==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAR-11 3RBK . COMPND 2 MOLECULE: SORTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE SEROGROUP V; . AUTHOR B.KHARE,S.V.L.NARAYANA . 377 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 4 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 . 2 0.5 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 . 29 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 0 2 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 . 3 2 3 0 2 2 0 2 2 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 6 A I > 0 0 129 0, 0.0 4,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-120.4 -2.6 32.7 -70.4 2 7 A N H > + 0 0 48 2,-0.2 4,-2.2 1,-0.2 5,-0.4 0.721 360.0 74.1 -92.7 -26.4 -3.8 35.6 -72.6 3 8 A A H > S+ 0 0 45 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.720 99.8 49.6 -59.3 -20.6 -5.8 33.4 -75.1 4 9 A F H > S+ 0 0 2 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.955 107.6 47.3 -82.5 -60.2 -8.3 33.0 -72.3 5 10 A K H X S+ 0 0 104 -4,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.905 122.5 37.9 -47.7 -49.3 -8.9 36.6 -71.2 6 11 A E H X S+ 0 0 119 -4,-2.2 4,-1.8 2,-0.2 3,-0.5 0.987 113.3 52.6 -67.6 -61.5 -9.3 37.7 -74.8 7 12 A A H < S+ 0 0 19 -4,-1.1 4,-0.3 -5,-0.4 -1,-0.2 0.811 109.9 54.2 -44.4 -34.1 -11.2 34.6 -76.1 8 13 A V H >< S+ 0 0 22 -4,-2.7 3,-2.2 1,-0.2 -1,-0.3 0.945 101.5 54.6 -67.7 -50.0 -13.6 35.3 -73.3 9 14 A T H 3< S+ 0 0 107 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.842 101.9 61.4 -52.8 -35.7 -14.3 38.9 -74.2 10 15 A K T 3< S+ 0 0 175 -4,-1.8 -1,-0.3 2,-0.1 2,-0.3 0.656 89.0 88.8 -66.8 -16.4 -15.2 37.6 -77.7 11 16 A I S < S- 0 0 40 -3,-2.2 2,-0.2 -4,-0.3 -3,-0.0 -0.629 84.9-110.9 -90.3 143.7 -18.1 35.5 -76.2 12 17 A D >> - 0 0 105 -2,-0.3 4,-2.6 1,-0.1 3,-0.5 -0.513 19.6-124.5 -76.0 135.3 -21.6 36.9 -75.8 13 18 A R H 3> S+ 0 0 62 1,-0.2 4,-3.0 -2,-0.2 5,-0.2 0.766 111.8 53.9 -44.3 -36.0 -22.9 37.5 -72.2 14 19 A V H 3> S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.935 108.9 47.2 -69.8 -45.7 -25.9 35.3 -72.9 15 20 A E H <> S+ 0 0 72 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.955 112.2 52.2 -58.2 -50.3 -23.8 32.5 -74.1 16 21 A I H X S+ 0 0 23 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.940 110.5 45.7 -48.3 -56.5 -21.7 33.0 -71.0 17 22 A N H X S+ 0 0 100 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.851 109.9 55.5 -65.1 -28.1 -24.6 32.8 -68.6 18 23 A R H X S+ 0 0 126 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.964 112.2 43.4 -64.4 -47.4 -26.0 29.8 -70.5 19 24 A R H X S+ 0 0 38 -4,-2.8 4,-1.8 2,-0.2 3,-0.3 0.907 111.7 52.4 -64.6 -44.0 -22.7 28.1 -69.8 20 25 A L H X S+ 0 0 10 -4,-3.1 4,-2.9 1,-0.2 3,-0.3 0.941 106.2 55.4 -59.1 -43.7 -22.4 29.2 -66.2 21 26 A E H X S+ 0 0 122 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.869 104.0 53.7 -57.5 -34.3 -25.9 27.9 -65.5 22 27 A L H X S+ 0 0 81 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.889 109.7 48.4 -68.9 -37.1 -24.8 24.5 -66.8 23 28 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 -3,-0.3 74,-0.2 0.948 108.4 52.6 -64.3 -51.8 -21.9 24.5 -64.4 24 29 A Y H X S+ 0 0 89 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.893 109.6 50.5 -51.2 -41.8 -24.1 25.5 -61.4 25 30 A A H X S+ 0 0 59 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.907 109.9 49.9 -63.8 -44.2 -26.4 22.6 -62.3 26 31 A Y H X S+ 0 0 53 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.955 113.1 46.9 -53.9 -51.8 -23.4 20.3 -62.4 27 32 A N H X S+ 0 0 5 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.893 108.9 52.8 -61.1 -42.1 -22.3 21.6 -59.0 28 33 A A H X S+ 0 0 66 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.853 108.5 54.3 -62.7 -32.6 -25.8 21.3 -57.5 29 34 A S H >X S+ 0 0 85 -4,-1.9 3,-1.0 2,-0.2 4,-0.7 0.990 109.4 44.0 -64.7 -63.4 -25.7 17.7 -58.7 30 35 A I H >< S+ 0 0 26 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.892 110.5 56.6 -44.3 -49.9 -22.4 16.9 -56.9 31 36 A A H 3< S+ 0 0 16 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.858 103.3 59.0 -50.5 -36.8 -23.6 18.7 -53.8 32 37 A G H << S+ 0 0 56 -4,-1.4 -1,-0.2 -3,-1.0 -2,-0.2 0.686 76.9 119.4 -71.4 -24.8 -26.6 16.4 -53.8 33 38 A A << 0 0 51 -3,-1.1 -3,-0.0 -4,-0.7 -4,-0.0 0.192 360.0 360.0 -54.1 163.7 -25.0 12.9 -53.5 34 39 A K 0 0 234 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.714 360.0 360.0 70.5 360.0 -25.6 10.3 -50.6 35 ! 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 36 44 A Y 0 0 80 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 122.4 -20.4 10.7 -51.8 37 45 A P - 0 0 35 0, 0.0 2,-1.1 0, 0.0 57,-0.0 -0.129 360.0-107.4 -48.4 144.9 -18.6 10.8 -55.2 38 46 A A - 0 0 86 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.707 44.6-160.4 -76.2 103.1 -16.1 8.0 -55.9 39 47 A L - 0 0 20 -2,-1.1 2,-0.4 55,-0.1 55,-0.1 -0.722 5.3-160.9 -95.4 146.4 -12.9 10.1 -55.7 40 48 A K - 0 0 114 53,-0.4 53,-0.1 -2,-0.3 -2,-0.0 -0.994 29.2 -96.1-139.4 126.5 -9.7 8.9 -57.3 41 49 A D - 0 0 68 -2,-0.4 3,-0.2 1,-0.2 113,-0.0 -0.072 27.8-149.9 -41.1 121.4 -6.0 9.7 -56.8 42 50 A P S S+ 0 0 14 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 0.693 83.2 79.7 -68.4 -18.7 -5.1 12.3 -59.5 43 51 A Y S S+ 0 0 62 2,-0.1 2,-0.3 38,-0.0 -2,-0.1 -0.353 84.2 64.5 -94.0 53.9 -1.5 10.9 -59.6 44 52 A S S S- 0 0 74 -2,-1.0 2,-0.5 -3,-0.2 36,-0.1 -0.972 80.4-110.6-165.9 149.1 -2.0 7.8 -61.8 45 53 A A + 0 0 111 -2,-0.3 -2,-0.1 1,-0.1 36,-0.0 -0.833 49.9 146.1 -88.4 128.5 -3.0 6.7 -65.3 46 54 A E 0 0 125 -2,-0.5 -1,-0.1 0, 0.0 0, 0.0 0.309 360.0 360.0-145.6 7.7 -6.5 5.0 -65.0 47 55 A Q 0 0 156 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.257 360.0 360.0 -32.7 360.0 -8.4 5.8 -68.3 48 ! 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 49 60 A V 0 0 146 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 163.7 -10.1 13.5 -73.5 50 61 A V + 0 0 55 28,-0.1 28,-0.1 1,-0.1 3,-0.0 -0.912 360.0 174.8-114.1 138.5 -12.4 14.7 -70.7 51 62 A E > + 0 0 115 -2,-0.4 3,-2.1 1,-0.1 4,-0.2 0.466 49.8 101.9-125.8 -3.8 -15.7 16.4 -71.4 52 63 A Y T 3 S+ 0 0 29 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.836 94.1 39.6 -50.7 -39.0 -17.5 16.9 -68.0 53 64 A A T >> S+ 0 0 0 1,-0.2 3,-1.0 2,-0.1 4,-0.8 -0.068 75.6 126.2-106.3 33.2 -16.5 20.5 -67.9 54 65 A R G X4 + 0 0 163 -3,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.863 67.1 62.4 -55.0 -41.1 -17.0 21.3 -71.5 55 66 A M G 34 S+ 0 0 28 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.771 107.6 42.1 -61.0 -30.6 -19.3 24.2 -70.7 56 67 A L G <4 S+ 0 0 0 -3,-1.0 2,-0.3 -37,-0.1 -1,-0.3 0.585 90.5 113.6 -88.9 -11.8 -16.4 26.1 -68.9 57 68 A E << + 0 0 57 -3,-1.1 2,-0.4 -4,-0.8 5,-0.3 -0.426 36.0 170.4 -73.9 122.3 -13.8 25.2 -71.5 58 69 A V B > S-A 61 0A 8 3,-3.4 3,-1.2 -2,-0.3 5,-0.2 -0.961 76.3 -18.8-136.2 116.7 -12.5 28.1 -73.5 59 70 A K T 3 S- 0 0 168 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.902 129.4 -51.6 43.2 52.1 -9.6 27.5 -75.7 60 71 A E T 3 S+ 0 0 126 1,-0.2 18,-0.4 -6,-0.1 -1,-0.2 -0.052 124.0 85.6 87.2 -28.8 -8.8 24.2 -73.8 61 72 A Q B < -A 58 0A 8 -3,-1.2 -3,-3.4 16,-0.1 -1,-0.2 -0.447 61.0-151.9 -97.5 173.1 -8.8 25.8 -70.3 62 73 A I - 0 0 1 14,-1.6 75,-0.3 1,-0.3 2,-0.3 0.220 68.9 -48.9-128.3 9.4 -11.7 26.4 -67.8 63 74 A G E -B 76 0B 0 13,-0.5 13,-1.6 73,-0.2 -1,-0.3 -0.974 60.2 -85.5 152.9-164.2 -10.2 29.4 -66.0 64 75 A H E -BC 75 135B 6 71,-2.4 71,-2.6 -2,-0.3 2,-0.6 -0.999 19.1-142.3-146.2 141.3 -7.1 30.7 -64.2 65 76 A V E -BC 74 134B 0 9,-3.2 9,-2.4 -2,-0.3 2,-0.5 -0.905 18.9-169.3-108.5 113.5 -5.8 30.4 -60.6 66 77 A I E +BC 73 133B 34 67,-2.6 67,-2.2 -2,-0.6 7,-0.2 -0.867 10.0 177.7-105.1 132.3 -4.1 33.6 -59.3 67 78 A I E > > -B 72 0B 1 5,-2.7 5,-1.5 -2,-0.5 3,-0.9 -0.848 8.4-170.9-133.2 93.2 -2.1 33.5 -56.0 68 79 A P G > 5S+ 0 0 69 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.914 81.0 65.2 -54.0 -44.1 -0.5 36.9 -55.3 69 80 A R G 3 5S+ 0 0 134 62,-0.4 63,-0.1 1,-0.3 -2,-0.0 0.820 117.9 26.2 -47.1 -39.8 1.7 35.5 -52.3 70 81 A I G < 5S- 0 0 16 -3,-0.9 -1,-0.3 2,-0.1 52,-0.1 0.151 107.9-119.6-113.1 18.8 3.7 33.3 -54.7 71 82 A N T < 5 + 0 0 145 -3,-2.2 2,-0.4 -4,-0.3 -2,-0.1 0.900 61.2 150.2 47.1 56.2 3.2 35.5 -57.9 72 83 A Q E < +B 67 0B 40 -5,-1.5 -5,-2.7 46,-0.1 2,-0.3 -0.956 28.6 173.6-122.4 138.1 1.4 32.6 -59.8 73 84 A D E +B 66 0B 84 -2,-0.4 -7,-0.2 -7,-0.2 46,-0.0 -0.817 22.1 175.2-143.2 99.6 -1.2 32.9 -62.4 74 85 A I E -B 65 0B 7 -9,-2.4 -9,-3.2 -2,-0.3 14,-0.1 -0.906 29.8-120.6-126.2 130.4 -1.8 29.4 -63.8 75 86 A P E -B 64 0B 18 0, 0.0 14,-2.1 0, 0.0 2,-0.4 -0.175 27.2-136.8 -57.8 157.1 -4.3 28.1 -66.3 76 87 A I E -Bd 63 89B 0 -13,-1.6 -14,-1.6 12,-0.2 -13,-0.5 -0.945 17.8-168.9-120.8 140.1 -6.7 25.4 -65.1 77 88 A Y E - d 0 90B 16 12,-2.0 14,-3.0 -2,-0.4 -16,-0.1 -0.980 27.4-107.2-128.3 146.3 -7.6 22.3 -67.0 78 89 A A S S+ 0 0 4 -18,-0.4 3,-0.4 -2,-0.4 -28,-0.1 -0.294 84.8 12.0 -66.7 154.2 -10.3 19.7 -66.5 79 90 A G S S- 0 0 7 1,-0.2 12,-0.6 11,-0.1 -2,-0.2 0.088 86.3 -96.6 66.0 176.0 -9.2 16.3 -65.2 80 91 A S + 0 0 28 10,-0.2 -36,-0.2 -36,-0.1 -1,-0.2 -0.169 60.9 150.4-124.3 42.0 -5.8 15.5 -63.9 81 92 A A >> - 0 0 55 -3,-0.4 3,-1.8 1,-0.1 4,-1.6 -0.438 58.1-116.0 -74.2 149.8 -4.0 14.0 -66.9 82 93 A E H 3> S+ 0 0 98 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.745 113.5 66.8 -60.8 -24.1 -0.2 14.4 -67.1 83 94 A E H 34 S+ 0 0 136 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.872 107.9 37.4 -53.1 -44.9 -0.8 16.4 -70.2 84 95 A N H <> S+ 0 0 28 -3,-1.8 4,-1.9 1,-0.2 3,-0.4 0.743 110.0 59.4 -89.5 -26.9 -2.5 19.1 -68.2 85 96 A L H < S+ 0 0 1 -4,-1.6 26,-0.3 1,-0.2 -1,-0.2 0.579 100.3 60.0 -82.3 -7.5 -0.2 18.8 -65.2 86 97 A Q T < S+ 0 0 77 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.773 116.4 30.3 -84.0 -28.6 2.7 19.7 -67.5 87 98 A R T 4 S- 0 0 117 -4,-0.4 2,-0.3 -3,-0.4 -2,-0.2 0.611 127.3 -47.6-107.8 -18.0 1.1 23.0 -68.4 88 99 A G S < S- 0 0 0 -4,-1.9 23,-0.3 -14,-0.1 2,-0.2 -0.947 81.3 -23.3 179.2-156.2 -0.9 24.0 -65.3 89 100 A V E -d 76 0B 0 -14,-2.1 -12,-2.0 -2,-0.3 2,-0.4 -0.592 51.5-149.5 -81.5 145.5 -3.3 23.1 -62.6 90 101 A G E -dE 77 109B 0 19,-2.8 19,-2.8 -2,-0.2 2,-0.3 -0.907 11.7-126.3-118.0 144.4 -5.7 20.3 -63.2 91 102 A H E - 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