DSBE - ECOLI - GREMLIN Contacts

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DSBE - Thiol:disulfide interchange protein DsbE

UniProt:	P0AA86	Sequences: MKRKVLLIPLIIFLAIAAALLWQLARNAEGDDPTNLESALIGKPVPKFRLESLDNPGQFYQADVLTQGKPVLLNVWATWCPTCRAEHQYLNQLSAQGIRVVGMNYKDDRQKAISWLKELGNPYALSLFDGDGMLGLDLGVYGAPETFLIDGNGIIRYRHAGDLNPRVWEEEIKPLWEKYSKEAAQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
EcoGene:	EG12053
Length:	185 (159)
Sequences:	8576 (7237)
Seq/√Len:	574.0

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

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
70_P	151_G	3.398	1.00
52_S	56_P	2.932	1.00
96_Q	169_E	2.773	1.00
109_R	113_I	2.768	1.00
91_N	122_P	2.699	1.00
69_K	99_R	2.651	1.00
150_D	154_I	2.602	1.00
91_N	95_A	2.517	1.00
150_D	156_R	2.482	1.00
61_Q	64_V	2.411	1.00
21_L	24_L	2.102	1.00
169_E	173_K	2.033	1.00
84_R	119_L	2.032	1.00
71_V	99_R	2.028	1.00
102_G	123_Y	1.988	1.00
74_N	86_E	1.958	1.00
149_I	155_I	1.957	1.00
51_E	57_G	1.947	1.00
60_Y	65_L	1.945	1.00
72_L	148_L	1.937	1.00
49_R	61_Q	1.874	1.00
45_V	138_L	1.809	1.00
44_P	154_I	1.775	1.00
108_D	111_K	1.760	1.00
92_Q	165_P	1.698	1.00
47_K	63_D	1.677	1.00
52_S	60_Y	1.657	1.00
74_N	146_T	1.654	1.00
104_N	112_A	1.573	1.00
49_R	57_G	1.551	1.00
84_R	118_E	1.535	1.00
85_A	162_D	1.525	1.00
109_R	128_F	1.517	1.00
70_P	148_L	1.509	1.00
78_T	112_A	1.508	1.00
171_E	174_P	1.435	1.00
114_S	118_E	1.431	1.00
47_K	61_Q	1.423	1.00
72_L	98_I	1.419	1.00
157_Y	171_E	1.416	1.00
80_C	83_C	1.391	1.00
89_Y	92_Q	1.385	1.00
87_H	121_N	1.360	1.00
19_A	22_W	1.342	1.00
75_V	138_L	1.338	1.00
72_L	90_L	1.325	1.00
50_L	127_L	1.324	1.00
90_L	100_V	1.303	1.00
48_F	134_L	1.292	1.00
77_A	143_A	1.287	1.00
110_Q	114_S	1.281	1.00
86_E	146_T	1.248	1.00
71_V	149_I	1.240	1.00
72_L	146_T	1.238	1.00
167_V	170_E	1.230	1.00
92_Q	95_A	1.206	1.00
165_P	169_E	1.206	1.00
115_W	119_L	1.197	1.00
92_Q	96_Q	1.186	1.00
89_Y	165_P	1.182	1.00
22_W	25_A	1.180	1.00
84_R	115_W	1.173	1.00
113_I	117_K	1.164	1.00
65_L	101_V	1.163	1.00
17_A	21_L	1.160	1.00
73_L	149_I	1.155	1.00
75_V	103_M	1.153	1.00
39_A	42_G	1.137	1.00
116_L	126_S	1.130	1.00
171_E	175_L	1.120	1.00
114_S	117_K	1.086	1.00
145_E	158_R	1.085	1.00
47_K	62_A	1.080	1.00
65_L	71_V	1.077	1.00
166_R	170_E	1.067	1.00
42_G	154_I	1.058	1.00
112_A	128_F	1.054	1.00
21_L	25_A	1.051	1.00
105_Y	143_A	1.050	1.00
164_N	167_V	1.048	1.00
18_A	21_L	1.043	1.00
18_A	22_W	1.042	1.00
60_Y	64_V	1.039	1.00
48_F	62_A	1.039	1.00
129_D	132_G	1.020	1.00
167_V	171_E	1.020	1.00
156_R	175_L	1.011	1.00
74_N	82_T	0.998	1.00
133_M	137_D	0.993	1.00
40_L	43_K	0.978	1.00
71_V	101_V	0.977	1.00
99_R	124_A	0.974	1.00
147_F	155_I	0.965	1.00
170_E	173_K	0.952	1.00
94_S	99_R	0.946	1.00
52_S	127_L	0.942	1.00
72_L	100_V	0.916	1.00
87_H	123_Y	0.913	1.00
87_H	115_W	0.896	1.00
91_N	120_G	0.887	1.00
82_T	143_A	0.882	1.00
116_L	121_N	0.880	1.00
15_A	19_A	0.878	1.00
170_E	174_P	0.875	1.00
20_L	24_L	0.871	1.00
67_Q	71_V	0.870	1.00
51_E	109_R	0.864	1.00
78_T	115_W	0.862	1.00
63_D	67_Q	0.854	1.00
70_P	156_R	0.851	1.00
19_A	24_L	0.841	1.00
155_I	158_R	0.834	1.00
135_G	140_V	0.831	1.00
53_L	116_L	0.825	1.00
148_L	157_Y	0.825	1.00
79_W	143_A	0.823	1.00
95_A	122_P	0.823	1.00
93_L	169_E	0.822	1.00
62_A	65_L	0.821	1.00
50_L	134_L	0.821	1.00
105_Y	135_G	0.821	1.00
159_H	163_L	0.819	1.00
68_G	151_G	0.806	1.00
102_G	126_S	0.804	1.00
17_A	22_W	0.799	1.00
62_A	71_V	0.797	1.00
97_G	151_G	0.795	1.00
32_D	35_N	0.791	1.00
163_L	168_W	0.786	1.00
75_V	134_L	0.786	1.00
39_A	43_K	0.783	1.00
81_P	85_A	0.781	1.00
111_K	114_S	0.780	1.00
60_Y	127_L	0.777	1.00
133_M	136_L	0.776	1.00
87_H	119_L	0.764	1.00
93_L	172_I	0.764	1.00
93_L	168_W	0.763	1.00
75_V	140_V	0.761	1.00
87_H	91_N	0.758	1.00
106_K	132_G	0.755	1.00
91_N	94_S	0.748	1.00
148_L	171_E	0.748	1.00
102_G	121_N	0.745	1.00
20_L	23_Q	0.738	1.00
17_A	20_L	0.737	1.00
110_Q	113_I	0.736	1.00
104_N	107_D	0.730	1.00
134_L	138_L	0.728	1.00
56_P	60_Y	0.727	1.00
70_P	175_L	0.724	1.00
23_Q	26_R	0.724	1.00
166_R	169_E	0.717	1.00
112_A	126_S	0.713	1.00
76_W	102_G	0.712	1.00
148_L	175_L	0.712	1.00
53_L	113_I	0.708	1.00
91_N	123_Y	0.707	1.00
159_H	171_E	0.703	1.00
62_A	67_Q	0.697	1.00
82_T	88_Q	0.696	1.00
140_V	145_E	0.689	1.00
134_L	137_D	0.685	1.00
19_A	23_Q	0.682	1.00
82_T	162_D	0.679	1.00
149_I	153_G	0.678	1.00
71_V	153_G	0.672	1.00
16_I	20_L	0.650	1.00
74_N	90_L	0.647	1.00
76_W	126_S	0.644	1.00
168_W	171_E	0.623	1.00
89_Y	93_L	0.620	1.00
33_P	37_E	0.617	1.00
78_T	104_N	0.617	1.00
90_L	146_T	0.617	1.00
31_D	35_N	0.616	1.00
89_Y	164_N	0.616	1.00
83_C	86_E	0.613	1.00
31_D	34_T	0.613	1.00
165_P	168_W	0.609	1.00
88_Q	92_Q	0.609	1.00
94_S	122_P	0.609	1.00
94_S	97_G	0.606	1.00
16_I	19_A	0.600	1.00
10_L	17_A	0.598	1.00
14_L	18_A	0.594	1.00
41_I	157_Y	0.590	1.00
76_W	104_N	0.588	1.00
142_G	145_E	0.587	1.00
96_Q	165_P	0.585	1.00
10_L	13_F	0.583	1.00
82_T	142_G	0.582	1.00
78_T	111_K	0.581	1.00
85_A	88_Q	0.577	1.00
45_V	149_I	0.576	1.00
94_S	124_A	0.576	1.00
81_P	84_R	0.576	1.00
82_T	115_W	0.573	1.00
51_E	130_G	0.568	0.99
52_S	55_N	0.565	0.99
57_G	61_Q	0.560	0.99
147_F	158_R	0.559	0.99
15_A	18_A	0.557	0.99
13_F	17_A	0.554	0.99
78_T	82_T	0.551	0.99
62_A	138_L	0.549	0.99
68_G	153_G	0.549	0.99
74_N	87_H	0.549	0.99
93_L	100_V	0.549	0.99
13_F	16_I	0.543	0.99
82_T	86_E	0.539	0.99
22_W	26_R	0.538	0.99
70_P	97_G	0.538	0.99
100_V	172_I	0.536	0.99
14_L	17_A	0.534	0.99
54_D	113_I	0.534	0.99
68_G	71_V	0.530	0.99
112_A	115_W	0.529	0.99
90_L	102_G	0.522	0.99
80_C	88_Q	0.521	0.99
16_I	21_L	0.521	0.99
145_E	160_A	0.517	0.99
141_Y	160_A	0.516	0.99
109_R	130_G	0.516	0.99
96_Q	173_K	0.514	0.99
70_P	98_I	0.514	0.99
76_W	112_A	0.512	0.99
41_I	158_R	0.511	0.99
78_T	87_H	0.511	0.99
129_D	133_M	0.510	0.99
32_D	37_E	0.510	0.99
129_D	135_G	0.506	0.99
148_L	159_H	0.504	0.99
30_G	34_T	0.504	0.99
132_G	135_G	0.502	0.99
68_G	99_R	0.501	0.99
70_P	172_I	0.500	0.99
44_P	67_Q	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
2b1kA	1	0.7946	100	0.326	Contact Map
2hyxA	2	0.9189	100	0.335	Contact Map
3eytA	4	0.7514	100	0.345	Contact Map
3lorA	3	0.7351	100	0.35	Contact Map
1kngA	1	0.7297	100	0.352	Contact Map
2p5qA	3	0.7189	100	0.361	Contact Map
3fw2A	2	0.7351	100	0.368	Contact Map
3eurA	1	0.7081	100	0.371	Contact Map
4k9zA	3	0.7405	100	0.376	Contact Map
2f9sA	1	0.7297	100	0.377	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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