V	214_Y	1.310	0.98
172_G	209_Y	1.298	0.98
167_W	203_I	1.293	0.98
206_V	251_V	1.292	0.98
153_L	159_T	1.287	0.98
130_L	133_Q	1.267	0.98
57_I	264_L	1.264	0.98
245_L	262_F	1.257	0.98
244_E	265_I	1.255	0.98
129_Y	133_Q	1.241	0.98
70_K	259_I	1.237	0.98
38_A	278_A	1.235	0.98
245_L	264_L	1.234	0.98
6_K	10_S	1.233	0.97
128_D	132_H	1.229	0.97
201_R	264_L	1.217	0.97
152_E	155_A	1.205	0.97
249_P	252_K	1.196	0.97
97_W	277_V	1.176	0.97
65_W	264_L	1.168	0.97
21_S	33_S	1.165	0.96
231_L	275_F	1.147	0.96
183_N	218_I	1.133	0.96
146_M	150_P	1.131	0.96
47_Q	217_N	1.130	0.96
110_F	123_K	1.130	0.96
110_F	152_E	1.121	0.96
223_V	275_F	1.117	0.95
229_D	232_K	1.117	0.95
128_D	255_Y	1.116	0.95
228_I	232_K	1.115	0.95
186_A	275_F	1.109	0.95
46_K	185_M	1.104	0.95
167_W	176_L	1.097	0.95
168_Y	175_H	1.085	0.95
9_N	239_Q	1.077	0.95
16_I	228_I	1.058	0.94
130_L	167_W	1.052	0.94
241_E	268_K	1.049	0.94
11_I	185_M	1.042	0.93
79_K	85_D	1.039	0.93
16_I	223_V	1.039	0.93
117_R	122_E	1.039	0.93
226_R	278_A	1.033	0.93
129_Y	132_H	1.028	0.93
177_E	217_N	1.022	0.93
118_S	124_V	1.013	0.92
129_Y	154_D	1.008	0.92
180_A	183_N	0.998	0.92
272_K	277_V	0.993	0.92
183_N	216_F	0.993	0.92
202_M	206_V	0.992	0.92
185_M	189_N	0.991	0.92
186_A	231_L	0.985	0.91
268_K	271_D	0.983	0.91
117_R	123_K	0.974	0.91
12_I	223_V	0.973	0.91
134_L	203_I	0.962	0.90
169_V	209_Y	0.961	0.90
186_A	230_N	0.957	0.90
84_N	87_N	0.944	0.90
205_Q	249_P	0.943	0.90
63_V	272_K	0.943	0.90
49_R	215_I	0.941	0.89
111_Q	149_N	0.938	0.89
130_L	145_T	0.937	0.89
60_T	234_Q	0.936	0.89
18_N	43_V	0.929	0.89
34_D	38_A	0.926	0.89
201_R	262_F	0.920	0.88
179_R	219_G	0.920	0.88
70_K	258_T	0.914	0.88
39_H	225_T	0.914	0.88
189_N	218_I	0.913	0.88
62_K	272_K	0.912	0.88
230_N	275_F	0.911	0.88
134_L	209_Y	0.904	0.87
205_Q	248_N	0.904	0.87
119_L	123_K	0.897	0.87
53_S	212_G	0.893	0.87
175_H	213_E	0.892	0.87
110_F	114_K	0.886	0.86
53_S	210_E	0.874	0.86
11_I	46_K	0.873	0.86
9_N	234_Q	0.868	0.85
133_Q	136_N	0.866	0.85
6_K	242_A	0.863	0.85
170_K	175_H	0.863	0.85
202_M	262_F	0.860	0.85
69_I	264_L	0.860	0.85
18_N	46_K	0.857	0.85
13_K	232_K	0.851	0.84
172_G	210_E	0.850	0.84
233_I	272_K	0.850	0.84
85_D	88_M	0.847	0.84
87_N	90_G	0.846	0.84
69_I	198_V	0.844	0.84
65_W	245_L	0.844	0.84
225_T	228_I	0.840	0.83
229_D	233_I	0.840	0.83
247_I	257_F	0.836	0.83
133_Q	140_S	0.836	0.83
114_K	117_R	0.836	0.83
252_K	257_F	0.834	0.83
225_T	278_A	0.832	0.83
87_N	101_D	0.832	0.83
164_E	179_R	0.827	0.82
106_H	110_F	0.823	0.82
62_K	269_H	0.821	0.82
118_S	123_K	0.818	0.82
248_N	251_V	0.813	0.81
146_M	163_Y	0.809	0.81
253_D	257_F	0.807	0.81
10_S	13_K	0.806	0.81
206_V	253_D	0.801	0.80
111_Q	156_M	0.800	0.80
12_I	275_F	0.795	0.80
173_K	212_G	0.782	0.79
32_D	42_S	0.780	0.79
16_I	41_L	0.776	0.78
77_Q	258_T	0.775	0.78
118_S	151_D	0.775	0.78
197_N	214_Y	0.769	0.78
177_E	219_G	0.769	0.78
248_N	252_K	0.769	0.78
57_I	194_F	0.768	0.77
67_T	70_K	0.768	0.77
52_N	200_Q	0.768	0.77
119_L	151_D	0.762	0.77
163_Y	179_R	0.757	0.76
139_S	172_G	0.757	0.76
150_P	156_M	0.754	0.76
136_N	143_H	0.752	0.76
116_N	123_K	0.743	0.75
75_I	195_Q	0.740	0.75
208_G	250_E	0.740	0.75
178_V	216_F	0.738	0.75
10_S	14_D	0.737	0.74
166_Q	219_G	0.735	0.74
34_D	225_T	0.733	0.74
64_A	92_H	0.733	0.74
116_N	120_N	0.732	0.74
156_M	160_P	0.732	0.74
69_I	259_I	0.730	0.74
116_N	119_L	0.727	0.73
58_L	269_H	0.723	0.73
238_E	241_E	0.721	0.73
159_T	163_Y	0.719	0.73
202_M	257_F	0.719	0.73
251_V	258_T	0.719	0.73
203_I	207_T	0.712	0.72
74_W	86_L	0.711	0.72
6_K	13_K	0.708	0.71
72_L	195_Q	0.700	0.71
152_E	156_M	0.699	0.71
248_N	257_F	0.698	0.70
104_I	107_A	0.696	0.70
32_D	168_Y	0.695	0.70
83_V	89_M	0.689	0.69
163_Y	178_V	0.684	0.69
179_R	217_N	0.677	0.68
151_D	154_D	0.676	0.68
240_F	271_D	0.671	0.67
11_I	48_M	0.670	0.67
202_M	205_Q	0.669	0.67
64_A	90_G	0.669	0.67
7_Q	10_S	0.668	0.67
143_H	207_T	0.666	0.67
189_N	216_F	0.666	0.67
144_I	148_W	0.664	0.67
70_K	77_Q	0.663	0.66
69_I	245_L	0.663	0.66
211_L	245_L	0.662	0.66
73_L	262_F	0.662	0.66
79_K	82_D	0.662	0.66
202_M	251_V	0.661	0.66
205_Q	257_F	0.659	0.66
150_P	153_L	0.658	0.66
189_N	214_Y	0.657	0.66
249_P	257_F	0.656	0.66
20_I	32_D	0.656	0.66
165_T	196_Y	0.653	0.65
208_G	252_K	0.653	0.65
117_R	152_E	0.653	0.65
111_Q	152_E	0.651	0.65
99_Q	103_T	0.651	0.65
7_Q	242_A	0.649	0.65
127_V	145_T	0.647	0.65
210_E	213_E	0.647	0.65
153_L	156_M	0.644	0.64
180_A	189_N	0.643	0.64
46_K	221_C	0.642	0.64
51_D	213_E	0.639	0.64
223_V	228_I	0.635	0.63
41_L	232_K	0.635	0.63
250_E	257_F	0.634	0.63
135_K	207_T	0.632	0.63
91_V	259_I	0.632	0.63
53_S	211_L	0.631	0.63
89_M	259_I	0.631	0.63
92_H	276_E	0.630	0.63
9_N	235_M	0.629	0.62
112_L	147_L	0.625	0.62
40_T	141_R	0.625	0.62
33_S	41_L	0.624	0.62
66_K	70_K	0.622	0.62
180_A	216_F	0.622	0.62
13_K	236_E	0.621	0.61
198_V	245_L	0.618	0.61
196_Y	214_Y	0.616	0.61
9_N	242_A	0.615	0.61
183_N	221_C	0.613	0.60
83_V	97_W	0.610	0.60
200_Q	203_I	0.610	0.60
82_D	85_D	0.609	0.60
205_Q	251_V	0.609	0.60
67_T	91_V	0.607	0.60
129_Y	153_L	0.606	0.60
63_V	269_H	0.606	0.60
77_Q	85_D	0.605	0.59
246_W	249_P	0.604	0.59
178_V	183_N	0.603	0.59
124_V	151_D	0.598	0.59
38_A	226_R	0.598	0.59
42_S	220_D	0.596	0.58
110_F	119_L	0.595	0.58
118_S	121_G	0.593	0.58
9_N	58_L	0.593	0.58
149_N	156_M	0.593	0.58
11_I	50_F	0.592	0.58
83_V	107_A	0.591	0.58
17_N	232_K	0.591	0.58
47_Q	177_E	0.590	0.58
64_A	259_I	0.590	0.58
58_L	63_V	0.590	0.58
48_M	218_I	0.588	0.57
47_Q	215_I	0.582	0.57
127_V	254_F	0.582	0.57
248_N	260_D	0.578	0.56
232_K	236_E	0.577	0.56
106_H	111_Q	0.575	0.56
172_G	212_G	0.573	0.55
46_K	50_F	0.572	0.55
170_K	173_K	0.571	0.55
206_V	249_P	0.570	0.55
17_N	20_I	0.569	0.55
142_R	158_L	0.563	0.54
89_M	258_T	0.563	0.54
226_R	276_E	0.561	0.54
65_W	201_R	0.561	0.54
175_H	215_I	0.559	0.54
67_T	87_N	0.557	0.53
9_N	13_K	0.556	0.53
127_V	203_I	0.555	0.53
186_A	227_H	0.554	0.53
117_R	121_G	0.554	0.53
69_I	73_L	0.551	0.52
92_H	278_A	0.550	0.52
83_V	95_D	0.549	0.52
193_V	196_Y	0.549	0.52
269_H	272_K	0.547	0.52
13_K	16_I	0.543	0.51
137_N	159_T	0.543	0.51
41_L	223_V	0.538	0.51
87_N	100_E	0.538	0.51
105_G	111_Q	0.538	0.51
252_K	256_D	0.538	0.51
96_Q	277_V	0.537	0.51
134_L	169_V	0.536	0.51
87_N	107_A	0.535	0.50
98_K	101_D	0.535	0.50
205_Q	250_E	0.534	0.50
200_Q	207_T	0.534	0.50
79_K	103_T	0.534	0.50
6_K	9_N	0.534	0.50
64_A	89_M	0.531	0.50
249_P	263_K	0.531	0.50
137_N	140_S	0.531	0.50
85_D	96_Q	0.527	0.49
55_V	194_F	0.526	0.49
147_L	156_M	0.524	0.49
50_F	216_F	0.523	0.49
50_F	193_V	0.521	0.49
34_D	40_T	0.519	0.48
175_H	212_G	0.519	0.48
249_P	261_D	0.519	0.48
35_G	158_L	0.519	0.48
266_N	269_H	0.518	0.48
123_K	151_D	0.518	0.48
38_A	225_T	0.518	0.48
249_P	262_F	0.517	0.48
106_H	156_M	0.517	0.48
32_D	175_H	0.514	0.48
67_T	90_G	0.514	0.48
173_K	213_E	0.513	0.48
130_L	165_T	0.512	0.47
202_M	247_I	0.511	0.47
97_W	102_G	0.510	0.47
9_N	16_I	0.510	0.47
93_I	191_F	0.509	0.47
58_L	159_T	0.507	0.47
111_Q	126_Q	0.507	0.47
117_R	120_N	0.506	0.47
110_F	153_L	0.505	0.47
173_K	211_L	0.505	0.47
52_N	197_N	0.505	0.47
38_A	276_E	0.504	0.46
131_L	134_L	0.504	0.46
108_Y	184_D	0.503	0.46
64_A	70_K	0.503	0.46
15_I	43_V	0.502	0.46
187_L	234_Q	0.501	0.46
58_L	242_A	0.500	0.46
143_H	153_L	0.500	0.46

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
1bkpA	2	0.9964	100	0.021	Contact Map
4iqbA	2	0.9462	100	0.024	Contact Map
3v8hA	2	0.914	100	0.025	Contact Map
3nrrA	2	0.9606	100	0.026	Contact Map
4g9uA	2	0.9498	100	0.028	Contact Map
1hw4A	2	0.914	100	0.028	Contact Map
3uwlA	2	0.9462	100	0.029	Contact Map
3qg2A	2	0.9606	100	0.029	Contact Map
1j3kC	2	0.9606	100	0.029	Contact Map
3irmA	4	0.9606	100	0.029	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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