TRXB - BACSU - GREMLIN Contacts

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TRXB - Thioredoxin reductase

UniProt:	P80880	Sequences: MSEEKIYDVIIIGAGPAGMTAAVYTSRANLSTLMIERGIPGGQMANTEDVENYPGFESILGPELSNKMFEHAKKFGAEYAYGDIKEVIDGKEYKVVKAGSKEYKARAVIIAAGAEYKKIGVPGEKELGGRGVSYCAVCDGAFFKGKELVVVGGGDSAVEEGVYLTRFASKVTIVHRRDKLRAQSILQARAFDNEKVDFLWNKTVKEIHEENGKVGNVTLVDTVTGEESEFKTDGVFIYIGMLPLSKPFENLGITNEEGYIETNDRMETKVEGIFAAGDIREKSLRQIVTATGDGSIAAQSVQHYVEELQETLKTLK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	316 (284)
Sequences:	61224 (43842)
Seq/√Len:	2601.6

ECOLI - AHPF STHA TRXB DLDH RCLA GSHR HCAD DHNA NORW PRET GLTD YGFT NIRB AEGA FADH YGFK
BACSU - TRXB DHNA FENR1 DLDH1 DLDH2 DLDH3 FENR2 YPDA YJLD YUMB YUTJ CZCO GLTB NASB NASD
HALSA - P82854 DLDH Q9HP48 Q9HSN0 Q9HR27 O54535
SULSO - Q97W27 Q97V69 Q97VD9 Q97XZ3 Q97WE3 Q97YT2 FENR Q97WG1 Q97Z19 Q97Z14 Q97Y24 Q97VJ3 Q97VQ4 Q980U1 Q97UV0 Q97U72 Q97ZB4 Q97UP4

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
149_V	232_T	4.008	1.00
37_R	83_D	3.718	1.00
147_E	170_K	3.431	1.00
206_E	218_T	3.199	1.00
208_H	218_T	3.059	1.00
172_T	199_L	3.038	1.00
170_K	197_D	2.825	1.00
8_D	106_R	2.704	1.00
218_T	229_E	2.573	1.00
33_L	80_A	2.486	1.00
263_N	267_E	2.453	1.00
8_D	31_S	2.386	1.00
205_K	220_V	2.348	1.00
199_L	228_S	2.344	1.00
94_K	102_E	2.309	1.00
147_E	233_D	2.271	1.00
221_D	228_S	2.255	1.00
117_K	242_L	2.254	1.00
9_V	25_T	2.250	1.00
203_T	220_V	2.229	1.00
122_P	206_E	2.222	1.00
21_A	109_I	2.203	1.00
149_V	174_V	2.180	1.00
188_A	192_D	2.179	1.00
149_V	217_V	2.168	1.00
10_I	35_I	2.146	1.00
6_I	104_K	2.122	1.00
35_I	103_Y	2.116	1.00
254_T	261_E	2.093	1.00
7_Y	33_L	2.051	1.00
147_E	172_T	2.044	1.00
109_I	301_V	1.995	1.00
205_K	218_T	1.976	1.00
10_I	103_Y	1.886	1.00
6_I	106_R	1.856	1.00
202_K	221_D	1.806	1.00
89_D	270_V	1.774	1.00
208_H	229_E	1.769	1.00
8_D	33_L	1.758	1.00
107_A	272_G	1.697	1.00
176_R	203_T	1.689	1.00
115_E	244_L	1.677	1.00
96_V	102_E	1.672	1.00
10_I	95_V	1.643	1.00
93_Y	272_G	1.633	1.00
172_T	197_D	1.633	1.00
147_E	231_K	1.630	1.00
115_E	242_L	1.611	1.00
126_E	209_E	1.602	1.00
31_S	78_E	1.597	1.00
146_K	233_D	1.592	1.00
255_N	259_Y	1.592	1.00
174_V	230_F	1.592	1.00
105_A	108_V	1.592	1.00
17_A	276_A	1.585	1.00
10_I	105_A	1.562	1.00
219_L	230_F	1.552	1.00
220_V	227_E	1.526	1.00
60_L	63_E	1.526	1.00
93_Y	97_K	1.498	1.00
134_Y	137_V	1.496	1.00
202_K	228_S	1.472	1.00
205_K	227_E	1.471	1.00
207_I	235_V	1.464	1.00
147_E	169_S	1.463	1.00
115_E	246_K	1.457	1.00
219_L	228_S	1.456	1.00
199_L	202_K	1.450	1.00
254_T	269_K	1.447	1.00
86_E	96_V	1.438	1.00
202_K	219_L	1.423	1.00
274_F	304_Y	1.411	1.00
69_F	73_K	1.408	1.00
112_A	279_I	1.390	1.00
218_T	227_E	1.389	1.00
298_A	302_Q	1.374	1.00
10_I	33_L	1.363	1.00
210_E	215_G	1.357	1.00
94_K	104_K	1.355	1.00
83_D	98_A	1.339	1.00
109_I	276_A	1.336	1.00
221_D	227_E	1.336	1.00
107_A	301_V	1.333	1.00
80_A	101_K	1.333	1.00
178_D	201_N	1.328	1.00
22_A	34_M	1.327	1.00
267_E	271_E	1.304	1.00
107_A	274_F	1.298	1.00
172_T	232_T	1.295	1.00
11_I	18_G	1.279	1.00
148_L	164_L	1.273	1.00
11_I	22_A	1.260	1.00
209_E	215_G	1.257	1.00
274_F	300_S	1.255	1.00
297_A	301_V	1.251	1.00
294_G	298_A	1.242	1.00
14_A	36_E	1.231	1.00
70_E	74_K	1.230	1.00
88_I	94_K	1.218	1.00
97_K	103_Y	1.206	1.00
24_Y	299_Q	1.188	1.00
9_V	109_I	1.174	1.00
120_G	124_E	1.157	1.00
9_V	30_L	1.156	1.00
24_Y	27_R	1.154	1.00
88_I	92_E	1.152	1.00
33_L	103_Y	1.148	1.00
190_A	193_N	1.146	1.00
70_E	73_K	1.140	1.00
89_D	273_I	1.136	1.00
262_T	280_R	1.124	1.00
66_N	70_E	1.117	1.00
133_S	137_V	1.116	1.00
71_H	75_F	1.116	1.00
219_L	227_E	1.115	1.00
270_V	273_I	1.100	1.00
97_K	100_S	1.099	1.00
174_V	219_L	1.097	1.00
210_E	213_K	1.096	1.00
12_I	84_I	1.082	1.00
26_S	77_A	1.081	1.00
38_G	82_G	1.081	1.00
296_I	300_S	1.079	1.00
85_K	98_A	1.078	1.00
153_G	175_H	1.077	1.00
165_T	196_V	1.077	1.00
175_H	200_W	1.073	1.00
148_L	234_G	1.070	1.00
260_I	275_A	1.069	1.00
144_K	169_S	1.065	1.00
107_A	304_Y	1.061	1.00
7_Y	10_I	1.058	1.00
158_V	173_I	1.057	1.00
17_A	290_A	1.054	1.00
7_Y	78_E	1.054	1.00
190_A	194_E	1.047	1.00
111_A	276_A	1.046	1.00
145_G	169_S	1.044	1.00
85_K	96_V	1.043	1.00
12_I	110_I	1.039	1.00
86_E	250_N	1.039	1.00
80_A	103_Y	1.039	1.00
28_A	302_Q	1.037	1.00
215_G	231_K	1.035	1.00
35_I	80_A	1.028	1.00
39_I	69_F	1.027	1.00
247_P	250_N	1.023	1.00
260_I	279_I	1.018	1.00
97_K	101_K	1.011	1.00
137_V	140_G	1.009	1.00
165_T	170_K	0.999	1.00
148_L	169_S	0.980	1.00
172_T	230_F	0.979	1.00
204_V	217_V	0.976	1.00
33_L	78_E	0.969	1.00
87_V	108_V	0.966	1.00
276_A	297_A	0.961	1.00
149_V	230_F	0.955	1.00
210_E	231_K	0.954	1.00
151_V	235_V	0.952	1.00
88_I	96_V	0.950	1.00
25_T	298_A	0.945	1.00
68_M	71_H	0.945	1.00
214_V	235_V	0.945	1.00
28_A	299_Q	0.944	1.00
24_Y	28_A	0.943	1.00
267_E	304_Y	0.940	1.00
7_Y	31_S	0.937	1.00
9_V	107_A	0.932	1.00
161_G	173_I	0.930	1.00
208_H	215_G	0.923	1.00
6_I	31_S	0.906	1.00
123_G	126_E	0.904	1.00
202_K	220_V	0.895	1.00
42_G	45_A	0.894	1.00
166_R	194_E	0.891	1.00
266_M	280_R	0.890	1.00
255_N	261_E	0.889	1.00
185_I	188_A	0.889	1.00
168_A	171_V	0.888	1.00
82_G	99_G	0.883	1.00
197_D	228_S	0.882	1.00
275_A	279_I	0.881	1.00
246_K	249_E	0.881	1.00
189_R	192_D	0.878	1.00
41_G	44_M	0.869	1.00
21_A	276_A	0.869	1.00
188_A	200_W	0.861	1.00
262_T	275_A	0.861	1.00
25_T	30_L	0.855	1.00
150_V	161_G	0.854	1.00
41_G	45_A	0.853	1.00
35_I	84_I	0.853	1.00
33_L	105_A	0.851	1.00
8_D	30_L	0.847	1.00
7_Y	107_A	0.845	1.00
86_E	89_D	0.843	1.00
21_A	294_G	0.841	1.00
290_A	294_G	0.833	1.00
23_V	27_R	0.830	1.00
51_E	55_G	0.830	1.00
12_I	112_A	0.830	1.00
266_M	297_A	0.828	1.00
59_I	63_E	0.828	1.00
266_M	296_I	0.826	1.00
8_D	104_K	0.823	1.00
215_G	229_E	0.822	1.00
21_A	297_A	0.817	1.00
274_F	301_V	0.816	1.00
24_Y	295_S	0.816	1.00
93_Y	98_A	0.813	1.00
11_I	21_A	0.807	1.00
123_G	206_E	0.805	1.00
149_V	235_V	0.802	1.00
280_R	293_D	0.801	1.00
265_R	300_S	0.800	1.00
209_E	213_K	0.796	1.00
207_I	217_V	0.793	1.00
25_T	301_V	0.793	1.00
63_E	66_N	0.793	1.00
267_E	272_G	0.792	1.00
9_V	301_V	0.788	1.00
189_R	193_N	0.787	1.00
98_A	101_K	0.785	1.00
84_I	95_V	0.784	1.00
208_H	211_N	0.779	1.00
188_A	198_F	0.779	1.00
72_A	75_F	0.778	1.00
256_E	261_E	0.776	1.00
30_L	302_Q	0.771	1.00
133_S	141_A	0.769	1.00
108_V	273_I	0.769	1.00
129_G	134_Y	0.768	1.00
157_A	175_H	0.767	1.00
130_R	133_S	0.767	1.00
199_L	230_F	0.764	1.00
109_I	297_A	0.763	1.00
255_N	281_E	0.760	1.00
22_A	77_A	0.757	1.00
110_I	279_I	0.753	1.00
180_L	200_W	0.752	1.00
62_P	66_N	0.749	1.00
26_S	32_T	0.748	1.00
14_A	34_M	0.748	1.00
151_V	239_I	0.746	1.00
289_T	293_D	0.743	1.00
262_T	266_M	0.742	1.00
82_G	98_A	0.741	1.00
151_V	237_I	0.740	1.00
138_C	141_A	0.738	1.00
135_C	138_C	0.738	1.00
136_A	139_D	0.736	1.00
278_D	290_A	0.733	1.00
18_G	111_A	0.732	1.00
68_M	72_A	0.732	1.00
174_V	202_K	0.730	1.00
153_G	180_L	0.730	1.00
211_N	229_E	0.722	1.00
232_T	235_V	0.719	1.00
272_G	304_Y	0.717	1.00
22_A	32_T	0.714	1.00
18_G	22_A	0.714	1.00
114_A	241_M	0.714	1.00
67_K	70_E	0.712	1.00
275_A	280_R	0.711	1.00
60_L	67_K	0.711	1.00
129_G	135_C	0.711	1.00
147_E	232_T	0.710	1.00
65_S	69_F	0.710	1.00
133_S	136_A	0.708	1.00
151_V	204_V	0.707	1.00
297_A	300_S	0.707	1.00
136_A	140_G	0.704	1.00
199_L	219_L	0.703	1.00
25_T	32_T	0.701	1.00
213_K	231_K	0.699	1.00
40_P	81_Y	0.696	1.00
124_E	237_I	0.694	1.00
165_T	194_E	0.692	1.00
135_C	139_D	0.685	1.00
261_E	269_K	0.682	1.00
130_R	134_Y	0.681	1.00
94_K	97_K	0.680	1.00
161_G	196_V	0.675	1.00
131_G	134_Y	0.671	1.00
8_D	103_Y	0.670	1.00
131_G	237_I	0.669	1.00
121_V	124_E	0.667	1.00
276_A	301_V	0.667	1.00
7_Y	106_R	0.664	1.00
207_I	214_V	0.663	1.00
266_M	300_S	0.663	1.00
35_I	97_K	0.662	1.00
90_G	94_K	0.662	1.00
118_K	237_I	0.660	1.00
20_T	24_Y	0.660	1.00
267_E	300_S	0.659	1.00
267_E	274_F	0.659	1.00
118_K	125_K	0.659	1.00
14_A	40_P	0.657	1.00
146_K	169_S	0.656	1.00
295_S	299_Q	0.656	1.00
186_L	189_R	0.651	1.00
174_V	199_L	0.649	1.00
20_T	294_G	0.648	1.00
165_T	195_K	0.646	1.00
119_I	237_I	0.645	1.00
274_F	297_A	0.644	1.00
40_P	79_Y	0.643	1.00
209_E	214_V	0.642	1.00
133_S	234_G	0.641	1.00
293_D	297_A	0.640	1.00
191_F	198_F	0.640	1.00
138_C	164_L	0.640	1.00
133_S	138_C	0.639	1.00
72_A	77_A	0.637	1.00
186_L	190_A	0.634	1.00
268_T	275_A	0.634	1.00
179_K	188_A	0.632	1.00
89_D	92_E	0.632	1.00
162_V	166_R	0.632	1.00
246_K	250_N	0.631	1.00
35_I	105_A	0.631	1.00
110_I	247_P	0.628	1.00
36_E	81_Y	0.623	1.00
63_E	67_K	0.622	1.00
267_E	270_V	0.622	1.00
248_F	251_L	0.621	1.00
26_S	76_G	0.621	1.00
192_D	197_D	0.621	1.00
20_T	23_V	0.618	1.00
10_I	93_Y	0.616	1.00
215_G	218_T	0.615	1.00
141_A	234_G	0.614	1.00
175_H	182_A	0.610	1.00
26_S	78_E	0.607	1.00
276_A	294_G	0.607	1.00
85_K	88_I	0.607	1.00
17_A	111_A	0.606	1.00
21_A	298_A	0.606	1.00
11_I	111_A	0.605	1.00
143_F	146_K	0.603	1.00
71_H	74_K	0.602	1.00
30_L	106_R	0.602	1.00
66_N	69_F	0.602	1.00
23_V	75_F	0.601	1.00
26_S	31_S	0.599	1.00
11_I	32_T	0.598	1.00
64_L	67_K	0.596	1.00
134_Y	138_C	0.595	1.00
292_G	295_S	0.594	1.00
175_H	178_D	0.593	1.00
8_D	105_A	0.593	1.00
61_G	65_S	0.592	1.00
146_K	234_G	0.592	1.00
161_G	171_V	0.585	1.00
247_P	251_L	0.584	1.00
292_G	296_I	0.582	1.00
62_P	65_S	0.580	1.00
146_K	170_K	0.578	1.00
154_G	240_G	0.576	1.00
281_E	293_D	0.573	1.00
129_G	138_C	0.573	1.00
173_I	198_F	0.572	1.00
59_I	67_K	0.572	1.00
286_Q	289_T	0.571	1.00
261_E	264_D	0.571	1.00
299_Q	303_H	0.570	1.00
160_E	163_Y	0.570	1.00
69_F	81_Y	0.569	1.00
129_G	133_S	0.568	1.00
30_L	301_V	0.565	1.00
67_K	71_H	0.565	1.00
20_T	291_T	0.564	1.00
52_N	55_G	0.559	1.00
36_E	79_Y	0.558	1.00
120_G	125_K	0.557	1.00
50_V	55_G	0.556	1.00
40_P	69_F	0.554	1.00
119_I	124_E	0.552	1.00
89_D	93_Y	0.551	1.00
118_K	124_E	0.551	1.00
175_H	180_L	0.551	1.00
61_G	64_L	0.550	1.00
112_A	247_P	0.549	1.00
121_V	207_I	0.548	1.00
160_E	236_F	0.547	1.00
160_E	238_Y	0.545	1.00
34_M	79_Y	0.541	1.00
56_F	59_I	0.541	1.00
84_I	87_V	0.539	1.00
150_V	157_A	0.538	1.00
92_E	272_G	0.536	1.00
157_A	238_Y	0.535	1.00
50_V	53_Y	0.533	1.00
175_H	179_K	0.532	1.00
93_Y	270_V	0.532	1.00
11_I	34_M	0.529	1.00
249_E	252_G	0.529	1.00
133_S	139_D	0.529	1.00
192_D	195_K	0.529	1.00
117_K	239_I	0.528	1.00
185_I	189_R	0.525	1.00
130_R	136_A	0.525	1.00
201_N	221_D	0.524	1.00
84_I	97_K	0.522	1.00
143_F	234_G	0.521	1.00
34_M	77_A	0.519	1.00
51_E	54_P	0.518	1.00
134_Y	139_D	0.517	1.00
187_Q	191_F	0.516	1.00
174_V	232_T	0.516	1.00
130_R	137_V	0.515	1.00
175_H	198_F	0.514	1.00
57_E	60_L	0.514	1.00
32_T	78_E	0.512	1.00
149_V	172_T	0.509	1.00
288_V	291_T	0.508	1.00
158_V	198_F	0.506	1.00
291_T	295_S	0.505	1.00
137_V	141_A	0.504	1.00
142_F	145_G	0.503	1.00
21_A	301_V	0.503	1.00
181_R	184_S	0.501	1.00
147_E	230_F	0.501	1.00
129_G	137_V	0.500	1.00

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
2q7vA	2	0.9652	100	0.244	Contact Map
3f8dA	2	0.962	100	0.252	Contact Map
2q0lA	2	0.9557	100	0.253	Contact Map
2a87A	2	0.9778	100	0.259	Contact Map
3ctyA	2	0.9589	100	0.26	Contact Map
4up3A	2	0.9557	100	0.261	Contact Map
1fl2A	2	0.962	100	0.261	Contact Map
3r9uA	2	0.9589	100	0.261	Contact Map
1hyuA	2	0.9778	100	0.273	Contact Map
4jnqA	2	0.9715	100	0.274	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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