==== 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 3N4U . COMPND 2 MOLECULE: APH(2'')-ID; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS CASSELIFLAVUS; . AUTHOR C.A.SMITH,M.TOTH,H.FRASE,S.B.VAKULENKO . 301 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 13.0 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 . 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 . 18 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 1 0 0 0 0 0 2 0 1 0 2 1 0 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 0 143 0, 0.0 2,-0.4 0, 0.0 49,-0.2 0.000 360.0 360.0 360.0 126.4 16.5 10.2 -27.1 2 2 A R - 0 0 117 47,-2.3 2,-0.2 2,-0.0 0, 0.0 -0.928 360.0-158.1-115.0 136.1 16.5 10.3 -30.8 3 3 A T - 0 0 122 -2,-0.4 2,-0.3 32,-0.0 32,-0.0 -0.683 3.0-152.2-110.2 167.7 15.6 13.4 -32.9 4 4 A Y - 0 0 31 -2,-0.2 2,-0.2 43,-0.1 43,-0.0 -0.994 7.9-146.9-140.6 142.3 14.4 13.9 -36.5 5 5 A T > - 0 0 77 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.619 36.8-110.4 -93.3 164.8 14.6 16.4 -39.2 6 6 A F H > S+ 0 0 87 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.863 119.1 55.4 -63.6 -35.4 11.7 16.8 -41.7 7 7 A D H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.935 105.6 49.6 -64.5 -45.2 13.9 15.4 -44.4 8 8 A Q H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 112.5 49.7 -58.5 -43.1 14.7 12.2 -42.5 9 9 A V H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.978 113.6 43.7 -59.2 -57.4 11.0 11.7 -41.8 10 10 A E H X S+ 0 0 45 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.900 112.8 52.4 -54.4 -46.7 10.1 12.2 -45.5 11 11 A K H X S+ 0 0 103 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.907 108.4 51.0 -59.2 -43.6 12.9 10.0 -46.8 12 12 A A H X S+ 0 0 33 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.885 113.2 44.6 -61.1 -40.9 11.9 7.1 -44.4 13 13 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 3,-0.4 0.945 113.7 48.9 -71.2 -45.8 8.3 7.2 -45.6 14 14 A E H < S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.844 104.3 61.4 -60.4 -37.1 9.2 7.5 -49.3 15 15 A Q H < S+ 0 0 140 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.898 117.8 28.5 -56.3 -42.0 11.6 4.6 -49.0 16 16 A L H < S+ 0 0 50 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.707 132.3 35.9 -94.3 -24.5 8.8 2.3 -47.9 17 17 A Y >< + 0 0 63 -4,-2.7 3,-1.7 -5,-0.1 -1,-0.2 -0.626 63.6 168.6-133.7 75.4 6.0 4.0 -49.8 18 18 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.760 79.2 50.0 -57.7 -33.3 7.3 5.3 -53.1 19 19 A D T 3 S+ 0 0 159 2,-0.1 2,-0.8 1,-0.1 -5,-0.1 0.288 84.9 94.8 -98.6 9.4 3.9 6.1 -54.5 20 20 A F S < S- 0 0 32 -3,-1.7 2,-0.4 -7,-0.1 -3,-0.1 -0.868 70.6-149.9 -96.5 101.0 2.6 8.0 -51.5 21 21 A T - 0 0 97 -2,-0.8 2,-0.8 1,-0.1 -2,-0.1 -0.567 1.7-144.1 -80.3 127.5 3.4 11.6 -52.4 22 22 A I + 0 0 28 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 -0.808 30.6 161.3 -93.6 108.8 4.1 13.9 -49.6 23 23 A N + 0 0 128 -2,-0.8 2,-0.4 1,-0.3 -1,-0.2 0.861 67.1 15.3 -92.6 -46.7 2.6 17.4 -50.3 24 24 A T + 0 0 64 2,-0.0 16,-2.2 0, 0.0 2,-0.3 -0.984 60.9 177.4-130.7 143.6 2.6 18.9 -46.8 25 25 A I E +A 39 0A 36 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.968 8.0 160.0-144.9 132.4 4.2 18.0 -43.6 26 26 A E E -A 38 0A 94 12,-1.9 12,-2.6 -2,-0.3 2,-0.7 -0.974 45.6 -98.4-141.6 158.9 4.1 19.7 -40.2 27 27 A I E -A 37 0A 86 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.721 33.2-175.7 -82.4 117.7 4.8 18.7 -36.6 28 28 A S E - 0 0 65 8,-2.3 2,-0.3 -2,-0.7 9,-0.2 0.687 57.6 -46.4 -86.3 -27.7 1.4 18.0 -34.9 29 29 A G E -A 36 0A 32 7,-1.3 7,-2.5 2,-0.0 2,-0.3 -0.965 45.9-131.3 172.1-179.1 2.6 17.4 -31.4 30 30 A E E +A 35 0A 123 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.914 22.2 170.0-161.5 126.3 5.2 15.7 -29.2 31 31 A G - 0 0 40 3,-2.3 -2,-0.0 -2,-0.3 5,-0.0 -0.316 55.2 -71.9-118.5-157.1 4.8 13.5 -26.1 32 32 A N S S+ 0 0 62 -2,-0.1 21,-0.2 1,-0.1 3,-0.1 0.782 126.8 30.2 -73.5 -26.4 7.1 11.3 -24.0 33 33 A D S S+ 0 0 26 1,-0.2 16,-3.4 20,-0.1 17,-0.7 0.824 120.9 11.0-100.9 -39.0 7.3 8.5 -26.6 34 34 A C E - B 0 48A 19 14,-0.3 -3,-2.3 15,-0.1 2,-0.4 -0.922 55.3-123.9-142.2 159.5 6.9 10.0 -30.1 35 35 A I E -AB 30 47A 14 12,-2.2 12,-2.4 -2,-0.3 2,-0.5 -0.917 33.0-142.5-100.3 136.8 6.8 13.1 -32.3 36 36 A A E -AB 29 46A 15 -7,-2.5 -8,-2.3 -2,-0.4 -7,-1.3 -0.882 13.6-166.2-105.1 130.7 3.6 13.3 -34.4 37 37 A Y E -AB 27 45A 2 8,-2.7 8,-2.8 -2,-0.5 2,-0.6 -0.964 13.1-145.6-116.7 127.3 3.6 14.6 -38.0 38 38 A E E -AB 26 44A 13 -12,-2.6 -12,-1.9 -2,-0.5 2,-0.4 -0.856 24.1-171.4 -89.9 120.6 0.5 15.6 -39.9 39 39 A I E >> -AB 25 43A 0 4,-2.0 4,-1.6 -2,-0.6 3,-1.4 -0.940 63.0 -8.9-120.1 134.6 1.0 14.7 -43.5 40 40 A N T 34 S- 0 0 26 -16,-2.2 -1,-0.2 -2,-0.4 -15,-0.1 0.749 110.0 -85.0 48.9 29.0 -1.2 15.7 -46.4 41 41 A R T 34 S+ 0 0 145 -17,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.387 124.9 66.6 69.1 -4.7 -3.7 17.0 -43.9 42 42 A D T <4 S+ 0 0 86 -3,-1.4 55,-3.3 1,-0.1 2,-0.3 0.427 87.4 61.8-133.2 -0.8 -5.3 13.6 -43.4 43 43 A F E < -BC 39 96A 45 -4,-1.6 -4,-2.0 53,-0.3 2,-0.6 -0.964 56.9-149.3-129.7 149.1 -2.7 11.3 -41.8 44 44 A I E -BC 38 95A 30 51,-2.9 51,-2.7 -2,-0.3 2,-0.5 -0.964 15.4-167.4-114.4 114.4 -0.8 11.2 -38.5 45 45 A F E -BC 37 94A 0 -8,-2.8 -8,-2.7 -2,-0.6 2,-0.5 -0.894 5.9-157.1 -99.1 126.3 2.6 9.6 -38.6 46 46 A K E -BC 36 93A 23 47,-2.6 47,-1.6 -2,-0.5 -10,-0.2 -0.890 5.8-167.9-104.2 132.1 4.3 8.9 -35.3 47 47 A F E -B 35 0A 5 -12,-2.4 -12,-2.2 -2,-0.5 2,-0.2 -0.966 23.9-122.1-115.3 132.6 8.1 8.5 -35.0 48 48 A P E -B 34 0A 0 0, 0.0 -14,-0.3 0, 0.0 3,-0.1 -0.494 13.4-162.7 -78.5 138.5 9.5 7.0 -31.8 49 49 A K S S+ 0 0 24 -16,-3.4 -47,-2.3 -2,-0.2 2,-0.3 0.653 77.5 11.8 -90.2 -16.7 12.1 9.0 -29.7 50 50 A H S > S- 0 0 37 -17,-0.7 4,-2.3 -49,-0.2 5,-0.2 -0.963 82.9 -98.7-153.5 167.5 13.3 5.9 -27.9 51 51 A S H > S+ 0 0 49 -2,-0.3 4,-2.0 1,-0.2 38,-0.3 0.869 123.5 51.7 -61.2 -36.5 13.1 2.1 -27.9 52 52 A R H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 110.2 49.5 -63.7 -44.8 10.4 2.1 -25.2 53 53 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.862 109.9 51.6 -57.2 -38.7 8.5 4.6 -27.4 54 54 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.827 109.0 50.1 -68.6 -34.8 9.0 2.2 -30.4 55 55 A T H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.931 109.7 50.8 -68.4 -44.8 7.6 -0.7 -28.4 56 56 A N H X S+ 0 0 26 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.874 111.0 48.7 -59.8 -37.6 4.6 1.3 -27.4 57 57 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.883 109.0 51.9 -70.8 -40.4 4.0 2.2 -31.1 58 58 A F H X S+ 0 0 60 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.942 112.2 48.8 -56.2 -45.8 4.4 -1.4 -32.1 59 59 A N H X S+ 0 0 27 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.922 108.8 51.2 -60.4 -49.9 1.8 -2.1 -29.5 60 60 A E H X S+ 0 0 4 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.955 110.0 50.5 -53.7 -53.1 -0.6 0.7 -30.7 61 61 A V H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.939 113.6 44.2 -49.8 -54.4 -0.4 -0.7 -34.2 62 62 A N H X S+ 0 0 55 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.901 115.6 47.2 -60.7 -42.1 -1.2 -4.2 -33.2 63 63 A I H X S+ 0 0 4 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.907 111.4 50.7 -68.7 -39.7 -4.0 -3.2 -30.8 64 64 A L H < S+ 0 0 2 -4,-3.1 4,-0.4 -5,-0.3 -2,-0.2 0.890 111.1 47.9 -67.9 -40.4 -5.6 -0.9 -33.4 65 65 A K H >< S+ 0 0 128 -4,-2.3 3,-0.7 -5,-0.3 -1,-0.2 0.902 112.4 51.8 -61.3 -39.9 -5.6 -3.6 -36.0 66 66 A R H 3< S+ 0 0 135 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.845 118.0 33.6 -69.5 -34.7 -7.1 -6.0 -33.5 67 67 A I T >< S+ 0 0 2 -4,-2.0 3,-2.1 -5,-0.1 4,-0.4 0.206 82.4 145.1-109.8 15.8 -10.0 -3.8 -32.4 68 68 A H T < S- 0 0 76 -3,-0.7 -3,-0.1 -4,-0.4 9,-0.1 -0.322 79.4 -1.4 -58.2 126.8 -10.6 -2.1 -35.7 69 69 A N T 3 S+ 0 0 139 6,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.675 107.1 106.3 63.8 19.8 -14.4 -1.4 -36.1 70 70 A K < + 0 0 142 -3,-2.1 -2,-0.2 3,-0.1 -1,-0.1 0.605 61.8 72.5-101.8 -13.2 -15.1 -3.1 -32.8 71 71 A L S S- 0 0 25 -4,-0.4 55,-0.1 2,-0.2 4,-0.1 -0.639 79.1-121.9-110.3 161.8 -15.9 -0.1 -30.7 72 72 A P S S+ 0 0 36 0, 0.0 54,-0.1 0, 0.0 -1,-0.1 0.503 99.2 52.0 -81.9 -6.5 -18.9 2.4 -30.4 73 73 A L S S- 0 0 13 53,-0.1 -2,-0.2 52,-0.1 -4,-0.1 -0.964 98.1-100.4-121.8 149.3 -16.7 5.4 -31.1 74 74 A P - 0 0 73 0, 0.0 141,-2.1 0, 0.0 -6,-0.0 -0.371 38.6-173.3 -67.3 143.6 -14.3 5.8 -34.1 75 75 A I - 0 0 18 139,-0.2 141,-0.2 -4,-0.1 -6,-0.1 -0.866 36.7 -74.2-128.5 165.0 -10.6 5.1 -33.4 76 76 A P - 0 0 9 0, 0.0 2,-0.5 0, 0.0 21,-0.1 -0.198 40.9-137.7 -62.6 151.2 -7.6 5.6 -35.7 77 77 A E - 0 0 92 19,-0.2 19,-2.1 -9,-0.1 2,-0.5 -0.925 17.5-121.7-108.9 133.7 -7.0 3.2 -38.6 78 78 A V E +D 95 0A 29 -2,-0.5 17,-0.2 17,-0.2 3,-0.1 -0.619 42.4 157.2 -73.2 119.3 -3.4 1.9 -39.3 79 79 A V E + 0 0 59 15,-2.9 2,-0.4 -2,-0.5 16,-0.2 0.678 62.1 31.4-114.2 -29.1 -2.5 2.8 -42.9 80 80 A F E -D 94 0A 16 14,-2.0 14,-3.3 -63,-0.0 2,-0.4 -0.994 60.2-170.5-134.6 139.6 1.3 2.8 -42.9 81 81 A T E -D 93 0A 54 -2,-0.4 12,-0.2 12,-0.2 9,-0.0 -0.974 10.1-148.5-127.7 145.2 3.9 0.8 -40.9 82 82 A G - 0 0 12 10,-2.7 -1,-0.1 -2,-0.4 12,-0.0 0.160 28.8 -93.9 -84.7-153.3 7.6 1.2 -40.7 83 83 A M - 0 0 101 2,-0.0 8,-2.2 1,-0.0 2,-0.1 -0.833 30.5-100.2-125.7 164.5 10.3 -1.4 -40.1 84 84 A P + 0 0 97 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.481 40.0 173.5 -77.3 156.5 12.1 -3.0 -37.2 85 85 A S B > -E 88 0B 65 3,-2.9 3,-2.7 1,-0.2 2,-0.2 -0.685 49.8 -59.1-169.4 110.5 15.6 -1.8 -36.5 86 86 A E T 3 S- 0 0 184 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.286 125.6 -1.3 61.4-118.0 17.9 -2.7 -33.6 87 87 A T T 3 S+ 0 0 95 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.382 120.7 88.5 -86.0 4.4 16.3 -1.7 -30.4 88 88 A Y B < -E 85 0B 28 -3,-2.7 -3,-2.9 1,-0.1 3,-0.2 -0.903 53.0-172.3-112.3 109.2 13.3 -0.3 -32.3 89 89 A Q S S+ 0 0 81 -2,-0.6 2,-0.3 -38,-0.3 -1,-0.1 0.750 83.7 25.4 -64.6 -26.0 10.5 -2.8 -33.0 90 90 A M - 0 0 17 -5,-0.1 -1,-0.2 -39,-0.1 -33,-0.1 -0.907 61.2-162.7-148.7 109.7 8.7 -0.2 -35.2 91 91 A S S S- 0 0 34 -8,-2.2 2,-0.3 -2,-0.3 -1,-0.1 0.802 74.8 -30.8 -69.9 -29.5 10.5 2.7 -37.0 92 92 A F - 0 0 0 -45,-0.2 -10,-2.7 -9,-0.1 2,-0.3 -0.967 54.0-146.7-169.9 170.4 7.2 4.6 -37.6 93 93 A A E -CD 46 81A 0 -47,-1.6 -47,-2.6 -2,-0.3 2,-0.4 -0.991 8.1-146.3-147.9 151.1 3.5 4.3 -38.1 94 94 A G E -CD 45 80A 0 -14,-3.3 -15,-2.9 -2,-0.3 -14,-2.0 -0.976 17.0-174.7-122.5 128.1 0.9 6.2 -40.1 95 95 A F E -CD 44 78A 5 -51,-2.7 -51,-2.9 -2,-0.4 2,-0.2 -0.868 33.7-102.0-120.6 152.7 -2.7 6.6 -39.0 96 96 A T E -C 43 0A 46 -19,-2.1 2,-0.7 -2,-0.3 -53,-0.3 -0.530 42.9-118.9 -69.3 134.4 -5.8 8.1 -40.6 97 97 A K - 0 0 71 -55,-3.3 2,-0.4 -2,-0.2 -1,-0.1 -0.705 22.6-145.9 -81.1 117.6 -6.4 11.5 -39.1 98 98 A I - 0 0 32 -2,-0.7 2,-0.2 1,-0.1 116,-0.1 -0.669 21.5-119.3 -80.8 132.5 -9.8 11.6 -37.3 99 99 A K + 0 0 168 -2,-0.4 2,-0.3 114,-0.1 -1,-0.1 -0.507 64.7 72.7 -76.1 138.2 -11.4 15.0 -37.6 100 100 A G - 0 0 44 -2,-0.2 106,-0.2 104,-0.1 104,-0.1 -0.829 66.9 -96.5 147.5 178.7 -12.2 16.9 -34.4 101 101 A V E -F 205 0C 67 104,-2.0 104,-2.5 -2,-0.3 -2,-0.0 -0.929 48.8 -86.0-129.4 148.9 -10.8 18.9 -31.5 102 102 A P E -F 204 0C 44 0, 0.0 2,-1.6 0, 0.0 102,-0.2 -0.244 36.2-123.4 -54.2 138.6 -10.0 17.7 -28.0 103 103 A L - 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