RESA - BACSU - GREMLIN Contacts

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RESA - Thiol-disulfide oxidoreductase ResA

UniProt:	P35160	Sequences: MKKKRRLFIRTGILLVLICALGYTIYNAVFAGKESISEGSDAPNFVLEDTNGKRIELSDLKGKGVFLNFWGTWCEPCKKEFPYMANQYKHFKSQGVEIVAVNVGESKIAVHNFMKSYGVNFPVVLDTDRQVLDAYDVSPLPTTFLINPEGKVVKVVTGTMTESMIHDYMNLIKPGETSG	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	179 (143)
Sequences:	12907 (9961)
Seq/√Len:	833.0

ECOLI - DSBE TPX BCP AHPC
BACSU - RESA YKUV STOA YNEN TPX BCP AHPC YKUU
HALSA - Q9HP28 Q9HQE6 Q9HRG4 Q9HN00
SULSO - Q97WP9 Q97VL0 Q97WG5

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
64_G	148_P	3.828	1.00
49_D	53_K	2.990	1.00
85_A	120_N	2.814	1.00
46_V	54_R	2.752	1.00
147_N	153_V	2.589	1.00
63_K	97_E	2.564	1.00
147_N	151_K	2.515	1.00
107_K	111_H	2.467	1.00
48_E	54_R	2.336	1.00
46_V	56_E	2.239	1.00
56_E	59_D	2.029	1.00
146_I	152_V	2.023	1.00
42_A	135_Y	1.986	1.00
41_D	151_K	1.977	1.00
90_H	166_H	1.954	1.00
85_A	89_K	1.886	1.00
65_V	97_E	1.884	1.00
49_D	55_I	1.868	1.00
100_A	121_F	1.857	1.00
55_I	60_L	1.833	1.00
68_N	80_E	1.786	1.00
88_Y	92_K	1.756	1.00
44_N	58_S	1.741	1.00
166_H	170_N	1.724	1.00
50_T	114_M	1.701	1.00
66_F	145_L	1.684	1.00
78_K	117_Y	1.655	1.00
106_S	109_A	1.594	1.00
73_W	110_V	1.519	1.00
44_N	56_E	1.502	1.00
86_N	162_E	1.500	1.00
81_F	119_V	1.471	1.00
37_S	40_S	1.458	1.00
111_H	115_K	1.420	1.00
83_Y	86_N	1.377	1.00
68_N	143_T	1.374	1.00
64_G	145_L	1.344	1.00
130_Q	134_A	1.338	1.00
47_L	124_V	1.304	1.00
164_M	167_D	1.284	1.00
142_T	155_V	1.239	1.00
107_K	125_L	1.231	1.00
74_C	77_C	1.209	1.00
108_I	112_N	1.179	1.00
113_F	117_Y	1.178	1.00
64_G	153_V	1.160	1.00
102_N	110_V	1.157	1.00
97_E	122_P	1.144	1.00
74_C	117_Y	1.139	1.00
112_N	116_S	1.135	1.00
78_K	116_S	1.125	1.00
103_V	132_L	1.103	1.00
144_F	152_V	1.087	1.00
78_K	113_F	1.087	1.00
103_V	129_R	1.087	1.00
80_E	143_T	1.078	1.00
66_F	143_T	1.076	1.00
88_Y	120_N	1.074	1.00
69_F	101_V	1.060	1.00
65_V	146_I	1.054	1.00
60_L	99_V	1.051	1.00
87_Q	165_I	1.047	1.00
162_E	166_H	1.040	1.00
83_Y	162_E	1.037	1.00
60_L	65_V	1.036	1.00
164_M	168_Y	1.034	1.00
39_G	151_K	1.032	1.00
66_F	96_V	1.007	1.00
51_N	111_H	1.004	1.00
86_N	90_H	1.002	1.00
86_N	89_K	0.994	1.00
72_T	110_V	0.989	1.00
85_A	121_F	0.989	1.00
55_I	59_D	0.988	1.00
69_F	135_Y	0.983	1.00
66_F	84_M	0.977	1.00
44_N	57_L	0.973	1.00
49_D	124_V	0.967	1.00
89_K	92_K	0.964	1.00
71_G	140_L	0.960	1.00
92_K	97_E	0.956	1.00
82_P	86_N	0.948	1.00
58_S	61_K	0.948	1.00
112_N	115_K	0.944	1.00
154_K	168_Y	0.929	1.00
154_K	171_L	0.928	1.00
92_K	95_G	0.928	1.00
45_F	57_L	0.922	1.00
67_L	146_I	0.921	1.00
87_Q	90_H	0.916	1.00
126_D	129_R	0.911	1.00
48_E	107_K	0.908	1.00
79_K	159_T	0.903	1.00
130_Q	133_D	0.903	1.00
45_F	131_V	0.880	1.00
114_M	123_V	0.876	1.00
38_E	154_K	0.868	1.00
62_G	150_G	0.865	1.00
90_H	162_E	0.864	1.00
71_G	74_C	0.860	1.00
103_V	140_L	0.851	1.00
84_M	98_I	0.846	1.00
88_Y	97_E	0.844	1.00
167_D	171_L	0.840	1.00
165_I	168_Y	0.839	1.00
72_T	113_F	0.827	1.00
85_A	118_G	0.820	1.00
65_V	99_V	0.820	1.00
163_S	167_D	0.819	1.00
110_V	125_L	0.818	1.00
64_G	96_V	0.810	1.00
79_K	82_P	0.805	1.00
168_Y	171_L	0.800	1.00
91_F	170_N	0.799	1.00
68_N	76_P	0.797	1.00
82_P	85_A	0.797	1.00
64_G	95_G	0.794	1.00
91_F	166_H	0.792	1.00
71_G	76_P	0.786	1.00
145_L	156_V	0.784	1.00
108_I	111_H	0.784	1.00
75_E	79_K	0.781	1.00
68_N	81_F	0.778	1.00
57_L	60_L	0.777	1.00
163_S	166_H	0.774	1.00
81_F	113_F	0.769	1.00
50_T	111_H	0.767	1.00
81_F	85_A	0.765	1.00
95_G	148_P	0.763	1.00
49_D	122_P	0.756	1.00
137_V	140_L	0.750	1.00
89_K	120_N	0.746	1.00
36_I	39_G	0.743	1.00
47_L	131_V	0.743	1.00
161_T	164_M	0.741	1.00
152_V	155_V	0.738	1.00
131_V	135_Y	0.732	1.00
131_V	134_A	0.721	1.00
145_L	154_K	0.711	1.00
57_L	65_V	0.710	1.00
81_F	117_Y	0.708	1.00
62_G	148_P	0.701	1.00
55_I	124_V	0.701	1.00
77_C	80_E	0.695	1.00
85_A	88_Y	0.693	1.00
109_A	112_N	0.693	1.00
167_D	170_N	0.692	1.00
137_V	142_T	0.692	1.00
38_E	155_V	0.691	1.00
48_E	127_T	0.690	1.00
91_F	96_V	0.690	1.00
36_I	40_S	0.673	1.00
66_F	98_I	0.673	1.00
114_M	119_V	0.668	1.00
70_W	123_V	0.668	1.00
61_K	150_G	0.665	1.00
42_A	146_I	0.664	1.00
156_V	160_M	0.663	1.00
87_Q	91_F	0.663	1.00
68_N	84_M	0.660	1.00
41_D	61_K	0.658	1.00
83_Y	159_T	0.652	1.00
100_A	123_V	0.651	1.00
145_L	168_Y	0.651	1.00
110_V	123_V	0.649	1.00
76_P	140_L	0.648	1.00
71_G	75_E	0.648	1.00
162_E	165_I	0.648	1.00
60_L	97_E	0.647	1.00
139_P	142_T	0.642	1.00
146_I	150_G	0.639	1.00
64_G	172_I	0.638	1.00
91_F	94_Q	0.625	1.00
157_T	161_T	0.622	1.00
156_V	159_T	0.620	1.00
70_W	100_A	0.617	1.00
132_L	137_V	0.616	1.00
156_V	168_Y	0.615	1.00
83_Y	87_Q	0.614	1.00
129_R	132_L	0.612	1.00
129_R	133_D	0.607	1.00
100_A	119_V	0.604	1.00
69_F	131_V	0.603	1.00
69_F	137_V	0.594	1.00
72_T	76_P	0.594	1.00
142_T	157_T	0.586	1.00
73_W	76_P	0.586	1.00
67_L	135_Y	0.585	1.00
62_G	147_N	0.572	1.00
65_V	150_G	0.572	1.00
153_V	172_I	0.562	1.00
42_A	57_L	0.557	1.00
110_V	113_F	0.551	1.00
81_F	121_F	0.548	1.00
61_K	65_V	0.545	1.00
74_C	116_S	0.545	1.00
123_V	126_D	0.544	1.00
73_W	140_L	0.531	1.00
74_C	141_P	0.530	1.00
145_L	172_I	0.529	1.00
57_L	135_Y	0.529	1.00
105_E	109_A	0.528	1.00
80_E	84_M	0.527	1.00
84_M	143_T	0.523	1.00
74_C	112_N	0.522	1.00
30_F	34_E	0.514	1.00
165_I	169_M	0.511	1.00
85_A	117_Y	0.509	1.00
57_L	61_K	0.509	1.00
168_Y	172_I	0.508	1.00
87_Q	169_M	0.508	1.00
48_E	52_G	0.501	1.00
76_P	159_T	0.500	1.00
126_D	130_Q	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
2hyxA	2	0.9665	100	0.282	Contact Map
3eytA	4	0.7989	100	0.322	Contact Map
3lorA	3	0.7821	100	0.324	Contact Map
2p5qA	3	0.7654	100	0.337	Contact Map
2f9sA	1	0.7765	100	0.339	Contact Map
3fw2A	2	0.7821	100	0.34	Contact Map
3hczA	2	0.8045	100	0.347	Contact Map
3eurA	1	0.7542	100	0.349	Contact Map
4nmuA	2	0.8212	100	0.349	Contact Map
2b1kA	1	0.7989	100	0.35	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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