==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 22-MAY-10 3N4T . COMPND 2 MOLECULE: APH(2'')-ID; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS CASSELIFLAVUS; . AUTHOR C.A SMITH,M.TOTH,H.FRASE,S.B.VAKULENKO . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 1 0 0 1 2 0 0 0 2 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 1 A M 0 0 125 0, 0.0 49,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 103.9 16.7 11.3 -24.7 2 2 A R - 0 0 119 47,-2.9 2,-0.3 1,-0.0 48,-0.0 -0.473 360.0-168.6 -80.1 148.1 17.3 10.9 -28.4 3 3 A T - 0 0 103 -2,-0.1 2,-0.4 32,-0.0 -1,-0.0 -0.841 6.2-145.5-130.4 170.7 16.4 13.7 -30.9 4 4 A Y - 0 0 24 -2,-0.3 2,-0.1 43,-0.1 43,-0.0 -0.994 6.4-141.9-143.2 133.7 16.2 13.8 -34.7 5 5 A T > - 0 0 79 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.462 38.8-107.5 -78.6 164.9 16.8 16.4 -37.4 6 6 A F H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.882 121.6 55.7 -59.8 -36.0 14.5 16.4 -40.4 7 7 A D H > S+ 0 0 122 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.937 105.1 49.9 -63.0 -47.6 17.3 14.9 -42.5 8 8 A Q H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.938 110.3 52.1 -55.6 -46.4 17.8 11.9 -40.1 9 9 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.932 113.0 42.8 -54.0 -51.4 14.0 11.3 -40.3 10 10 A E H X S+ 0 0 70 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.916 113.9 52.0 -64.6 -43.6 14.0 11.2 -44.1 11 11 A K H X S+ 0 0 133 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.860 109.7 50.3 -58.0 -38.4 17.2 9.2 -44.2 12 12 A A H X S+ 0 0 30 -4,-2.7 4,-0.6 -5,-0.2 3,-0.5 0.913 111.2 47.1 -68.0 -41.7 15.6 6.7 -41.8 13 13 A I H X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 3,-0.2 0.763 106.5 61.3 -70.8 -25.3 12.4 6.3 -43.9 14 14 A E H < S+ 0 0 99 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.811 87.5 71.5 -72.5 -31.8 14.5 6.0 -47.0 15 15 A Q H < S+ 0 0 124 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.908 119.3 15.3 -53.6 -47.2 16.3 2.8 -45.8 16 16 A L H < S+ 0 0 55 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.587 138.0 39.6-102.2 -16.0 13.1 0.6 -46.2 17 17 A Y >< + 0 0 61 -4,-1.4 3,-1.6 -5,-0.2 -2,-0.2 -0.432 60.2 153.5-134.8 63.3 11.1 3.0 -48.4 18 18 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.662 76.1 55.3 -67.8 -17.6 13.5 4.6 -50.8 19 19 A D T 3 S+ 0 0 153 -3,-0.1 2,-0.8 -5,-0.1 -5,-0.1 0.416 78.9 106.7 -95.4 -2.2 10.7 5.2 -53.3 20 20 A F < - 0 0 47 -3,-1.6 2,-0.5 -7,-0.2 -3,-0.1 -0.703 66.1-142.3 -82.2 113.9 8.4 7.1 -50.9 21 21 A T - 0 0 94 -2,-0.8 2,-0.8 1,-0.0 -2,-0.1 -0.633 7.4-154.4 -83.6 121.2 8.5 10.7 -52.0 22 22 A I + 0 0 33 -2,-0.5 3,-0.1 1,-0.2 -1,-0.0 -0.841 22.2 166.5 -95.9 108.8 8.5 13.2 -49.1 23 23 A N + 0 0 129 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.806 69.6 15.7 -88.2 -36.8 7.0 16.6 -50.3 24 24 A T - 0 0 63 2,-0.0 16,-2.6 0, 0.0 2,-0.4 -0.999 60.5-175.6-142.0 138.7 6.5 18.1 -46.8 25 25 A I E +A 39 0A 37 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.996 15.1 153.9-135.0 130.9 7.9 17.3 -43.4 26 26 A E E -A 38 0A 64 12,-1.8 12,-2.1 -2,-0.4 2,-0.7 -0.946 47.1-101.1-145.5 163.5 6.9 19.1 -40.1 27 27 A I E -A 37 0A 89 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.835 29.7-173.8 -92.4 116.5 6.8 18.2 -36.4 28 28 A S E - 0 0 65 8,-2.0 2,-0.3 -2,-0.7 9,-0.2 0.763 60.5 -47.2 -78.9 -30.1 3.2 17.4 -35.4 29 29 A G E -A 36 0A 33 7,-1.2 7,-3.2 2,-0.0 2,-0.3 -0.931 48.1-124.7 170.0 170.1 3.9 17.1 -31.7 30 30 A E E +A 35 0A 136 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.998 22.7 178.3-143.0 135.6 6.2 15.5 -29.1 31 31 A G - 0 0 39 3,-3.2 -2,-0.0 -2,-0.3 5,-0.0 -0.509 49.7 -85.1-121.0-167.0 5.4 13.3 -26.1 32 32 A N S S+ 0 0 65 -2,-0.2 21,-0.1 1,-0.1 17,-0.1 0.851 126.4 30.2 -71.2 -32.3 7.4 11.5 -23.4 33 33 A D S S+ 0 0 27 1,-0.2 16,-3.1 20,-0.1 17,-0.4 0.829 123.1 20.4 -94.1 -38.4 8.0 8.5 -25.7 34 34 A C E - B 0 48A 18 14,-0.3 -3,-3.2 15,-0.1 2,-0.5 -0.920 54.5-133.5-137.4 154.9 8.1 9.9 -29.2 35 35 A I E -AB 30 47A 6 12,-2.7 12,-2.8 -2,-0.3 2,-0.5 -0.936 33.3-142.9 -99.0 133.4 8.5 12.8 -31.5 36 36 A A E -AB 29 46A 16 -7,-3.2 -8,-2.0 -2,-0.5 -7,-1.2 -0.876 13.1-165.6-103.9 130.8 5.7 12.9 -34.2 37 37 A Y E -AB 27 45A 2 8,-3.0 8,-3.2 -2,-0.5 2,-0.6 -0.952 11.4-146.7-115.1 124.0 6.4 14.0 -37.8 38 38 A E E -AB 26 44A 13 -12,-2.1 -12,-1.8 -2,-0.5 2,-0.5 -0.770 19.6-164.9 -87.7 123.3 3.6 14.9 -40.2 39 39 A I E >> -AB 25 43A 0 4,-2.5 3,-3.0 -2,-0.6 4,-2.3 -0.935 65.5 -15.8-115.3 134.0 4.6 13.9 -43.7 40 40 A N T 34 S- 0 0 23 -16,-2.6 -1,-0.1 -2,-0.5 -15,-0.1 0.653 107.1 -84.3 55.2 18.9 2.9 15.1 -46.9 41 41 A R T 34 S+ 0 0 130 -17,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.750 126.2 84.7 52.9 23.4 -0.0 16.1 -44.6 42 42 A D T <4 S+ 0 0 94 -3,-3.0 55,-2.4 1,-0.2 2,-0.3 0.647 83.1 39.6-122.2 -29.3 -1.0 12.4 -45.0 43 43 A F E < -BC 39 96A 36 -4,-2.3 -4,-2.5 53,-0.2 2,-0.6 -0.933 58.1-142.3-130.3 150.4 0.9 10.4 -42.5 44 44 A I E -BC 38 95A 27 51,-3.4 51,-3.6 -2,-0.3 2,-0.6 -0.958 20.0-166.0-109.0 116.5 2.1 10.6 -38.9 45 45 A F E -BC 37 94A 0 -8,-3.2 -8,-3.0 -2,-0.6 2,-0.5 -0.905 5.1-157.9-101.2 118.0 5.5 9.2 -38.4 46 46 A K E -BC 36 93A 23 47,-2.7 47,-1.5 -2,-0.6 -10,-0.2 -0.853 6.0-168.7 -97.5 129.3 6.5 8.5 -34.8 47 47 A F E -B 35 0A 2 -12,-2.8 -12,-2.7 -2,-0.5 45,-0.2 -0.974 23.2-123.1-113.2 132.8 10.2 8.3 -33.8 48 48 A P E -B 34 0A 0 0, 0.0 -14,-0.3 0, 0.0 3,-0.1 -0.429 8.9-155.1 -78.3 148.0 11.1 7.0 -30.3 49 49 A K S S+ 0 0 13 -16,-3.1 -47,-2.9 1,-0.2 2,-0.3 0.373 76.9 0.9 -99.2 1.7 13.2 9.1 -27.9 50 50 A H S >> S- 0 0 33 -17,-0.4 4,-2.2 -49,-0.2 3,-0.7 -0.941 85.9 -85.3 178.9 159.8 14.5 6.1 -26.0 51 51 A S H 3> S+ 0 0 50 -2,-0.3 4,-2.1 1,-0.3 38,-0.4 0.878 124.2 49.5 -47.1 -52.9 14.3 2.3 -25.8 52 52 A R H 3> S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.856 109.8 52.6 -59.5 -35.0 11.2 2.1 -23.7 53 53 A G H <> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.901 106.8 53.1 -66.0 -41.1 9.5 4.5 -26.1 54 54 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.876 106.5 52.8 -60.4 -38.8 10.5 2.2 -29.0 55 55 A T H X S+ 0 0 52 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.912 108.8 49.3 -64.2 -42.4 8.8 -0.7 -27.1 56 56 A N H X S+ 0 0 35 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.868 110.1 50.8 -63.6 -39.1 5.6 1.3 -26.8 57 57 A L H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.919 108.6 52.9 -61.3 -43.3 5.6 2.2 -30.5 58 58 A F H X S+ 0 0 66 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.944 112.0 44.7 -58.0 -50.8 6.1 -1.5 -31.3 59 59 A N H X S+ 0 0 19 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.867 111.5 53.2 -59.7 -40.8 3.1 -2.4 -29.2 60 60 A E H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.939 112.2 45.0 -60.1 -46.3 1.1 0.4 -30.7 61 61 A V H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.948 115.1 47.7 -63.0 -50.2 1.9 -0.9 -34.2 62 62 A N H X S+ 0 0 46 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.913 115.7 44.7 -54.6 -48.3 1.2 -4.5 -33.2 63 63 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.922 110.1 52.3 -67.8 -47.5 -2.1 -3.6 -31.5 64 64 A L H X S+ 0 0 3 -4,-2.8 4,-0.6 -5,-0.2 -1,-0.2 0.895 111.3 48.6 -59.1 -39.6 -3.4 -1.2 -34.3 65 65 A K H >< S+ 0 0 117 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.938 111.4 50.1 -62.2 -44.3 -2.8 -4.0 -36.9 66 66 A R H 3< S+ 0 0 98 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.852 118.4 36.9 -64.5 -35.8 -4.6 -6.6 -34.7 67 67 A I H >< S+ 0 0 0 -4,-2.3 3,-2.2 -5,-0.1 4,-0.4 0.339 83.1 141.0-103.0 7.1 -7.7 -4.4 -34.2 68 68 A H T << S+ 0 0 73 -3,-0.8 -3,-0.1 -4,-0.6 9,-0.1 -0.175 79.4 1.9 -46.1 133.9 -7.8 -2.9 -37.6 69 69 A N T 3 S+ 0 0 149 1,-0.1 -1,-0.3 6,-0.1 -4,-0.0 0.692 105.4 103.3 55.5 22.6 -11.4 -2.5 -38.9 70 70 A K < + 0 0 106 -3,-2.2 -2,-0.1 63,-0.0 -1,-0.1 0.483 65.2 78.5-102.8 -7.8 -12.7 -4.0 -35.6 71 71 A L S S- 0 0 26 -4,-0.4 4,-0.1 2,-0.1 55,-0.1 -0.779 72.9-133.6-116.6 151.3 -13.9 -0.6 -34.1 72 72 A P S S+ 0 0 46 0, 0.0 54,-0.1 0, 0.0 -1,-0.1 0.372 92.7 57.0 -82.0 2.7 -16.9 1.7 -34.6 73 73 A L S S- 0 0 11 53,-0.1 -2,-0.1 50,-0.0 140,-0.1 -0.990 97.8 -98.4-127.8 143.1 -14.6 4.9 -34.7 74 74 A P - 0 0 72 0, 0.0 141,-2.1 0, 0.0 24,-0.0 -0.282 43.2-176.5 -53.1 139.3 -11.8 5.5 -37.2 75 75 A I - 0 0 23 139,-0.2 141,-0.2 -4,-0.1 -6,-0.1 -0.938 36.9 -80.5-131.5 159.7 -8.3 4.7 -35.7 76 76 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 21,-0.1 -0.230 41.2-140.0 -60.4 148.0 -4.9 5.2 -37.3 77 77 A E - 0 0 89 -9,-0.1 19,-2.8 19,-0.0 2,-0.6 -0.890 16.6-120.0-108.9 142.8 -3.8 2.6 -39.8 78 78 A V E +D 95 0A 25 -2,-0.4 17,-0.2 17,-0.2 3,-0.1 -0.739 43.4 156.3 -85.7 120.5 -0.2 1.4 -39.8 79 79 A V E + 0 0 63 15,-2.9 2,-0.4 -2,-0.6 16,-0.2 0.713 61.9 33.0-117.2 -35.9 1.4 2.0 -43.3 80 80 A F E -D 94 0A 15 14,-2.4 14,-2.4 -63,-0.0 2,-0.4 -0.961 61.2-171.8-121.6 144.9 5.2 2.2 -42.7 81 81 A T E -D 93 0A 39 -2,-0.4 12,-0.2 12,-0.2 2,-0.1 -0.985 14.6-140.3-137.1 130.2 7.2 0.3 -40.1 82 82 A G - 0 0 6 10,-3.2 -69,-0.1 -2,-0.4 10,-0.0 -0.367 25.5-105.0 -82.2 161.7 10.9 0.9 -39.3 83 83 A M - 0 0 83 7,-0.2 8,-1.7 1,-0.1 -1,-0.1 -0.479 37.2-102.6 -82.4 156.5 13.5 -1.8 -38.5 84 84 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.255 35.0-172.5 -67.6 164.9 14.8 -2.6 -35.1 85 85 A S B > -E 88 0B 45 3,-2.4 3,-2.8 1,-0.1 5,-0.1 -0.891 52.0 -49.8-158.7 135.3 18.2 -1.5 -33.9 86 86 A E T 3 S- 0 0 193 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 -0.078 129.2 -6.7 37.4-113.2 20.1 -2.3 -30.7 87 87 A T T 3 S+ 0 0 90 -3,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.609 114.7 96.8 -85.6 -14.5 17.6 -1.7 -27.9 88 88 A Y B < -E 85 0B 20 -3,-2.8 -3,-2.4 1,-0.2 3,-0.2 -0.694 55.2-164.8 -81.5 114.8 14.9 -0.2 -30.1 89 89 A Q S S+ 0 0 75 -2,-0.7 2,-0.3 -38,-0.4 -1,-0.2 0.734 86.1 18.2 -65.6 -22.0 12.3 -2.8 -31.2 90 90 A M - 0 0 15 -39,-0.1 -1,-0.3 -5,-0.1 -7,-0.2 -0.864 61.1-156.9-158.9 117.6 11.3 -0.3 -33.8 91 91 A S S S- 0 0 25 -8,-1.7 2,-0.3 -2,-0.3 -1,-0.1 0.694 78.4 -31.5 -69.7 -24.9 13.1 2.7 -35.2 92 92 A F - 0 0 0 -45,-0.2 -10,-3.2 -38,-0.1 2,-0.3 -0.934 52.5-147.0-174.0 170.9 9.9 4.4 -36.3 93 93 A A E -CD 46 81A 0 -47,-1.5 -47,-2.7 -2,-0.3 2,-0.5 -0.957 11.0-144.4-151.2 141.6 6.4 3.7 -37.6 94 94 A G E -CD 45 80A 0 -14,-2.4 -15,-2.9 -2,-0.3 -14,-2.4 -0.937 20.5-173.6-112.2 123.3 4.2 5.7 -40.0 95 95 A F E -CD 44 78A 4 -51,-3.6 -51,-3.4 -2,-0.5 -17,-0.2 -0.791 33.1 -93.7-113.0 152.3 0.5 5.9 -39.5 96 96 A T E -C 43 0A 48 -19,-2.8 2,-0.6 -2,-0.3 -53,-0.2 -0.350 41.6-120.8 -53.2 134.4 -2.4 7.3 -41.5 97 97 A K - 0 0 46 -55,-2.4 2,-0.3 -21,-0.1 -1,-0.1 -0.771 27.0-150.3 -82.6 118.8 -3.3 10.9 -40.4 98 98 A I - 0 0 26 -2,-0.6 2,-0.2 -24,-0.0 116,-0.1 -0.719 15.9-119.5 -89.4 143.0 -6.9 10.9 -39.3 99 99 A K + 0 0 128 -2,-0.3 2,-0.2 114,-0.2 114,-0.1 -0.526 63.1 72.0 -83.7 149.0 -8.9 14.1 -39.7 100 100 A G - 0 0 42 -2,-0.2 106,-0.2 104,-0.1 104,-0.1 -0.641 67.3 -96.6 135.4 168.8 -10.4 16.0 -36.8 101 101 A V E -F 205 0C 65 104,-2.6 104,-3.0 -2,-0.2 112,-0.2 -0.908 50.4 -85.0-121.5 148.3 -9.5 18.2 -33.8 102 102 A P E -F 204 0C 41 0, 0.0 2,-2.3 0, 0.0 102,-0.2 -0.238 39.6-120.8 -52.7 133.4 -9.0 17.2 -30.2 103 103 A L - 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