==== 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 3RBI . COMPND 2 MOLECULE: SORTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE SEROGROUP V; . AUTHOR B.KHARE,S.V.L.NARAYANA . 387 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 24.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 5 1.3 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 . 3 0.8 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 . 27 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 16.3 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 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 4 3 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 . 1 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 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 2 A S 0 0 98 0, 0.0 116,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -91.3 54.4 -6.3 34.8 2 3 A H >> + 0 0 158 2,-0.1 3,-0.9 72,-0.1 4,-0.6 0.523 360.0 67.4 -87.1 -25.8 54.8 -5.9 38.6 3 4 A A H 3> S+ 0 0 69 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.744 90.8 55.1 -64.9 -32.5 57.0 -3.1 37.1 4 5 A N H 3> S+ 0 0 45 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.502 96.4 66.5 -84.8 -3.2 54.1 -1.1 35.8 5 6 A I H <> S+ 0 0 15 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.755 101.9 48.1 -74.4 -30.5 52.5 -1.0 39.3 6 7 A N H X S+ 0 0 97 -4,-0.6 4,-2.3 -3,-0.3 5,-0.4 0.875 101.5 61.8 -76.1 -41.2 55.5 1.1 40.4 7 8 A A H X S+ 0 0 41 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.851 109.4 47.2 -46.8 -37.6 55.0 3.4 37.4 8 9 A F H X S+ 0 0 2 -4,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.997 110.3 45.9 -64.6 -72.3 51.6 4.0 39.1 9 10 A K H X S+ 0 0 97 -4,-2.0 4,-1.0 1,-0.2 3,-0.2 0.863 119.8 41.5 -42.1 -54.3 52.6 4.6 42.8 10 11 A E H >X S+ 0 0 62 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.922 112.6 51.4 -62.8 -51.1 55.4 7.0 41.8 11 12 A A H >< S+ 0 0 19 -4,-1.4 3,-0.6 -5,-0.4 4,-0.3 0.777 102.6 64.5 -60.8 -27.6 53.6 8.9 39.0 12 13 A V H >< S+ 0 0 20 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.908 97.2 51.9 -61.2 -46.1 50.7 9.5 41.4 13 14 A T H << S+ 0 0 121 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.553 99.0 65.2 -78.6 -6.0 52.6 11.7 43.8 14 15 A K T << S+ 0 0 188 -3,-0.6 2,-0.5 -4,-0.5 -1,-0.3 0.529 87.5 83.9 -81.4 -11.6 53.8 13.9 41.0 15 16 A I S < S- 0 0 31 -3,-1.9 2,-0.1 -4,-0.3 -3,-0.0 -0.820 87.8-123.8 -91.5 130.9 50.1 14.9 40.6 16 17 A D >> - 0 0 99 -2,-0.5 4,-1.8 1,-0.1 3,-0.8 -0.386 19.3-104.3 -85.0 154.8 49.2 17.6 43.0 17 18 A R H 3> S+ 0 0 171 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.777 116.9 50.8 -41.7 -45.2 46.5 17.6 45.6 18 19 A V H 3> S+ 0 0 90 2,-0.2 4,-2.1 3,-0.1 -1,-0.3 0.939 110.9 46.4 -63.4 -45.7 44.1 19.9 43.7 19 20 A E H <> S+ 0 0 63 -3,-0.8 4,-2.1 2,-0.2 3,-0.4 0.982 111.1 51.8 -67.0 -56.7 44.2 17.9 40.4 20 21 A I H X S+ 0 0 25 -4,-1.8 4,-2.3 1,-0.2 3,-0.2 0.900 109.6 51.7 -34.6 -61.4 43.8 14.6 42.1 21 22 A N H X S+ 0 0 57 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.879 106.3 52.6 -47.5 -47.1 40.7 16.0 43.9 22 23 A R H X S+ 0 0 120 -4,-2.1 4,-1.5 -3,-0.4 -1,-0.2 0.909 111.5 46.7 -58.0 -44.4 39.1 17.3 40.7 23 24 A R H X S+ 0 0 29 -4,-2.1 4,-1.8 -3,-0.2 -1,-0.2 0.896 109.7 53.9 -65.0 -41.4 39.4 13.8 39.1 24 25 A L H X S+ 0 0 15 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.896 104.5 55.1 -59.9 -41.8 38.0 12.2 42.2 25 26 A E H X S+ 0 0 113 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.895 105.4 52.7 -58.7 -41.7 35.0 14.4 42.0 26 27 A L H X S+ 0 0 91 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.897 109.6 48.7 -61.3 -41.7 34.3 13.2 38.5 27 28 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 70,-0.3 0.898 110.0 51.8 -65.2 -41.7 34.5 9.6 39.6 28 29 A Y H X S+ 0 0 98 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.929 110.1 48.0 -60.6 -47.2 32.1 10.3 42.5 29 30 A A H X S+ 0 0 61 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.883 109.5 53.8 -61.1 -39.5 29.6 11.9 40.2 30 31 A Y H X S+ 0 0 61 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.918 111.3 45.9 -60.0 -43.8 29.9 9.0 37.8 31 32 A N H X S+ 0 0 8 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.901 108.9 54.5 -67.6 -42.1 29.1 6.6 40.7 32 33 A A H X S+ 0 0 62 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.905 106.0 54.6 -56.6 -42.2 26.2 8.8 41.9 33 34 A S H X S+ 0 0 89 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.958 111.1 43.3 -55.7 -52.8 24.8 8.5 38.4 34 35 A I H >< S+ 0 0 26 -4,-1.8 3,-1.4 2,-0.2 -2,-0.2 0.941 109.2 57.8 -63.8 -47.0 24.9 4.7 38.5 35 36 A A H 3< S+ 0 0 20 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.939 110.6 43.8 -38.9 -67.0 23.5 4.6 42.1 36 37 A G H 3< S+ 0 0 51 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.490 91.9 119.1 -63.0 -10.1 20.4 6.5 40.9 37 38 A A << 0 0 43 -3,-1.4 -3,-0.1 -4,-0.7 -4,-0.0 -0.101 360.0 360.0 -63.1 160.5 19.9 4.4 37.7 38 39 A K 0 0 185 2,-0.0 -1,-0.1 3,-0.0 -4,-0.0 0.250 360.0 360.0-157.8 360.0 16.9 2.3 36.8 39 ! 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 40 44 A Y 0 0 174 0, 0.0 -2,-0.0 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 141.4 19.3 -0.9 34.8 41 45 A P - 0 0 70 0, 0.0 54,-0.1 0, 0.0 -7,-0.0 0.739 360.0-134.2 -53.0 -28.3 22.5 -0.6 32.6 42 46 A A - 0 0 76 1,-0.1 2,-0.7 52,-0.1 0, 0.0 0.819 19.0-128.1 61.1 114.0 22.5 -4.3 31.6 43 47 A L - 0 0 8 51,-0.1 2,-1.4 1,-0.0 -1,-0.1 -0.801 3.9-135.5-106.7 110.7 26.0 -5.6 32.0 44 48 A K - 0 0 86 -2,-0.7 49,-0.1 49,-0.2 -1,-0.0 -0.467 32.0-121.3 -64.0 90.6 27.8 -7.4 29.1 45 49 A D - 0 0 42 -2,-1.4 -1,-0.1 1,-0.2 111,-0.0 -0.110 25.6-122.5 -29.2 120.7 29.4 -10.4 31.0 46 50 A P 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.467 360.0 360.0 -65.6 -5.6 33.0 -9.7 30.0 47 51 A Y 0 0 93 106,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.628 360.0 360.0-119.6 360.0 33.3 -13.2 28.5 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 0 191 0, 0.0 2,-0.6 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0-132.7 39.5 2.7 23.2 50 61 A V + 0 0 46 1,-0.1 3,-0.2 28,-0.1 28,-0.1 -0.954 360.0 165.1-110.9 116.7 37.5 2.8 26.4 51 62 A E > + 0 0 152 -2,-0.6 3,-2.0 1,-0.1 4,-0.2 0.555 42.9 106.2-106.2 -14.6 37.5 6.3 27.9 52 63 A Y T 3 S+ 0 0 37 1,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.636 89.2 38.9 -46.4 -23.7 34.7 6.0 30.4 53 64 A A T >> S+ 0 0 0 -3,-0.2 3,-0.7 1,-0.1 4,-0.5 -0.183 72.9 126.8-122.0 40.7 37.2 6.1 33.3 54 65 A R G X4 + 0 0 54 -3,-2.0 3,-2.0 1,-0.2 -1,-0.1 0.916 64.8 66.1 -68.1 -42.1 39.8 8.6 32.2 55 66 A M G 34 S+ 0 0 24 1,-0.3 -1,-0.2 -4,-0.2 -32,-0.1 0.793 109.0 41.6 -49.4 -29.1 39.7 10.7 35.3 56 67 A L G <4 S+ 0 0 0 -3,-0.7 -1,-0.3 -33,-0.1 2,-0.3 0.542 89.8 109.4 -92.6 -15.0 41.2 7.7 37.2 57 68 A E << + 0 0 57 -3,-2.0 2,-0.3 -4,-0.5 5,-0.2 -0.539 35.2 167.5 -75.9 128.9 43.7 6.7 34.5 58 69 A V B > S-A 61 0A 13 3,-2.6 3,-1.0 -2,-0.3 5,-0.1 -0.953 79.6 -7.7-138.1 120.6 47.4 7.3 35.4 59 70 A K T 3 S- 0 0 148 -2,-0.3 3,-0.1 1,-0.2 -51,-0.1 0.940 130.7 -60.3 50.7 48.3 50.0 5.6 33.1 60 71 A E T 3 S+ 0 0 61 1,-0.2 2,-0.3 -6,-0.1 -1,-0.2 0.664 119.5 100.9 53.2 25.8 47.0 3.8 31.5 61 72 A Q B < -A 58 0A 2 -3,-1.0 -3,-2.6 16,-0.1 16,-0.2 -0.925 60.5-151.8-129.5 158.3 45.9 2.1 34.8 62 73 A I - 0 0 0 14,-3.0 75,-0.4 1,-0.4 2,-0.3 0.419 68.5 -60.5-111.0 0.5 43.1 2.9 37.2 63 74 A G E -B 76 0B 0 13,-0.8 13,-2.5 73,-0.2 -1,-0.4 -0.959 55.2 -95.3 158.0-164.4 44.7 1.5 40.3 64 75 A H E -BC 75 135B 7 71,-2.0 71,-2.5 -2,-0.3 2,-0.4 -0.961 22.2-138.3-137.2 160.8 46.0 -1.8 41.6 65 76 A V E -BC 74 134B 0 9,-3.0 9,-1.9 -2,-0.3 2,-0.5 -0.981 10.8-158.7-120.6 135.2 44.4 -4.5 43.7 66 77 A I E +BC 73 133B 34 67,-2.8 67,-1.9 -2,-0.4 7,-0.2 -0.921 10.0 179.7-113.1 126.0 46.2 -6.4 46.5 67 78 A I E > -B 72 0B 3 5,-2.3 5,-2.4 -2,-0.5 3,-0.2 -0.944 6.6-170.1-123.6 109.9 45.0 -9.8 47.7 68 79 A P T > 5S+ 0 0 59 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.863 78.6 63.4 -67.3 -38.2 47.2 -11.1 50.5 69 80 A R T 3 5S+ 0 0 124 62,-0.4 63,-0.1 1,-0.3 -2,-0.0 0.855 117.3 30.1 -59.4 -38.5 45.8 -14.6 50.7 70 81 A I T 3 5S- 0 0 10 -3,-0.2 -1,-0.3 2,-0.1 52,-0.1 0.203 109.0-121.9-105.5 13.2 47.0 -15.3 47.2 71 82 A N T < 5 + 0 0 141 -3,-1.4 2,-0.4 1,-0.2 -2,-0.1 0.917 59.6 145.4 52.5 52.1 49.9 -13.0 47.2 72 83 A Q E < +B 67 0B 37 -5,-2.4 -5,-2.3 2,-0.0 2,-0.3 -0.944 32.4 176.8-122.4 148.7 48.8 -10.9 44.3 73 84 A D E +B 66 0B 63 -2,-0.4 -7,-0.2 -7,-0.2 -68,-0.1 -0.839 24.2 170.7-140.2 107.7 49.2 -7.2 43.5 74 85 A I E -B 65 0B 9 -9,-1.9 -9,-3.0 -2,-0.3 14,-0.1 -0.954 31.8-120.9-124.7 132.5 47.8 -6.7 40.1 75 86 A P E -B 64 0B 2 0, 0.0 14,-1.9 0, 0.0 2,-0.4 -0.319 26.3-131.6 -67.6 162.8 47.1 -3.4 38.3 76 87 A I E -Bd 63 89B 0 -13,-2.5 -14,-3.0 12,-0.2 -13,-0.8 -0.966 18.7-165.0-118.6 132.5 43.5 -2.7 37.2 77 88 A Y E - d 0 90B 5 12,-3.3 14,-1.5 -2,-0.4 -16,-0.1 -0.918 27.4-108.0-113.5 143.6 42.6 -1.5 33.7 78 89 A A E S+ d 0 91B 3 -2,-0.3 3,-0.3 12,-0.2 -28,-0.1 -0.356 84.0 22.5 -61.9 147.9 39.3 0.1 32.5 79 90 A G B S-E 91 0B 4 12,-0.7 12,-0.6 1,-0.2 -2,-0.2 0.203 85.0 -98.4 77.5 160.5 37.2 -2.2 30.3 80 91 A S + 0 0 26 10,-0.2 -1,-0.2 28,-0.0 10,-0.1 -0.060 64.6 165.9-104.8 32.9 37.1 -6.0 29.9 81 92 A A > - 0 0 33 -3,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.101 44.4-119.1 -64.3 149.4 39.3 -5.6 26.8 82 93 A E T 4 S+ 0 0 161 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.800 108.0 36.0 -63.9 -40.0 41.0 -8.6 25.3 83 94 A E T >4 S+ 0 0 70 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.647 111.2 62.0 -90.4 -19.7 44.7 -7.6 25.6 84 95 A N G >> S+ 0 0 32 -3,-0.4 4,-2.1 1,-0.2 3,-0.9 0.839 93.8 61.8 -74.4 -36.0 44.2 -5.8 28.9 85 96 A L G 3< S+ 0 0 5 -4,-1.8 26,-0.5 1,-0.2 -1,-0.2 0.496 98.5 60.6 -66.6 -2.1 43.1 -9.0 30.6 86 97 A Q G <4 S+ 0 0 107 -3,-0.6 -1,-0.2 24,-0.1 -2,-0.2 0.751 110.6 37.8 -91.4 -29.6 46.6 -10.4 29.7 87 98 A R T <4 S- 0 0 127 -3,-0.9 -2,-0.2 -4,-0.5 2,-0.2 0.740 128.9 -57.9 -90.7 -30.6 48.4 -7.7 31.7 88 99 A G S < S- 0 0 0 -4,-2.1 2,-0.4 -14,-0.1 23,-0.3 -0.670 79.7 -14.2-172.2-134.2 46.0 -7.5 34.6 89 100 A V E -d 76 0B 0 -14,-1.9 -12,-3.3 -2,-0.2 2,-0.3 -0.838 47.7-149.6-110.6 138.4 42.5 -7.0 36.0 90 101 A G E -dF 77 109B 0 19,-2.8 19,-2.1 -2,-0.4 2,-0.5 -0.821 10.3-132.0-112.0 150.1 39.7 -5.4 34.0 91 102 A H E -dF 78 108B 0 -14,-1.5 2,-0.8 -12,-0.6 -12,-0.7 -0.856 22.6-122.1-104.7 130.0 36.8 -3.4 35.3 92 103 A L > - 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