RSBV - BACSU - GREMLIN Contacts

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RSBV - Anti-sigma-B factor antagonist

UniProt:	P17903	Sequences: MNINVDVKQNENDIQVNIAGEIDVYSAPVLREKLVPLAEQGADLRICLKDVSYMDSTGLGVFVGTFKMVKKQGGSLKLENLSERLIRLFDITGLKDIIDISAKSEGGVQ	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	109 (103)
Sequences:	2139 (1630)
Seq/√Len:	160.6

BACSU - RSBV SP2AA

GREMLIN Results:

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

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
103_K	106_G	3.377	1.00
47_C	104_S	2.681	1.00
19_A	50_D	2.674	1.00
49_K	80_N	2.437	1.00
90_D	95_K	2.373	1.00
79_E	104_S	2.300	1.00
69_V	74_G	2.276	1.00
62_F	98_I	2.145	1.00
81_L	89_F	2.026	1.00
22_I	51_V	2.013	1.00
102_A	106_G	1.939	1.00
48_L	51_V	1.915	1.00
31_R	55_D	1.913	1.00
46_I	62_F	1.900	1.00
59_L	92_T	1.877	1.00
86_I	90_D	1.866	1.00
34_L	65_T	1.823	1.00
60_G	63_V	1.764	1.00
8_K	17_N	1.738	1.00
35_V	68_M	1.680	1.00
77_K	99_D	1.604	1.00
77_K	101_S	1.547	1.00
27_A	61_V	1.532	1.00
60_G	64_G	1.529	1.00
21_E	87_R	1.517	1.00
18_I	30_L	1.513	1.00
33_K	36_P	1.509	1.00
9_Q	42_A	1.473	1.00
66_F	98_I	1.467	1.00
23_D	26_S	1.450	1.00
43_D	75_S	1.426	1.00
55_D	60_G	1.394	1.00
31_R	60_G	1.383	1.00
24_V	55_D	1.337	1.00
12_N	43_D	1.333	1.00
43_D	74_G	1.321	1.00
78_L	98_I	1.317	1.00
75_S	99_D	1.306	1.00
36_P	40_Q	1.295	1.00
35_V	39_E	1.189	1.00
31_R	64_G	1.180	1.00
23_D	93_G	1.170	1.00
30_L	61_V	1.166	1.00
9_Q	12_N	1.129	1.00
86_I	102_A	1.120	1.00
39_E	68_M	1.116	1.00
45_R	79_E	1.099	1.00
101_S	107_G	1.092	1.00
17_N	47_C	1.091	1.00
24_V	54_M	1.053	0.99
6_D	17_N	1.051	0.99
17_N	50_D	1.038	0.99
45_R	107_G	1.023	0.99
47_C	80_N	1.003	0.99
63_V	66_F	0.995	0.99
78_L	89_F	0.965	0.99
86_I	95_K	0.946	0.99
53_Y	94_L	0.924	0.98
35_V	65_T	0.924	0.98
54_M	85_L	0.910	0.98
24_V	59_L	0.905	0.98
13_D	45_R	0.904	0.98
60_G	94_L	0.880	0.98
60_G	93_G	0.871	0.98
54_M	88_L	0.862	0.97
32_E	36_P	0.854	0.97
81_L	86_I	0.853	0.97
29_V	32_E	0.852	0.97
16_V	65_T	0.851	0.97
17_N	104_S	0.840	0.97
16_V	34_L	0.834	0.97
22_I	54_M	0.831	0.97
49_K	81_L	0.823	0.97
63_V	94_L	0.798	0.96
60_G	67_K	0.795	0.96
38_A	41_G	0.778	0.95
55_D	94_L	0.775	0.95
78_L	81_L	0.773	0.95
21_E	93_G	0.772	0.95
60_G	88_L	0.766	0.95
54_M	60_G	0.765	0.95
55_D	88_L	0.762	0.95
21_E	55_D	0.749	0.94
59_L	88_L	0.747	0.94
89_F	100_I	0.744	0.94
41_G	74_G	0.743	0.94
29_V	33_K	0.738	0.94
66_F	94_L	0.737	0.94
92_T	97_I	0.736	0.94
7_V	33_K	0.734	0.94
66_F	70_K	0.714	0.93
88_L	92_T	0.704	0.92
81_L	100_I	0.703	0.92
57_T	94_L	0.683	0.91
34_L	46_I	0.679	0.91
52_S	82_S	0.676	0.90
70_K	75_S	0.669	0.90
22_I	30_L	0.662	0.90
24_V	89_F	0.655	0.89
46_I	65_T	0.654	0.89
94_L	98_I	0.649	0.89
21_E	52_S	0.645	0.88
12_N	42_A	0.638	0.88
27_A	31_R	0.633	0.87
66_F	92_T	0.632	0.87
20_G	51_V	0.629	0.87
54_M	98_I	0.626	0.87
37_L	40_Q	0.625	0.87
45_R	77_K	0.622	0.86
28_P	32_E	0.618	0.86
46_I	76_L	0.617	0.86
9_Q	15_Q	0.614	0.86
62_F	89_F	0.613	0.86
67_K	94_L	0.609	0.85
35_V	88_L	0.609	0.85
86_I	100_I	0.604	0.85
62_F	92_T	0.604	0.85
82_S	85_L	0.603	0.85
48_L	76_L	0.599	0.84
67_K	92_T	0.598	0.84
87_R	93_G	0.597	0.84
61_V	64_G	0.595	0.84
48_L	82_S	0.594	0.84
48_L	62_F	0.594	0.84
23_D	88_L	0.593	0.84
31_R	76_L	0.583	0.83
101_S	106_G	0.580	0.82
21_E	24_V	0.576	0.82
55_D	87_R	0.573	0.82
13_D	43_D	0.570	0.81
61_V	65_T	0.566	0.81
65_T	76_L	0.560	0.80
17_N	49_K	0.558	0.80
89_F	98_I	0.556	0.80
59_L	64_G	0.556	0.80
45_R	104_S	0.553	0.79
38_A	68_M	0.549	0.79
53_Y	61_V	0.549	0.79
25_Y	53_Y	0.547	0.79
20_G	50_D	0.534	0.77
83_E	90_D	0.532	0.77
66_F	96_D	0.531	0.77
7_V	37_L	0.525	0.76
33_K	37_L	0.525	0.76
103_K	107_G	0.523	0.75
15_Q	41_G	0.518	0.75
14_I	44_L	0.517	0.75
44_L	76_L	0.515	0.74
60_G	92_T	0.512	0.74
24_V	93_G	0.507	0.73
57_T	89_F	0.502	0.73
36_P	39_E	0.501	0.72
54_M	93_G	0.500	0.72
19_A	106_G	0.500	0.72

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
4xs5A	1	0.9725	99.9	0.334	Contact Map
3zxnA	1	0.9817	99.9	0.336	Contact Map
1th8B	1	0.9908	99.9	0.336	Contact Map
1sboA	1	0.9817	99.9	0.353	Contact Map
4qtpA	2	0.9908	99.9	0.363	Contact Map
3t6oA	5	1	99.8	0.377	Contact Map
1h4xA	1	0.9725	99.8	0.378	Contact Map
3ny7A	1	0.9908	99.8	0.385	Contact Map
4hylA	2	0.9817	99.8	0.388	Contact Map
2ka5A	1	1	99.8	0.388	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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