==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-AUG-11 3TB7 . COMPND 2 MOLECULE: SORTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE SEROGROUP V; . AUTHOR B.KHARE . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 1 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 5 A N 0 0 109 0, 0.0 4,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.2 16.1 -1.1 16.8 2 6 A I > + 0 0 31 2,-0.2 4,-0.6 1,-0.2 58,-0.1 0.666 360.0 40.7 -66.8 -19.9 19.8 -1.9 17.4 3 7 A N H > S+ 0 0 130 2,-0.2 4,-4.4 3,-0.2 5,-0.4 0.816 106.4 60.0 -88.3 -44.5 18.5 -0.6 20.8 4 8 A A H 4 S+ 0 0 65 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.395 113.7 40.8 -68.4 1.4 15.2 -2.5 20.6 5 9 A F H > S+ 0 0 10 -4,-0.2 4,-1.1 2,-0.1 -1,-0.2 0.607 114.4 49.8-108.9 -39.0 17.3 -5.6 20.4 6 10 A K H X S+ 0 0 28 -4,-0.6 4,-2.2 2,-0.2 3,-0.4 0.930 116.5 43.9 -61.9 -44.6 19.9 -4.5 22.9 7 11 A E H X S+ 0 0 58 -4,-4.4 4,-2.2 1,-0.2 -1,-0.2 0.879 112.3 52.2 -66.1 -41.0 17.0 -3.7 25.2 8 12 A A H 4 S+ 0 0 52 -5,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.692 111.6 48.4 -69.3 -17.5 15.2 -7.0 24.4 9 13 A V H >< S+ 0 0 26 -4,-1.1 3,-1.6 -3,-0.4 -2,-0.2 0.920 111.8 44.4 -88.4 -55.7 18.5 -8.9 25.2 10 14 A T H 3< S+ 0 0 117 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.953 108.5 62.3 -45.8 -53.9 19.3 -7.3 28.6 11 15 A K T 3< S+ 0 0 76 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 0.578 95.8 75.7 -54.0 -10.4 15.5 -7.8 29.3 12 16 A I S < S- 0 0 74 -3,-1.6 5,-0.1 121,-0.1 -4,-0.0 -0.888 91.8 -98.7-115.8 138.4 15.9 -11.6 29.0 13 17 A D >> - 0 0 107 -2,-0.4 4,-2.6 1,-0.1 3,-1.1 -0.124 21.2-124.8 -57.6 136.5 17.5 -14.0 31.6 14 18 A R H 3> S+ 0 0 178 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.865 114.7 57.0 -36.9 -43.9 21.0 -15.2 31.3 15 19 A V H 3> S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.869 108.0 44.6 -64.0 -39.3 19.5 -18.7 31.5 16 20 A E H <> S+ 0 0 53 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.832 111.7 53.1 -73.8 -37.8 17.3 -18.1 28.5 17 21 A I H X S+ 0 0 16 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.922 111.4 47.5 -61.0 -43.5 20.2 -16.5 26.6 18 22 A N H X S+ 0 0 52 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.814 110.2 50.5 -68.5 -32.1 22.2 -19.5 27.3 19 23 A R H X S+ 0 0 111 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.896 116.4 42.2 -76.1 -42.0 19.5 -21.9 26.2 20 24 A R H X S+ 0 0 43 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.850 115.8 48.7 -68.2 -40.7 19.1 -20.1 23.0 21 25 A L H X S+ 0 0 14 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.923 113.2 47.7 -65.9 -41.0 22.8 -19.7 22.5 22 26 A E H X S+ 0 0 82 -4,-2.5 4,-2.9 2,-0.3 -2,-0.2 0.814 110.2 50.6 -70.0 -33.2 23.3 -23.3 23.2 23 27 A L H X S+ 0 0 27 -4,-1.6 4,-2.6 2,-0.2 -1,-0.3 0.892 112.4 50.2 -67.7 -36.9 20.4 -24.1 20.8 24 28 A A H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 69,-0.4 0.941 112.2 45.5 -63.2 -43.9 22.5 -21.8 18.5 25 29 A Y H X S+ 0 0 68 -4,-3.1 4,-3.2 2,-0.2 -2,-0.2 0.891 115.1 46.2 -69.7 -40.4 25.6 -23.7 19.2 26 30 A A H X S+ 0 0 1 -4,-2.9 4,-2.7 2,-0.3 -1,-0.2 0.855 110.7 53.5 -68.6 -36.6 23.9 -27.1 18.8 27 31 A Y H X S+ 0 0 4 -4,-2.6 4,-2.1 17,-0.2 -2,-0.2 0.928 112.4 45.5 -59.6 -43.9 22.4 -25.7 15.7 28 32 A N H X S+ 0 0 4 -4,-2.6 4,-4.5 2,-0.2 -2,-0.3 0.890 108.3 54.8 -65.4 -44.2 25.9 -24.8 14.7 29 33 A A H X S+ 0 0 20 -4,-3.2 4,-3.1 2,-0.2 -1,-0.2 0.942 111.5 45.1 -54.9 -45.5 27.3 -28.2 15.7 30 34 A S H < S+ 0 0 30 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.876 115.1 48.4 -71.4 -32.8 24.7 -29.8 13.4 31 35 A I H < S+ 0 0 42 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.963 113.6 47.0 -60.4 -50.6 25.6 -27.3 10.8 32 36 A A H < 0 0 18 -4,-4.5 -2,-0.2 67,-0.1 -3,-0.2 0.780 360.0 360.0 -69.0 -30.1 29.2 -28.1 11.4 33 37 A G < 0 0 87 -4,-3.1 124,-0.1 -5,-0.2 -3,-0.0 -0.122 360.0 360.0 -98.9 360.0 28.6 -31.9 11.3 34 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 35 50 A P 0 0 163 0, 0.0 2,-0.4 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0 -48.0 29.9 -32.1 22.0 36 51 A Y - 0 0 44 -11,-0.1 2,-0.0 -10,-0.1 0, 0.0 -0.951 360.0-126.3-111.4 135.8 26.2 -31.8 21.1 37 52 A S >> - 0 0 56 -2,-0.4 4,-3.4 1,-0.1 3,-0.6 -0.283 28.5-107.1 -70.0 157.4 23.9 -34.7 21.0 38 53 A A H 3> S+ 0 0 75 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.926 121.8 54.2 -48.8 -45.6 21.8 -35.4 17.9 39 54 A E H 3> S+ 0 0 167 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.786 112.0 40.7 -63.9 -31.9 18.8 -34.3 20.0 40 55 A Q H <> S+ 0 0 86 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.862 114.6 53.2 -84.9 -39.3 20.3 -30.9 20.9 41 56 A K H X S+ 0 0 63 -4,-3.4 4,-2.6 2,-0.2 -2,-0.2 0.971 114.4 42.7 -47.0 -57.4 21.7 -30.5 17.5 42 57 A Q H X S+ 0 0 109 -4,-3.8 4,-3.3 1,-0.3 -2,-0.2 0.879 112.9 50.7 -63.4 -42.4 18.1 -31.2 16.2 43 58 A A H X S+ 0 0 35 -4,-2.1 4,-2.6 2,-0.3 -1,-0.3 0.848 109.9 52.9 -60.1 -33.6 16.6 -28.9 18.9 44 59 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.3 0.905 109.6 47.2 -69.6 -40.7 19.2 -26.4 17.7 45 60 A V H X S+ 0 0 43 -4,-2.6 4,-3.0 2,-0.2 -2,-0.3 0.906 112.1 50.5 -63.2 -41.1 17.9 -27.0 14.2 46 61 A V H X S+ 0 0 84 -4,-3.3 4,-3.3 2,-0.2 -2,-0.2 0.911 111.2 48.1 -63.6 -38.7 14.3 -26.6 15.6 47 62 A E H X S+ 0 0 11 -4,-2.6 4,-4.0 2,-0.2 5,-0.2 0.947 112.7 47.5 -71.4 -42.9 15.2 -23.4 17.3 48 63 A Y H X S+ 0 0 7 -4,-2.8 4,-4.2 2,-0.2 -2,-0.2 0.974 113.6 48.6 -57.5 -48.1 16.9 -22.0 14.2 49 64 A A H X S+ 0 0 47 -4,-3.0 4,-3.6 1,-0.3 -2,-0.2 0.920 112.7 47.8 -59.2 -44.1 13.9 -23.1 12.3 50 65 A R H X S+ 0 0 82 -4,-3.3 4,-2.2 2,-0.2 -1,-0.3 0.939 112.8 48.2 -59.6 -46.8 11.7 -21.5 14.8 51 66 A M H <>S+ 0 0 9 -4,-4.0 5,-3.0 1,-0.2 23,-0.3 0.905 113.9 49.4 -60.7 -39.9 13.9 -18.4 14.7 52 67 A L H ><5S+ 0 0 46 -4,-4.2 3,-1.8 -5,-0.2 -2,-0.2 0.955 107.7 52.3 -56.8 -51.9 13.5 -18.7 10.9 53 68 A E H 3<5S+ 0 0 79 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.846 118.2 36.8 -57.7 -36.5 9.8 -19.0 11.1 54 69 A V T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.363 106.4-125.9-103.2 5.1 9.4 -15.9 13.1 55 70 A K T < 5 - 0 0 76 -3,-1.8 -3,-0.2 -4,-0.2 -4,-0.1 0.878 41.4-161.7 51.3 41.9 12.2 -14.1 11.3 56 71 A E < - 0 0 36 -5,-3.0 18,-3.2 -6,-0.2 2,-0.4 -0.186 20.9-109.5 -59.3 140.1 13.7 -13.6 14.7 57 72 A Q E -A 73 0A 28 16,-0.3 16,-0.3 1,-0.2 -1,-0.1 -0.580 27.0-169.1 -69.6 122.7 16.3 -11.0 15.2 58 73 A I E - 0 0 10 14,-3.7 75,-0.7 -2,-0.4 2,-0.3 0.800 53.4 -92.5 -79.7 -31.4 19.6 -12.7 15.7 59 74 A G E -AB 72 132A 0 13,-1.9 13,-5.1 73,-0.2 2,-0.3 -0.959 52.1 -71.6 153.6-134.3 21.2 -9.5 16.7 60 75 A H E -AB 71 131A 3 71,-3.0 71,-4.1 11,-0.4 2,-0.6 -0.984 27.2-129.1-157.1 154.0 23.1 -7.1 14.6 61 76 A V E -AB 70 130A 0 9,-2.6 9,-2.5 -2,-0.3 2,-0.6 -0.954 17.6-153.0-111.6 125.1 26.3 -7.0 12.8 62 77 A I E -AB 69 129A 23 67,-3.4 67,-2.7 -2,-0.6 7,-0.2 -0.860 11.1-176.1 -97.2 122.1 28.4 -3.9 13.4 63 78 A I E > > -A 68 0A 0 5,-3.4 3,-2.0 -2,-0.6 5,-1.8 -0.779 4.2-171.5-116.7 88.6 30.7 -3.2 10.5 64 79 A P G > 5S+ 0 0 56 0, 0.0 3,-2.9 0, 0.0 -1,-0.2 0.889 79.7 65.0 -43.1 -48.6 32.8 -0.2 11.6 65 80 A R G 3 5S+ 0 0 125 62,-0.6 63,-0.1 1,-0.3 -3,-0.0 0.729 115.6 26.5 -50.0 -34.4 34.3 0.2 8.2 66 81 A I G < 5S- 0 0 4 -3,-2.0 -1,-0.3 2,-0.1 52,-0.1 0.031 107.9-116.8-125.1 18.8 31.0 1.1 6.6 67 82 A N T < 5 + 0 0 146 -3,-2.9 2,-0.5 -4,-0.3 -2,-0.1 0.832 64.0 151.5 51.1 39.4 29.4 2.5 9.7 68 83 A Q E < +A 63 0A 28 -5,-1.8 -5,-3.4 46,-0.1 2,-0.4 -0.889 28.1 173.5-107.4 132.4 26.8 -0.2 9.5 69 84 A D E +A 62 0A 68 -2,-0.5 -7,-0.2 -7,-0.2 -67,-0.1 -0.841 23.9 178.4-130.3 96.0 25.1 -1.5 12.5 70 85 A I E -A 61 0A 2 -9,-2.5 -9,-2.6 -2,-0.4 14,-0.1 -0.842 30.7-119.2-112.0 135.7 22.5 -3.8 11.0 71 86 A P E -A 60 0A 17 0, 0.0 14,-3.5 0, 0.0 2,-0.5 -0.462 27.1-142.3 -68.2 136.5 20.0 -6.0 12.7 72 87 A I E -Ac 59 85A 0 -13,-5.1 -14,-3.7 59,-0.2 -13,-1.9 -0.909 17.9-171.0-101.4 128.4 20.5 -9.6 11.9 73 88 A Y E -Ac 57 86A 8 12,-3.8 14,-4.4 -2,-0.5 2,-0.4 -0.876 32.0-102.4-113.9 150.4 17.4 -11.7 11.4 74 89 A A E S+ c 0 87A 0 -18,-3.2 3,-0.2 -2,-0.4 14,-0.1 -0.561 90.4 28.1 -66.8 123.7 17.3 -15.4 11.1 75 90 A G S S- 0 0 0 12,-1.5 12,-0.4 -2,-0.4 -2,-0.2 0.030 79.1-111.0 106.3 143.8 16.7 -16.4 7.5 76 91 A S + 0 0 35 10,-0.2 -1,-0.1 4,-0.1 10,-0.1 0.094 65.7 145.3 -90.6 17.7 17.6 -14.7 4.3 77 92 A A >> - 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