Q980E5 - SULSO - GREMLIN Contacts

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Q980E5 - Thioredoxin (TrxA-1)

UniProt:	Q980E5	Sequences: MSEIDSLIKEVAERLQKKAEEYGKKKEDVTLVLTEENFDEVIRNNKLVLVDCWAEWCAPCHLYEPIYKKVAEKYKGKAVFGRLNVDENQKIADKYSVLNIPTTLIFVNGQLVDSLVGAVDEDTLESTVNKYLK	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	133 (104)
Sequences:	9923 (6433)
Seq/√Len:	630.8

ECOLI - THIO2 THIO YBBN
BACSU - THIO YDFQ BDBA YTPP YDBP YUSE
HALSA - O46709 Q9HQ69 Q9HMD0
SULSO - Q980E5 Q97WI4 Q980T5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
85_V	92_A	2.677	1.00
69_K	121_E	2.477	1.00
33_L	81_G	2.288	1.00
39_D	94_K	2.259	1.00
73_K	125_E	2.083	1.00
73_K	121_E	1.991	1.00
35_E	90_K	1.954	1.00
125_E	129_N	1.952	1.00
104_L	114_S	1.899	1.00
35_E	91_I	1.889	1.00
120_D	123_T	1.883	1.00
84_N	87_E	1.848	1.00
95_Y	106_F	1.751	1.00
48_V	79_V	1.713	1.00
111_L	114_S	1.693	1.00
66_I	121_E	1.692	1.00
74_Y	129_N	1.656	1.00
57_C	60_C	1.626	1.00
51_D	82_R	1.626	1.00
85_V	100_I	1.594	1.00
74_Y	125_E	1.588	1.00
104_L	111_L	1.581	1.00
35_E	88_N	1.557	1.00
66_I	69_K	1.533	1.00
37_N	41_V	1.467	1.00
39_D	43_R	1.460	1.00
34_T	37_N	1.453	1.00
33_L	41_V	1.443	1.00
46_K	79_V	1.441	1.00
67_Y	80_F	1.440	1.00
123_T	126_S	1.401	1.00
47_L	105_I	1.383	1.00
41_V	79_V	1.381	1.00
49_L	67_Y	1.379	1.00
113_D	127_T	1.377	1.00
29_V	72_E	1.372	1.00
118_A	123_T	1.360	1.00
105_I	131_Y	1.334	1.00
48_V	81_G	1.325	1.00
77_K	129_N	1.309	1.00
49_L	103_T	1.293	1.00
55_E	84_N	1.282	1.00
29_V	75_K	1.252	1.00
83_L	91_I	1.226	1.00
70_V	125_E	1.214	1.00
70_V	80_F	1.197	1.00
34_T	88_N	1.191	1.00
121_E	125_E	1.165	1.00
63_Y	103_T	1.164	1.00
105_I	127_T	1.157	1.00
115_L	119_V	1.157	1.00
89_Q	93_D	1.152	1.00
115_L	127_T	1.151	1.00
31_L	41_V	1.149	1.00
50_V	106_F	1.060	1.00
31_L	79_V	1.059	1.00
64_E	68_K	1.055	1.00
41_V	48_V	1.052	1.00
51_D	64_E	1.047	1.00
119_V	123_T	1.033	1.00
103_T	124_L	1.024	1.00
53_W	82_R	1.020	1.00
70_V	121_E	0.999	1.00
127_T	131_Y	0.982	1.00
52_C	97_V	0.972	1.00
63_Y	66_I	0.943	1.00
64_E	82_R	0.941	1.00
68_K	82_R	0.924	1.00
90_K	94_K	0.915	1.00
32_V	82_R	0.911	1.00
83_L	92_A	0.906	1.00
107_V	112_V	0.901	1.00
63_Y	124_L	0.882	1.00
45_N	108_N	0.850	1.00
52_C	95_Y	0.837	1.00
105_I	128_V	0.833	1.00
122_D	126_S	0.832	1.00
70_V	124_L	0.799	1.00
42_I	48_V	0.798	1.00
53_W	84_N	0.788	1.00
67_Y	103_T	0.783	1.00
74_Y	77_K	0.782	1.00
38_F	42_I	0.774	1.00
66_I	120_D	0.769	1.00
90_K	93_D	0.768	1.00
49_L	80_F	0.767	1.00
78_A	128_V	0.765	1.00
32_V	87_E	0.758	1.00
119_V	127_T	0.756	1.00
70_V	74_Y	0.752	1.00
127_T	130_K	0.751	1.00
52_C	85_V	0.749	1.00
37_N	81_G	0.748	1.00
58_A	61_H	0.730	1.00
52_C	104_L	0.727	1.00
126_S	129_N	0.726	1.00
51_D	59_P	0.709	1.00
38_F	91_I	0.707	1.00
47_L	107_V	0.704	1.00
55_E	86_D	0.704	1.00
110_Q	113_D	0.688	1.00
49_L	128_V	0.686	1.00
88_N	91_I	0.685	1.00
98_L	114_S	0.682	1.00
33_L	83_L	0.655	1.00
63_Y	67_Y	0.653	1.00
46_K	76_G	0.648	1.00
33_L	37_N	0.645	1.00
66_I	118_A	0.644	1.00
106_F	111_L	0.641	1.00
40_E	43_R	0.638	1.00
54_A	86_D	0.636	1.00
58_A	62_L	0.635	1.00
63_Y	119_V	0.634	1.00
38_F	52_C	0.632	1.00
113_D	130_K	0.631	1.00
89_Q	92_A	0.627	1.00
30_T	71_A	0.626	1.00
51_D	63_Y	0.626	1.00
28_D	68_K	0.624	1.00
38_F	95_Y	0.616	1.00
56_W	61_H	0.615	1.00
71_A	80_F	0.615	1.00
91_I	94_K	0.612	1.00
55_E	87_E	0.602	1.00
56_W	86_D	0.597	1.00
67_Y	128_V	0.594	1.00
59_P	99_N	0.578	1.00
31_L	81_G	0.573	1.00
37_N	40_E	0.573	1.00
62_L	118_A	0.570	1.00
72_E	75_K	0.570	1.00
52_C	83_L	0.568	1.00
62_L	66_I	0.567	1.00
55_E	100_I	0.565	1.00
97_V	102_T	0.558	1.00
109_G	113_D	0.554	1.00
49_L	105_I	0.553	1.00
74_Y	78_A	0.552	1.00
59_P	62_L	0.551	1.00
96_S	114_S	0.545	1.00
54_A	60_C	0.540	0.99
83_L	88_N	0.535	0.99
30_T	67_Y	0.531	0.99
53_W	100_I	0.528	0.99
113_D	131_Y	0.523	0.99
126_S	130_K	0.521	0.99
56_W	100_I	0.519	0.99
33_L	50_V	0.519	0.99
85_V	97_V	0.511	0.99
28_D	32_V	0.509	0.99
31_L	48_V	0.508	0.99
60_C	65_P	0.507	0.99
103_T	115_L	0.505	0.99
55_E	61_H	0.503	0.99
46_K	108_N	0.500	0.99

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
3f8uA	2	0.797	99.9	0.242	Contact Map
2r2jA	2	0.7744	99.9	0.245	Contact Map
2b5eA	1	0.8722	99.8	0.264	Contact Map
3apoA	1	0.8271	99.8	0.267	Contact Map
3us3A	2	0.8797	99.8	0.283	Contact Map
1sjiA	2	0.8647	99.8	0.285	Contact Map
4ekzA	1	0.9549	99.8	0.298	Contact Map
3ed3A	1	0.8496	99.8	0.3	Contact Map
3idvA	1	0.8496	99.8	0.318	Contact Map
3bj5A	1	0.7895	99.8	0.325	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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