THYX - SULSO - GREMLIN Contacts

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THYX - Thymidylate synthase ThyX

UniProt:	Q980H6	Sequences: MISVKLVSYTNDGEKVIAIAAKMSRSRKGWDYHEKDMTDDEIETWIRDAILHGYWSVLEHSVYTFSIEEISRVASHQLVRHRIASYTQMSHRFAKPIDEYYKPIIPPSAKKRSKELVEKAYKEAYDNYYTLLESGVPEEDARYVLPNGVNTNIVVTMNARELYNFFSLRLCSRAQWEIRAIAWKMLEEVKKVHPRLFKYTGPNCIIHENFIRNENESITLEDIFKDYKLEFISQRCIEGVLRDGIKKCIINSRSVLDNIK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	260 (206)
Sequences:	1015 (587)
Seq/√Len:	40.9

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
188_E	191_K	4.132	1.00
184_K	187_E	3.776	1.00
70_I	74_A	3.382	1.00
184_K	188_E	3.143	1.00
70_I	75_S	2.990	1.00
76_H	79_V	2.977	1.00
75_S	88_Q	2.960	1.00
49_A	57_V	2.865	1.00
76_H	88_Q	2.861	1.00
67_I	155_V	2.760	1.00
114_K	118_E	2.679	1.00
75_S	79_V	2.506	1.00
79_V	88_Q	2.397	1.00
115_E	119_K	2.343	1.00
75_S	153_I	2.312	1.00
116_L	130_T	2.310	1.00
43_E	198_K	2.291	1.00
119_K	123_E	2.138	0.99
59_E	160_R	2.111	0.99
165_F	182_A	2.010	0.99
120_A	124_A	1.995	0.99
85_S	158_N	1.903	0.99
62_V	156_T	1.887	0.98
6_L	63_Y	1.879	0.98
9_Y	192_V	1.878	0.98
77_Q	175_Q	1.845	0.98
47_R	198_K	1.819	0.98
161_E	164_N	1.810	0.98
60_H	156_T	1.772	0.98
64_T	156_T	1.690	0.97
174_A	178_I	1.657	0.96
75_S	151_T	1.656	0.96
49_A	58_L	1.653	0.96
120_A	127_N	1.645	0.96
125_Y	129_Y	1.623	0.96
74_A	181_I	1.623	0.96
116_L	127_N	1.615	0.96
14_E	195_R	1.609	0.96
122_K	126_D	1.604	0.96
24_S	87_T	1.588	0.96
103_P	121_Y	1.567	0.95
105_I	118_E	1.561	0.95
22_K	45_W	1.554	0.95
78_L	153_I	1.554	0.95
59_E	82_R	1.554	0.95
111_K	114_K	1.540	0.95
123_E	127_N	1.493	0.94
83_I	164_N	1.486	0.94
123_E	126_D	1.481	0.93
135_G	138_E	1.461	0.93
71_S	177_E	1.455	0.93
118_E	122_K	1.432	0.92
6_L	192_V	1.420	0.92
116_L	119_K	1.405	0.92
59_E	158_N	1.399	0.91
127_N	131_L	1.393	0.91
53_G	167_S	1.364	0.90
80_R	169_R	1.339	0.89
81_H	169_R	1.338	0.89
116_L	120_A	1.338	0.89
90_S	142_R	1.336	0.89
164_N	168_L	1.322	0.89
171_C	204_C	1.304	0.88
124_A	146_P	1.297	0.88
163_Y	196_L	1.295	0.88
108_S	137_P	1.274	0.87
92_R	142_R	1.271	0.87
20_A	60_H	1.258	0.86
90_S	93_F	1.257	0.86
126_D	130_T	1.253	0.86
167_S	206_I	1.252	0.86
65_F	185_M	1.236	0.85
115_E	126_D	1.232	0.85
126_D	129_Y	1.220	0.84
73_V	147_N	1.220	0.84
176_W	180_A	1.209	0.84
117_V	148_G	1.204	0.84
121_Y	148_G	1.182	0.83
204_C	210_F	1.175	0.82
79_V	86_Y	1.172	0.82
6_L	65_F	1.160	0.81
12_D	15_K	1.158	0.81
209_N	213_N	1.137	0.80
24_S	88_Q	1.133	0.80
63_Y	193_H	1.128	0.79
63_Y	189_V	1.120	0.79
19_I	34_E	1.116	0.79
128_Y	142_R	1.114	0.79
188_E	192_V	1.098	0.78
162_L	189_V	1.095	0.77
62_V	157_M	1.095	0.77
209_N	212_R	1.061	0.75
60_H	64_T	1.055	0.75
114_K	123_E	1.050	0.74
30_W	66_S	1.050	0.74
96_P	145_L	1.042	0.74
190_K	201_G	1.037	0.73
75_S	78_L	1.031	0.73
165_F	178_I	1.030	0.73
17_I	57_V	1.008	0.71
126_D	180_A	1.006	0.71
69_E	150_N	0.996	0.70
110_K	114_K	0.993	0.70
86_Y	155_V	0.993	0.70
186_L	197_F	0.989	0.70
186_L	190_K	0.983	0.69
113_S	131_L	0.982	0.69
14_E	193_H	0.974	0.69
46_I	161_E	0.966	0.68
202_P	213_N	0.966	0.68
113_S	144_V	0.955	0.67
72_R	91_H	0.936	0.65
60_H	85_S	0.933	0.65
45_W	57_V	0.933	0.65
78_L	88_Q	0.932	0.65
77_Q	169_R	0.930	0.65
180_A	184_K	0.926	0.65
119_K	122_K	0.925	0.65
104_I	150_N	0.907	0.63
5_K	9_Y	0.904	0.63
107_P	176_W	0.898	0.62
8_S	16_V	0.895	0.62
17_I	196_L	0.892	0.62
86_Y	153_I	0.891	0.62
96_P	125_Y	0.879	0.61
78_L	161_E	0.879	0.61
112_R	130_T	0.878	0.60
90_S	177_E	0.861	0.59
47_R	195_R	0.859	0.59
43_E	195_R	0.849	0.58
45_W	48_D	0.847	0.58
116_L	131_L	0.835	0.57
204_C	212_R	0.827	0.56
134_S	138_E	0.827	0.56
166_F	182_A	0.826	0.56
54_Y	90_S	0.824	0.56
62_V	85_S	0.824	0.56
79_V	153_I	0.823	0.55
171_C	201_G	0.822	0.55
72_R	76_H	0.821	0.55
84_A	162_L	0.820	0.55
92_R	146_P	0.819	0.55
37_M	42_I	0.817	0.55
98_D	125_Y	0.815	0.55
88_Q	153_I	0.812	0.54
54_Y	93_F	0.808	0.54
121_Y	144_V	0.807	0.54
90_S	146_P	0.802	0.54
212_R	216_E	0.800	0.53
3_S	36_D	0.800	0.53
208_E	212_R	0.796	0.53
98_D	124_A	0.792	0.53
7_V	154_V	0.790	0.52
157_M	162_L	0.790	0.52
50_I	58_L	0.782	0.52
92_R	151_T	0.778	0.51
77_Q	174_A	0.774	0.51
3_S	31_D	0.769	0.50
112_R	119_K	0.768	0.50
124_A	127_N	0.759	0.50
119_K	130_T	0.757	0.49
56_S	86_Y	0.753	0.49
110_K	180_A	0.747	0.48
81_H	174_A	0.742	0.48
66_S	152_N	0.742	0.48
207_H	211_I	0.741	0.48
169_R	174_A	0.741	0.48
113_S	127_N	0.740	0.48
43_E	196_L	0.739	0.48
58_L	163_Y	0.735	0.47
130_T	133_E	0.734	0.47
132_L	138_E	0.733	0.47
105_I	114_K	0.732	0.47
116_L	123_E	0.729	0.47
142_R	177_E	0.728	0.47
171_C	210_F	0.724	0.46
205_I	209_N	0.724	0.46
123_E	133_E	0.722	0.46
22_K	198_K	0.720	0.46
63_Y	192_V	0.719	0.46
13_G	21_A	0.716	0.46
130_T	134_S	0.709	0.45
54_Y	177_E	0.704	0.44
12_D	123_E	0.700	0.44
111_K	119_K	0.700	0.44
59_E	85_S	0.699	0.44
169_R	179_R	0.696	0.44
169_R	178_I	0.693	0.43
68_E	152_N	0.691	0.43
76_H	147_N	0.688	0.43
170_L	186_L	0.687	0.43
159_A	189_V	0.685	0.43
48_D	52_H	0.682	0.42
70_I	73_V	0.681	0.42
82_R	169_R	0.680	0.42
103_P	106_P	0.676	0.42
13_G	193_H	0.675	0.42
61_S	196_L	0.673	0.42
171_C	202_P	0.672	0.42
5_K	34_E	0.671	0.41
82_R	85_S	0.670	0.41
56_S	151_T	0.666	0.41
131_L	134_S	0.662	0.41
44_T	123_E	0.657	0.40
67_I	168_L	0.655	0.40
17_I	157_M	0.655	0.40
113_S	116_L	0.652	0.40
131_L	144_V	0.651	0.40
175_Q	178_I	0.649	0.40
89_M	152_N	0.649	0.40
70_I	79_V	0.649	0.40
166_F	189_V	0.648	0.39
161_E	168_L	0.644	0.39
41_E	44_T	0.643	0.39
76_H	153_I	0.643	0.39
54_Y	57_V	0.642	0.39
72_R	92_R	0.641	0.39
76_H	86_Y	0.636	0.38
20_A	64_T	0.633	0.38
41_E	205_I	0.632	0.38
85_S	160_R	0.632	0.38
51_L	58_L	0.632	0.38
25_R	128_Y	0.630	0.38
132_L	191_K	0.628	0.38
90_S	151_T	0.628	0.38
213_N	216_E	0.627	0.38
72_R	140_D	0.625	0.37
5_K	41_E	0.625	0.37
115_E	123_E	0.625	0.37
124_A	133_E	0.622	0.37
101_Y	121_Y	0.619	0.37
203_N	211_I	0.617	0.37
60_H	87_T	0.611	0.36
83_I	86_Y	0.610	0.36
56_S	75_S	0.607	0.36
56_S	85_S	0.604	0.36
40_D	44_T	0.603	0.36
127_N	130_T	0.601	0.35
15_K	34_E	0.601	0.35
18_A	21_A	0.600	0.35
84_A	165_F	0.598	0.35
157_M	165_F	0.595	0.35
197_F	200_T	0.592	0.35
92_R	177_E	0.592	0.35
77_Q	178_I	0.590	0.34
113_S	130_T	0.588	0.34
56_S	142_R	0.588	0.34
107_P	110_K	0.587	0.34
190_K	197_F	0.587	0.34
142_R	151_T	0.579	0.34
93_F	142_R	0.579	0.34
180_A	187_E	0.576	0.33
118_E	133_E	0.575	0.33
22_K	49_A	0.573	0.33
46_I	61_S	0.572	0.33
43_E	47_R	0.571	0.33
143_Y	176_W	0.570	0.33
105_I	110_K	0.568	0.33
116_L	180_A	0.568	0.33
151_T	173_R	0.567	0.33
201_G	204_C	0.567	0.33
23_M	30_W	0.565	0.32
128_Y	194_P	0.565	0.32
117_V	121_Y	0.561	0.32
77_Q	80_R	0.561	0.32
24_S	56_S	0.560	0.32
78_L	155_V	0.558	0.32
187_E	191_K	0.556	0.32
9_Y	191_K	0.555	0.32
189_V	192_V	0.555	0.32
138_E	143_Y	0.554	0.31
112_R	133_E	0.551	0.31
43_E	95_K	0.550	0.31
9_Y	13_G	0.547	0.31
39_D	42_I	0.542	0.31
83_I	161_E	0.541	0.30
24_S	147_N	0.538	0.30
20_A	46_I	0.538	0.30
105_I	133_E	0.536	0.30
105_I	109_A	0.532	0.30
111_K	187_E	0.530	0.30
82_R	175_Q	0.528	0.29
104_I	109_A	0.526	0.29
180_A	198_K	0.525	0.29
84_A	157_M	0.525	0.29
124_A	145_L	0.524	0.29
155_V	164_N	0.523	0.29
59_E	81_H	0.523	0.29
90_S	128_Y	0.522	0.29
129_Y	133_E	0.521	0.29
20_A	73_V	0.520	0.29
210_F	216_E	0.520	0.29
119_K	133_E	0.519	0.29
111_K	134_S	0.519	0.29
84_A	161_E	0.516	0.29
115_E	191_K	0.516	0.29
163_Y	189_V	0.515	0.28
54_Y	139_E	0.515	0.28
46_I	134_S	0.514	0.28
54_Y	72_R	0.511	0.28
142_R	194_P	0.511	0.28
78_L	86_Y	0.510	0.28
3_S	47_R	0.510	0.28
116_L	133_E	0.505	0.28
14_E	21_A	0.504	0.28
38_T	118_E	0.504	0.28
113_S	176_W	0.502	0.27
18_A	23_M	0.501	0.27
80_R	175_Q	0.500	0.27

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	0.7962	100	0.279	Contact Map
3fnnA	3	0.7769	100	0.292	Contact Map
4gt9A	3	0.7538	100	0.297	Contact Map
2cfaA	3	0.6654	100	0.301	Contact Map
3n3yA	4	0.7577	100	0.302	Contact Map
1q1hA	1	0.3192	17.3	0.96	Contact Map
2zxiA	2	0.8077	12.4	0.962	Contact Map
3cp8A	2	0.85	9.6	0.964	Contact Map
3dwlD	1	0.3346	7.8	0.966	Contact Map
3j21a	1	0.3154	7.3	0.966	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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