==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/RNA 11-JAN-07 2OIH . COMPND 2 MOLECULE: HDV RIBOZYME; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.KE,F.DING,J.D.BATCHELOR,J.A.DOUDNA . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 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 . 6 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 4 A P 0 0 160 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.7 40.9 30.1 76.3 2 5 A E - 0 0 138 1,-0.1 2,-0.2 80,-0.0 80,-0.0 0.018 360.0-127.9 -42.6 146.9 39.7 29.9 80.0 3 6 A T - 0 0 33 80,-0.1 -1,-0.1 1,-0.0 82,-0.1 -0.652 14.2-112.6-103.5 158.7 42.1 31.2 82.6 4 7 A R - 0 0 185 -2,-0.2 -1,-0.0 81,-0.2 0, 0.0 -0.570 51.3 -76.3 -86.7 152.7 43.5 29.5 85.7 5 8 A P + 0 0 77 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.092 58.6 178.5 -48.0 139.1 42.6 30.8 89.2 6 9 A N - 0 0 9 53,-0.2 50,-0.1 -3,-0.1 56,-0.1 -0.933 45.0-118.9-144.1 164.1 44.4 34.0 90.2 7 10 A H S S+ 0 0 17 -2,-0.3 49,-2.5 1,-0.1 2,-0.5 0.744 102.2 65.8 -72.8 -21.6 44.6 36.5 93.1 8 11 A T E S-A 55 0A 0 47,-0.2 76,-2.9 76,-0.1 2,-0.4 -0.881 71.4-154.1-108.2 125.0 43.4 39.1 90.6 9 12 A I E -AB 54 83A 0 45,-2.2 45,-1.9 -2,-0.5 2,-0.6 -0.773 11.9-142.0 -96.8 141.8 40.0 39.1 88.9 10 13 A Y E -AB 53 82A 41 72,-2.7 72,-2.0 -2,-0.4 2,-0.4 -0.912 19.2-169.9-104.5 118.2 39.7 40.8 85.6 11 14 A I E +AB 52 81A 0 41,-2.9 41,-2.6 -2,-0.6 2,-0.2 -0.905 12.1 163.6-109.5 134.0 36.4 42.7 85.2 12 15 A N E + B 0 80A 34 68,-2.8 68,-2.0 -2,-0.4 39,-0.2 -0.790 46.8 65.7-138.0-176.9 35.2 44.1 81.9 13 16 A N S S+ 0 0 44 37,-0.5 2,-0.3 -2,-0.2 38,-0.2 0.839 71.5 157.4 67.2 33.7 32.0 45.4 80.4 14 17 A L - 0 0 2 36,-2.3 -1,-0.2 -3,-0.1 2,-0.1 -0.707 56.4 -92.6 -91.7 143.1 32.1 48.3 82.9 15 18 A N > - 0 0 35 59,-0.4 3,-1.0 -2,-0.3 35,-0.2 -0.319 36.1-155.9 -52.6 117.6 30.3 51.6 82.2 16 19 A E T 3 S+ 0 0 96 1,-0.2 -1,-0.2 -2,-0.1 34,-0.1 0.533 81.0 75.1 -78.9 -6.1 33.1 53.7 80.5 17 20 A K T 3 S+ 0 0 159 2,-0.1 2,-0.4 33,-0.0 -1,-0.2 0.454 74.4 101.0 -83.4 -1.1 31.5 57.1 81.5 18 21 A I S < S- 0 0 20 -3,-1.0 32,-0.1 1,-0.1 -4,-0.0 -0.726 77.1-119.2 -90.9 129.1 32.7 56.7 85.1 19 22 A K > - 0 0 142 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.287 25.5-114.1 -63.9 150.1 35.9 58.6 86.2 20 23 A K H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 112.7 50.4 -51.2 -51.3 38.7 56.5 87.5 21 24 A D H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.907 115.3 44.3 -59.0 -42.7 38.8 57.6 91.1 22 25 A E H > S+ 0 0 89 2,-0.2 4,-3.4 -3,-0.2 5,-0.2 0.923 110.5 53.2 -68.5 -46.1 35.0 57.0 91.4 23 26 A L H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.920 110.5 48.3 -56.4 -46.0 35.1 53.6 89.6 24 27 A K H X S+ 0 0 67 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.927 112.8 47.6 -60.2 -47.4 37.8 52.4 92.0 25 28 A K H X S+ 0 0 130 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.959 113.3 48.2 -59.1 -51.9 35.9 53.6 95.1 26 29 A S H X S+ 0 0 29 -4,-3.4 4,-1.2 1,-0.2 -1,-0.2 0.861 110.4 51.0 -58.7 -38.8 32.7 52.0 93.8 27 30 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.899 109.2 50.8 -66.7 -39.0 34.4 48.6 93.1 28 31 A H H X S+ 0 0 90 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.901 103.1 62.4 -64.2 -35.9 35.9 48.6 96.5 29 32 A A H < S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.876 116.7 26.5 -58.2 -39.1 32.4 49.2 98.0 30 33 A I H < S+ 0 0 38 -4,-1.2 3,-0.3 -3,-0.3 -1,-0.2 0.785 125.2 44.7 -96.4 -29.6 31.0 46.0 96.6 31 34 A F H >< S+ 0 0 0 -4,-2.6 3,-1.6 -5,-0.2 4,-0.3 0.644 88.8 83.5 -90.5 -17.2 34.1 43.7 96.4 32 35 A S G >< S+ 0 0 51 -4,-2.0 3,-1.4 -5,-0.3 -1,-0.2 0.779 79.7 67.1 -59.2 -28.7 35.7 44.4 99.7 33 36 A R G 3 S+ 0 0 172 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.678 87.7 68.3 -68.3 -15.5 33.5 41.9 101.6 34 37 A F G < S- 0 0 19 -3,-1.6 -1,-0.2 1,-0.3 2,-0.2 0.654 121.2 -64.6 -78.1 -13.3 35.1 39.0 99.8 35 38 A G S < S- 0 0 23 -3,-1.4 -1,-0.3 -4,-0.3 0, 0.0 -0.772 78.8 -34.5 147.1 168.6 38.4 39.5 101.5 36 39 A Q - 0 0 117 -2,-0.2 21,-1.9 -3,-0.1 2,-0.5 -0.207 54.6-147.1 -53.6 138.7 41.3 42.0 101.8 37 40 A I E -C 56 0A 22 19,-0.2 19,-0.3 1,-0.1 3,-0.1 -0.950 12.2-168.1-111.1 126.9 41.9 43.9 98.6 38 41 A L E - 0 0 49 17,-3.5 2,-0.3 -2,-0.5 18,-0.2 0.825 68.0 -31.1 -83.5 -31.7 45.5 44.9 97.8 39 42 A D E -C 55 0A 64 16,-1.2 16,-3.5 2,-0.0 2,-0.4 -0.955 45.4-134.1-178.1 159.5 44.6 47.3 95.0 40 43 A I E -C 54 0A 6 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.997 22.3-154.6-127.3 123.5 42.3 48.0 92.1 41 44 A L E +C 53 0A 71 12,-2.9 12,-2.5 -2,-0.4 2,-0.3 -0.899 21.1 162.4-107.9 126.6 43.8 49.0 88.8 42 45 A V + 0 0 12 -2,-0.5 2,-0.3 10,-0.2 10,-0.1 -0.993 9.8 178.9-138.3 144.0 41.8 51.0 86.3 43 46 A S - 0 0 50 8,-0.5 8,-0.4 5,-0.4 7,-0.1 -0.989 23.3-151.0-144.4 147.7 42.8 53.1 83.3 44 47 A R + 0 0 106 -2,-0.3 5,-0.2 5,-0.1 -1,-0.0 0.278 52.7 130.7-102.5 10.2 40.8 55.1 80.8 45 48 A S S > S- 0 0 58 1,-0.1 4,-2.4 3,-0.1 -2,-0.1 -0.228 75.2-104.6 -62.1 152.9 43.1 54.6 77.8 46 49 A L T 4 S+ 0 0 145 1,-0.2 -1,-0.1 2,-0.2 -3,-0.0 0.866 122.5 44.3 -45.2 -42.8 41.5 53.5 74.5 47 50 A K T 4 S+ 0 0 170 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.917 122.4 35.0 -71.5 -42.2 42.9 50.0 75.1 48 51 A M T >4 S+ 0 0 50 -3,-0.1 3,-1.0 2,-0.0 -5,-0.4 0.511 82.1 118.8 -96.2 -4.8 42.0 49.7 78.8 49 52 A R T 3< S+ 0 0 105 -4,-2.4 -5,-0.1 1,-0.2 -33,-0.1 -0.189 73.8 28.6 -63.1 155.8 38.7 51.5 79.4 50 53 A G T 3 S+ 0 0 11 1,-0.2 -36,-2.3 -35,-0.2 -37,-0.5 0.605 107.3 94.9 72.0 14.0 35.7 49.6 80.7 51 54 A Q < - 0 0 34 -3,-1.0 -8,-0.5 -8,-0.4 2,-0.3 -0.903 48.8-178.1-133.6 157.1 38.0 47.1 82.4 52 55 A A E -A 11 0A 0 -41,-2.6 -41,-2.9 -2,-0.3 2,-0.6 -0.993 21.3-140.8-157.7 152.1 39.5 46.7 85.9 53 56 A F E -AC 10 41A 59 -12,-2.5 -12,-2.9 -2,-0.3 2,-0.7 -0.939 14.5-167.0-118.9 108.4 41.8 44.6 87.9 54 57 A V E -AC 9 40A 0 -45,-1.9 -45,-2.2 -2,-0.6 2,-0.9 -0.853 12.6-153.4 -94.7 115.8 40.8 43.9 91.5 55 58 A I E -AC 8 39A 0 -16,-3.5 -17,-3.5 -2,-0.7 -16,-1.2 -0.789 10.3-166.7-100.2 105.8 43.7 42.4 93.3 56 59 A F E - C 0 37A 0 -49,-2.5 -19,-0.2 -2,-0.9 -20,-0.1 -0.553 23.8-136.3 -86.3 148.2 42.8 40.2 96.2 57 60 A K S S+ 0 0 83 -21,-1.9 2,-0.4 -2,-0.2 -1,-0.1 0.852 92.8 39.4 -71.5 -33.4 45.3 39.0 98.9 58 61 A E S >> S- 0 0 104 -22,-0.4 4,-1.5 -51,-0.1 3,-0.6 -0.964 74.0-137.3-125.0 135.4 43.9 35.5 98.8 59 62 A V H 3> S+ 0 0 44 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.786 103.7 64.9 -54.3 -32.1 42.7 33.5 95.8 60 63 A S H 3> S+ 0 0 65 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.965 101.5 49.4 -58.2 -48.6 39.7 32.3 97.8 61 64 A S H <> S+ 0 0 9 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.936 112.4 47.2 -54.2 -51.0 38.4 35.9 97.9 62 65 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.892 112.3 49.7 -61.0 -39.4 38.9 36.3 94.2 63 66 A T H X S+ 0 0 21 -4,-2.8 4,-2.0 2,-0.2 5,-0.3 0.941 112.6 48.0 -65.4 -43.9 37.2 32.9 93.5 64 67 A N H X S+ 0 0 86 -4,-3.1 4,-2.9 -5,-0.2 -2,-0.2 0.937 112.6 48.1 -58.9 -48.5 34.3 33.9 95.7 65 68 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.851 108.3 55.5 -61.3 -38.9 34.0 37.4 94.0 66 69 A L H X S+ 0 0 27 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.972 116.1 34.6 -60.9 -54.7 34.0 35.9 90.6 67 70 A R H >< S+ 0 0 197 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.924 120.4 49.4 -68.0 -44.7 31.1 33.5 91.1 68 71 A S H 3< S+ 0 0 67 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.819 119.9 32.9 -66.4 -33.7 29.2 35.8 93.4 69 72 A M H >< S+ 0 0 7 -4,-2.3 3,-2.3 -5,-0.2 -1,-0.2 0.309 77.6 138.8-108.7 9.7 29.3 39.0 91.3 70 73 A Q T << S+ 0 0 93 -4,-0.7 10,-0.2 -3,-0.5 9,-0.1 -0.334 85.4 0.2 -57.1 125.0 29.2 37.5 87.8 71 74 A G T 3 S+ 0 0 34 8,-2.0 -1,-0.3 1,-0.2 9,-0.2 0.739 89.7 166.3 67.4 22.6 26.9 39.7 85.7 72 75 A F < - 0 0 83 -3,-2.3 7,-2.2 6,-0.2 2,-0.4 -0.566 44.0-112.1 -72.9 128.2 26.1 42.0 88.6 73 76 A P E +D 78 0B 92 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.459 46.6 170.1 -64.5 117.5 24.4 45.3 87.5 74 77 A F E > S-D 77 0B 17 3,-2.6 3,-2.4 -2,-0.4 -59,-0.4 -0.995 70.1 -12.6-134.7 124.1 26.9 48.1 88.1 75 78 A Y T 3 S- 0 0 57 -2,-0.4 -1,-0.1 1,-0.3 -57,-0.0 0.920 131.7 -55.8 46.2 44.3 26.4 51.6 86.7 76 79 A D T 3 S+ 0 0 155 1,-0.1 -1,-0.3 -61,-0.1 -62,-0.0 0.425 118.9 102.4 71.7 2.5 23.6 49.9 84.7 77 80 A K E < S-D 74 0B 68 -3,-2.4 -3,-2.6 -5,-0.1 2,-0.7 -0.937 77.5-112.2-121.2 143.2 25.8 47.3 83.0 78 81 A P E -D 73 0B 71 0, 0.0 -6,-0.2 0, 0.0 -7,-0.1 -0.572 38.1-130.6 -72.3 108.5 26.1 43.6 83.7 79 82 A M - 0 0 1 -7,-2.2 -8,-2.0 -2,-0.7 2,-0.5 -0.332 16.8-152.0 -59.7 138.7 29.6 43.2 85.1 80 83 A R E -B 12 0A 112 -68,-2.0 -68,-2.8 -10,-0.2 2,-0.4 -0.984 17.6-171.0-118.7 121.5 31.6 40.4 83.3 81 84 A I E +B 11 0A 5 -2,-0.5 2,-0.3 -70,-0.2 -70,-0.2 -0.916 17.5 150.9-122.2 144.4 34.3 38.7 85.5 82 85 A Q E -B 10 0A 76 -72,-2.0 -72,-2.7 -2,-0.4 2,-0.3 -0.832 51.2 -84.9-147.8 179.3 37.1 36.2 85.0 83 86 A Y E -B 9 0A 28 -74,-0.3 -74,-0.2 -2,-0.3 -80,-0.1 -0.712 53.1-104.3 -90.6 145.2 40.5 35.6 86.5 84 87 A A - 0 0 4 -76,-2.9 -76,-0.1 -2,-0.3 -80,-0.1 -0.330 26.6-119.3 -65.7 155.9 43.3 37.7 85.1 85 88 A K S S+ 0 0 166 -82,-0.1 2,-0.3 1,-0.1 -81,-0.2 0.899 90.3 12.5 -65.4 -40.3 45.7 35.9 82.7 86 89 A T S S- 0 0 104 -83,-0.1 -78,-0.1 1,-0.0 -2,-0.1 -0.858 92.1 -78.2-134.5 171.0 48.7 36.5 84.9 87 90 A D - 0 0 78 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.314 43.8-115.5 -68.4 148.9 49.7 37.7 88.3 88 91 A S >> - 0 0 15 1,-0.1 4,-2.0 -4,-0.0 3,-1.7 -0.573 27.8-114.6 -80.8 145.2 49.7 41.4 89.2 89 92 A D H 3> S+ 0 0 115 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.825 117.7 60.9 -49.1 -34.4 53.2 42.8 90.1 90 93 A I H 34 S+ 0 0 55 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.831 105.5 47.0 -62.8 -34.1 51.9 43.4 93.6 91 94 A I H X> S+ 0 0 3 -3,-1.7 4,-1.6 2,-0.2 3,-0.8 0.906 113.2 48.1 -74.1 -42.1 51.3 39.7 93.9 92 95 A A H 3< S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.926 104.5 59.1 -64.3 -45.0 54.8 38.9 92.5 93 96 A K T 3< S+ 0 0 168 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.696 122.4 26.1 -58.7 -16.9 56.5 41.4 94.8 94 97 A M T <4 0 0 117 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.745 360.0 360.0-105.0 -81.1 55.1 39.3 97.7 95 98 A K < 0 0 157 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.491 360.0 360.0 -73.7 360.0 54.5 35.8 96.6