Q97WI4 - SULSO - GREMLIN Contacts

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Q97WI4 - Thioredoxin (TrxA-2)

UniProt:	Q97WI4	Sequences: MNDELNDPELQKILSKKTTQILNNLKEKVKEPVKHLNSKNFDEFITKNKIVVVDFWAEWCAPCLILAPVIEELANDYPQVAFGKLNTEESQDIAMRYGIMSLPTIMFFKNGELVDQILGAVPREEIEVRLKSLLE	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	135 (105)
Sequences:	7622 (5023)
Seq/√Len:	490.2

ECOLI - THIO2 THIO YBBN
BACSU - YDFQ YTPP THIO YDBP BDBA YUSE
HALSA - O46709 Q9HQ69 Q9HMD0
SULSO - Q97WI4 Q980E5 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
87_T	94_A	2.815	1.00
72_E	123_R	2.413	1.00
42_D	96_R	2.381	1.00
36_L	83_G	2.249	1.00
76_D	127_E	2.140	1.00
106_M	116_Q	2.108	1.00
122_P	125_E	2.067	1.00
38_S	92_D	1.962	1.00
127_E	131_K	1.916	1.00
38_S	93_I	1.886	1.00
69_V	123_R	1.859	1.00
97_Y	108_F	1.779	1.00
60_C	63_C	1.742	1.00
76_D	123_R	1.735	1.00
86_N	89_E	1.732	1.00
54_D	84_K	1.680	1.00
113_L	116_Q	1.678	1.00
69_V	72_E	1.637	1.00
52_V	70_I	1.620	1.00
51_V	81_A	1.618	1.00
70_I	82_F	1.588	1.00
77_Y	127_E	1.578	1.00
120_A	125_E	1.569	1.00
34_K	44_F	1.521	1.00
37_N	40_N	1.516	1.00
40_N	44_F	1.507	1.00
87_T	102_L	1.497	1.00
77_Y	131_K	1.487	1.00
50_I	107_F	1.486	1.00
44_F	81_A	1.478	1.00
38_S	90_S	1.461	1.00
32_P	75_N	1.436	1.00
85_L	93_I	1.392	1.00
66_L	105_I	1.376	1.00
36_L	44_F	1.375	1.00
49_K	81_A	1.371	1.00
32_P	78_P	1.371	1.00
58_E	86_N	1.366	1.00
42_D	46_T	1.352	1.00
125_E	128_V	1.348	1.00
107_F	133_L	1.299	1.00
54_D	67_A	1.259	1.00
73_L	82_F	1.239	1.00
51_V	83_G	1.236	1.00
106_M	113_L	1.230	1.00
44_F	51_V	1.221	1.00
53_V	108_F	1.182	1.00
123_R	127_E	1.161	1.00
52_V	105_I	1.158	1.00
67_A	71_E	1.151	1.00
73_L	127_E	1.148	1.00
115_D	129_R	1.131	1.00
73_L	123_R	1.122	1.00
66_L	69_V	1.120	1.00
34_K	81_A	1.098	1.00
37_N	90_S	1.073	1.00
85_L	94_A	1.068	1.00
67_A	84_K	1.049	1.00
121_V	125_E	1.047	1.00
91_Q	95_M	1.003	1.00
124_E	128_V	0.999	1.00
71_E	84_K	0.997	1.00
129_R	133_L	0.985	1.00
66_L	126_I	0.982	1.00
107_F	129_R	0.977	1.00
55_F	97_Y	0.955	1.00
55_F	99_I	0.952	1.00
45_I	51_V	0.941	1.00
117_I	121_V	0.927	1.00
41_F	45_I	0.919	1.00
117_I	129_R	0.913	1.00
57_A	88_E	0.896	1.00
58_E	88_E	0.894	1.00
56_W	86_N	0.893	1.00
35_H	84_K	0.885	1.00
41_F	55_F	0.868	1.00
74_A	82_F	0.868	1.00
55_F	106_M	0.866	1.00
48_N	110_N	0.851	1.00
107_F	130_L	0.851	1.00
52_V	82_F	0.837	1.00
73_L	126_I	0.822	1.00
69_V	122_P	0.820	1.00
50_I	79_Q	0.818	1.00
92_D	96_R	0.789	1.00
80_V	130_L	0.774	1.00
56_W	84_K	0.773	1.00
105_I	126_I	0.770	1.00
52_V	107_F	0.766	1.00
75_N	78_P	0.746	1.00
128_V	131_K	0.742	1.00
54_D	62_P	0.722	1.00
121_V	129_R	0.716	1.00
61_A	64_L	0.713	1.00
109_K	114_V	0.706	1.00
66_L	70_I	0.706	1.00
90_S	93_I	0.695	1.00
41_F	97_Y	0.690	1.00
36_L	40_N	0.689	1.00
73_L	77_Y	0.688	1.00
62_P	101_S	0.688	1.00
34_K	51_V	0.683	1.00
33_V	74_A	0.678	1.00
33_V	70_I	0.677	1.00
91_Q	94_A	0.662	1.00
70_I	105_I	0.659	1.00
55_F	87_T	0.658	1.00
50_I	109_K	0.653	1.00
100_M	116_Q	0.645	1.00
115_D	133_L	0.639	1.00
79_Q	131_K	0.637	1.00
52_V	126_I	0.637	1.00
70_I	130_L	0.625	1.00
69_V	73_L	0.621	1.00
129_R	132_S	0.617	0.99
52_V	130_L	0.613	0.99
59_W	64_L	0.608	0.99
43_E	46_T	0.606	0.99
35_H	89_E	0.606	0.99
77_Y	80_V	0.604	0.99
65_I	69_V	0.602	0.99
40_N	83_G	0.597	0.99
49_K	79_Q	0.587	0.99
34_K	83_G	0.586	0.99
57_A	68_P	0.581	0.99
41_F	93_I	0.580	0.99
31_E	71_E	0.573	0.99
115_D	132_S	0.572	0.99
36_L	53_V	0.571	0.99
56_W	102_L	0.571	0.99
53_V	83_G	0.570	0.99
59_W	88_E	0.568	0.99
44_F	48_N	0.566	0.99
57_A	60_C	0.561	0.99
57_A	63_C	0.554	0.99
77_Y	82_F	0.550	0.99
76_D	124_E	0.547	0.99
119_G	125_E	0.546	0.99
55_F	85_L	0.545	0.99
58_E	89_E	0.544	0.99
41_F	53_V	0.543	0.99
59_W	102_L	0.537	0.99
93_I	97_Y	0.533	0.99
54_D	66_L	0.532	0.99
61_A	65_I	0.531	0.99
99_I	104_T	0.530	0.98
61_A	101_S	0.519	0.98
36_L	51_V	0.518	0.98
70_I	126_I	0.517	0.98
87_T	99_I	0.514	0.98
29_V	32_P	0.513	0.98
34_K	40_N	0.509	0.98
62_P	119_G	0.507	0.98
88_E	91_Q	0.507	0.98
63_C	68_P	0.506	0.98
92_D	95_M	0.506	0.98
72_E	75_N	0.500	0.98
85_L	90_S	0.500	0.98

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
2r2jA	2	0.7556	99.9	0.239	Contact Map
3f8uA	2	0.7778	99.9	0.241	Contact Map
2b5eA	1	0.8519	99.8	0.252	Contact Map
3apoA	1	0.8296	99.8	0.265	Contact Map
4ekzA	1	0.9333	99.8	0.28	Contact Map
3us3A	2	0.8593	99.8	0.283	Contact Map
1sjiA	2	0.8444	99.8	0.289	Contact Map
3ed3A	1	0.8296	99.8	0.309	Contact Map
3idvA	1	0.8296	99.8	0.313	Contact Map
3t58A	1	0.8296	99.8	0.326	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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