THYX - HALSA - GREMLIN Contacts

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THYX - Thymidylate synthase ThyX

UniProt:	Q9HQ52	Sequences: MRVRLLEATENPEELICQSARNDYMSDWVGDTPLDTAMASVDGDTTDEKLSNLIAQLLTRGHYGPFEHPSATFAIEGVSRSCMAQLTRHRHASFDVQSMRYVAFDDVDPAAVAEGELVVTPPSATDPDWVGRNQDAGDIDEETMAEREAVFQASVRRAVEDYQELLGLGMPPEDARFVLPIGTEVNVVITLNPRSLMHVADMRAAADAQWEIRELTEQLLDAAAQWCPHTFEYYDAEMKHRKNRLAP	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	247 (192)
Sequences:	1412 (879)
Seq/√Len:	63.4

HALSA - THYX
SULSO - THYX

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
222_A	225_Q	3.939	1.00
218_Q	221_D	3.501	1.00
70_S	190_T	3.358	1.00
78_V	82_C	3.100	1.00
84_A	96_V	2.774	1.00
57_L	65_P	2.767	1.00
68_H	190_T	2.748	1.00
83_M	96_V	2.734	1.00
67_E	194_R	2.543	1.00
84_A	87_T	2.507	1.00
218_Q	222_A	2.450	1.00
87_T	96_V	2.344	1.00
85_Q	209_Q	2.341	1.00
149_A	153_A	2.292	1.00
153_A	157_R	2.244	1.00
83_M	187_V	2.225	1.00
67_E	192_N	2.179	1.00
210_W	214_E	2.076	1.00
157_R	160_E	2.042	1.00
8_A	226_W	2.032	1.00
83_M	87_T	2.020	1.00
150_V	164_E	1.999	1.00
23_D	95_D	1.980	1.00
83_M	185_V	1.959	1.00
78_V	83_M	1.953	1.00
148_E	152_Q	1.943	1.00
67_E	90_R	1.926	1.00
86_L	187_V	1.925	1.00
75_I	189_I	1.855	1.00
199_V	216_T	1.853	1.00
55_A	232_E	1.848	1.00
154_S	158_A	1.799	1.00
92_A	191_L	1.790	1.00
72_T	190_T	1.758	1.00
159_V	163_Q	1.758	1.00
195_S	198_H	1.713	0.99
93_S	192_N	1.711	0.99
51_S	232_E	1.701	0.99
82_C	215_L	1.688	0.99
91_H	198_H	1.683	0.99
98_S	101_Y	1.624	0.99
157_R	161_D	1.576	0.99
165_L	178_V	1.563	0.99
224_A	235_D	1.555	0.99
94_F	189_I	1.554	0.99
13_E	229_H	1.530	0.99
208_A	212_I	1.524	0.99
73_F	219_L	1.464	0.98
150_V	161_D	1.460	0.98
154_S	161_D	1.454	0.98
19_S	68_H	1.444	0.98
146_E	164_E	1.440	0.98
156_R	160_E	1.440	0.98
191_L	196_L	1.367	0.97
147_R	165_L	1.354	0.97
98_S	176_R	1.320	0.96
81_S	181_I	1.308	0.96
198_H	202_M	1.301	0.96
164_E	168_L	1.284	0.96
56_Q	60_R	1.281	0.96
79_S	211_E	1.276	0.96
100_R	176_R	1.266	0.95
199_V	212_I	1.255	0.95
145_A	149_A	1.249	0.95
16_I	230_T	1.244	0.95
88_R	203_R	1.234	0.95
196_L	223_A	1.215	0.94
21_R	53_L	1.212	0.94
68_H	72_T	1.211	0.94
152_Q	156_R	1.210	0.94
150_V	165_L	1.197	0.94
11_N	14_E	1.186	0.94
151_F	155_V	1.162	0.93
87_T	94_F	1.157	0.93
197_M	230_T	1.148	0.92
61_G	201_D	1.148	0.92
74_A	186_N	1.142	0.92
87_T	187_V	1.106	0.91
7_E	15_L	1.094	0.91
80_R	99_M	1.082	0.90
91_H	195_S	1.076	0.90
158_A	161_D	1.075	0.90
57_L	66_F	1.071	0.90
158_A	180_P	1.070	0.90
85_Q	208_A	1.063	0.89
5_L	71_A	1.062	0.89
16_I	65_P	1.061	0.89
146_E	149_A	1.051	0.89
147_R	161_D	1.050	0.89
220_L	224_A	1.047	0.89
4_R	74_A	1.040	0.88
220_L	231_F	1.035	0.88
53_L	56_Q	1.013	0.87
5_L	226_W	1.008	0.87
162_Y	176_R	1.004	0.86
90_R	192_N	0.991	0.86
144_M	148_E	0.990	0.86
153_A	156_R	0.985	0.85
92_A	195_S	0.964	0.84
80_R	84_A	0.957	0.84
222_A	226_W	0.956	0.83
120_T	152_Q	0.953	0.83
200_A	223_A	0.942	0.83
62_H	101_Y	0.942	0.83
144_M	147_R	0.938	0.82
104_F	179_L	0.918	0.81
169_G	172_P	0.909	0.80
51_S	229_H	0.907	0.80
71_A	226_W	0.905	0.80
89_H	203_R	0.903	0.80
86_L	189_I	0.902	0.80
23_D	80_R	0.897	0.79
92_A	199_V	0.895	0.79
85_Q	203_R	0.881	0.78
68_H	95_D	0.877	0.78
55_A	229_H	0.874	0.78
23_D	96_V	0.870	0.77
20_A	53_L	0.869	0.77
45_T	50_L	0.867	0.77
5_L	73_F	0.865	0.77
161_D	165_L	0.860	0.76
90_R	94_F	0.856	0.76
67_E	88_R	0.855	0.76
13_E	230_T	0.848	0.75
86_L	215_L	0.847	0.75
86_L	195_S	0.845	0.75
4_R	8_A	0.845	0.75
150_V	153_A	0.843	0.75
147_R	168_L	0.840	0.75
84_A	187_V	0.833	0.74
13_E	20_A	0.832	0.74
22_N	188_V	0.826	0.73
123_S	171_P	0.820	0.73
221_D	224_A	0.815	0.72
88_R	94_F	0.809	0.72
84_A	181_I	0.807	0.72
155_V	182_G	0.805	0.72
71_A	227_C	0.802	0.71
150_V	168_L	0.800	0.71
160_E	214_E	0.794	0.71
221_D	225_Q	0.792	0.70
122_P	125_T	0.780	0.69
154_S	165_L	0.779	0.69
146_E	156_R	0.774	0.69
145_A	148_E	0.770	0.68
48_E	51_S	0.760	0.67
176_R	211_E	0.756	0.67
123_S	210_W	0.749	0.66
146_E	168_L	0.738	0.65
14_E	50_L	0.735	0.65
13_E	227_C	0.734	0.64
70_S	191_L	0.731	0.64
67_E	94_F	0.730	0.64
75_I	202_M	0.725	0.63
165_L	168_L	0.723	0.63
76_E	186_N	0.713	0.62
104_F	159_V	0.712	0.62
176_R	180_P	0.709	0.62
151_F	165_L	0.708	0.62
64_G	87_T	0.708	0.62
90_R	194_R	0.707	0.62
48_E	52_N	0.703	0.61
71_A	223_A	0.701	0.61
64_G	95_D	0.701	0.61
106_D	159_V	0.699	0.61
155_V	178_V	0.697	0.60
92_A	198_H	0.695	0.60
150_V	157_R	0.694	0.60
53_L	65_P	0.694	0.60
89_H	202_M	0.693	0.60
200_A	204_A	0.691	0.60
99_M	173_E	0.690	0.60
73_F	196_L	0.686	0.59
123_S	170_M	0.684	0.59
19_S	72_T	0.682	0.59
160_E	163_Q	0.682	0.59
24_Y	95_D	0.681	0.59
204_A	220_L	0.681	0.59
197_M	223_A	0.673	0.58
62_H	98_S	0.670	0.57
177_F	182_G	0.668	0.57
97_Q	104_F	0.667	0.57
167_G	225_Q	0.664	0.57
161_D	164_E	0.664	0.57
51_S	230_T	0.662	0.57
6_L	188_V	0.659	0.56
197_M	233_Y	0.650	0.55
191_L	199_V	0.647	0.55
17_C	50_L	0.646	0.55
91_H	199_V	0.644	0.54
64_G	194_R	0.644	0.54
51_S	55_A	0.642	0.54
176_R	185_V	0.642	0.54
17_C	20_A	0.640	0.54
78_V	187_V	0.638	0.54
200_A	219_L	0.636	0.54
75_I	120_T	0.633	0.53
63_Y	194_R	0.633	0.53
82_C	212_I	0.631	0.53
99_M	104_F	0.631	0.53
68_H	192_N	0.625	0.52
203_R	209_Q	0.623	0.52
157_R	167_G	0.622	0.52
8_A	225_Q	0.622	0.52
121_P	125_T	0.621	0.52
58_L	66_F	0.620	0.52
203_R	208_A	0.620	0.52
93_S	194_R	0.619	0.52
101_Y	176_R	0.619	0.52
179_L	183_T	0.617	0.51
68_H	93_S	0.617	0.51
196_L	219_L	0.617	0.51
149_A	157_R	0.617	0.51
168_L	171_P	0.613	0.51
126_D	148_E	0.612	0.51
160_E	164_E	0.611	0.51
105_D	108_D	0.602	0.50
89_H	208_A	0.600	0.49
5_L	8_A	0.599	0.49
70_S	93_S	0.595	0.49
46_T	229_H	0.593	0.49
197_M	201_D	0.592	0.48
200_A	216_T	0.591	0.48
100_R	180_P	0.590	0.48
72_T	188_V	0.588	0.48
180_P	211_E	0.586	0.48
79_S	84_A	0.583	0.47
214_E	217_E	0.583	0.47
64_G	211_E	0.580	0.47
144_M	165_L	0.579	0.47
144_M	150_V	0.577	0.47
120_T	148_E	0.577	0.47
149_A	160_E	0.576	0.47
191_L	219_L	0.574	0.46
197_M	234_Y	0.572	0.46
154_S	157_R	0.572	0.46
120_T	125_T	0.569	0.46
163_Q	167_G	0.569	0.46
191_L	195_S	0.567	0.46
146_E	152_Q	0.567	0.46
76_E	107_V	0.566	0.45
9_T	15_L	0.564	0.45
21_R	232_E	0.564	0.45
214_E	218_Q	0.562	0.45
193_P	230_T	0.561	0.45
28_W	232_E	0.560	0.45
174_D	186_N	0.560	0.45
97_Q	186_N	0.559	0.45
205_A	235_D	0.557	0.44
209_Q	212_I	0.556	0.44
23_D	64_G	0.555	0.44
4_R	157_R	0.553	0.44
16_I	54_I	0.552	0.44
148_E	151_F	0.551	0.44
147_R	150_V	0.542	0.43
195_S	202_M	0.540	0.43
96_V	187_V	0.538	0.42
214_E	232_E	0.538	0.42
20_A	65_P	0.537	0.42
52_N	55_A	0.537	0.42
98_S	185_V	0.535	0.42
150_V	158_A	0.534	0.42
144_M	151_F	0.533	0.42
83_M	86_L	0.532	0.42
164_E	221_D	0.531	0.42
19_S	73_F	0.530	0.41
53_L	66_F	0.530	0.41
55_A	236_A	0.529	0.41
85_Q	212_I	0.526	0.41
145_A	221_D	0.525	0.41
164_E	167_G	0.525	0.41
17_C	193_P	0.524	0.41
173_E	209_Q	0.524	0.41
65_P	69_P	0.521	0.40
162_Y	179_L	0.520	0.40
124_A	151_F	0.519	0.40
83_M	95_D	0.516	0.40
148_E	160_E	0.516	0.40
104_F	183_T	0.513	0.40
205_A	236_A	0.511	0.39
147_R	178_V	0.511	0.39
106_D	226_W	0.509	0.39
81_S	84_A	0.509	0.39
5_L	9_T	0.509	0.39
75_I	219_L	0.505	0.39
11_N	46_T	0.504	0.39
62_H	68_H	0.501	0.38
64_G	176_R	0.500	0.38

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
3gwcA	3	0.8421	100	0.195	Contact Map
2cfaA	3	0.7126	100	0.203	Contact Map
3fnnA	3	0.8138	100	0.211	Contact Map
4gt9A	3	0.83	100	0.22	Contact Map
3n3yA	4	0.8259	100	0.237	Contact Map
4n78F	1	0.4777	7.9	0.961	Contact Map
1oaoA	2	0.2551	6.1	0.963	Contact Map
3pf6A	2	0.2429	5.3	0.964	Contact Map
1vq8X	1	0.251	3.8	0.966	Contact Map
1j27A	2	0.2308	2.7	0.969	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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