==== 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 12-JAN-07 2OJ3 . 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) . 5925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 65.3 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 . 21 22.1 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 . 8 8.4 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 . 22 23.2 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 1 0 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 1 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 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 0 164 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.7 41.6 29.5 76.3 2 5 A E - 0 0 140 1,-0.1 2,-0.1 80,-0.0 80,-0.0 -0.296 360.0-122.3 -59.3 138.0 40.1 29.7 79.8 3 6 A T - 0 0 38 80,-0.1 -1,-0.1 1,-0.1 82,-0.1 -0.424 18.0-118.7 -84.4 159.1 42.4 31.2 82.4 4 7 A R - 0 0 164 81,-0.2 -1,-0.1 1,-0.2 79,-0.0 -0.518 49.0 -70.2 -90.0 162.8 43.7 29.5 85.6 5 8 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.172 58.2 177.7 -54.4 143.0 42.9 30.9 89.1 6 9 A N - 0 0 9 53,-0.2 50,-0.1 -3,-0.1 78,-0.1 -0.991 44.5-120.4-150.4 150.4 44.7 34.1 90.0 7 10 A H S S+ 0 0 17 -2,-0.3 49,-2.0 50,-0.1 2,-0.4 0.776 102.3 65.7 -59.7 -26.4 44.9 36.5 92.9 8 11 A T E S-A 55 0A 0 47,-0.2 76,-2.7 78,-0.2 2,-0.3 -0.841 70.8-155.9-104.8 133.5 43.7 39.1 90.4 9 12 A I E -AB 54 83A 0 45,-2.3 45,-1.4 -2,-0.4 2,-0.6 -0.811 11.8-141.6-104.2 148.0 40.4 39.2 88.6 10 13 A Y E -AB 53 82A 43 72,-2.1 72,-1.9 -2,-0.3 2,-0.4 -0.947 18.2-168.3-112.2 120.1 40.0 41.0 85.3 11 14 A I E +AB 52 81A 0 41,-3.3 41,-2.7 -2,-0.6 2,-0.3 -0.862 12.5 162.2-109.8 139.4 36.7 42.9 84.8 12 15 A N E +AB 51 80A 31 68,-2.1 68,-2.2 -2,-0.4 39,-0.2 -0.882 47.3 65.5-144.7 177.4 35.5 44.3 81.6 13 16 A N S S+ 0 0 46 37,-0.9 2,-0.3 1,-0.3 38,-0.2 0.758 70.6 155.5 74.3 27.8 32.2 45.6 80.0 14 17 A L - 0 0 3 36,-2.1 -1,-0.3 -3,-0.1 2,-0.2 -0.707 58.1 -91.3 -87.3 138.4 32.4 48.4 82.5 15 18 A N > - 0 0 35 59,-0.4 3,-1.2 -2,-0.3 35,-0.2 -0.267 36.0-155.6 -51.1 112.2 30.6 51.6 81.7 16 19 A E T 3 S+ 0 0 97 1,-0.2 -1,-0.2 -2,-0.2 34,-0.1 0.603 81.8 75.4 -69.3 -14.9 33.3 53.7 80.0 17 20 A K T 3 S+ 0 0 163 2,-0.1 2,-0.4 33,-0.0 -1,-0.2 0.529 75.9 98.1 -77.1 -3.2 31.7 57.1 80.8 18 21 A I S < S- 0 0 23 -3,-1.2 32,-0.2 1,-0.1 2,-0.1 -0.704 78.7-117.6 -89.7 133.2 32.8 56.8 84.5 19 22 A K > - 0 0 136 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.352 25.3-113.3 -68.5 147.8 36.0 58.6 85.6 20 23 A K H > S+ 0 0 100 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.859 111.6 48.8 -47.2 -51.1 38.9 56.5 86.8 21 24 A D H > S+ 0 0 97 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.882 114.0 44.5 -64.2 -40.0 38.8 57.7 90.4 22 25 A E H > S+ 0 0 90 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.897 111.3 54.8 -69.6 -41.4 35.1 57.2 90.9 23 26 A L H X S+ 0 0 8 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.897 107.6 49.7 -58.3 -43.5 35.3 53.8 89.2 24 27 A K H X S+ 0 0 61 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.892 112.8 46.5 -63.8 -40.9 38.0 52.6 91.6 25 28 A K H X S+ 0 0 132 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.922 113.8 47.6 -68.0 -45.9 36.0 53.7 94.6 26 29 A S H X S+ 0 0 31 -4,-2.9 4,-1.7 2,-0.2 5,-0.2 0.933 111.4 50.1 -61.0 -48.1 32.8 52.2 93.4 27 30 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 5,-0.2 0.882 109.3 52.0 -58.2 -40.1 34.4 48.8 92.5 28 31 A H H X S+ 0 0 89 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.3 0.871 103.7 60.5 -64.1 -35.5 36.0 48.7 95.9 29 32 A A H < S+ 0 0 69 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.937 114.4 31.8 -57.5 -50.4 32.6 49.3 97.4 30 33 A I H < S+ 0 0 37 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.734 123.9 43.8 -84.3 -21.3 31.1 46.2 96.0 31 34 A F H >< S+ 0 0 0 -4,-2.2 3,-1.7 -5,-0.2 4,-0.2 0.652 88.2 83.5 -98.4 -16.3 34.1 43.9 96.0 32 35 A S G >< S+ 0 0 51 -4,-2.0 3,-2.5 1,-0.3 -1,-0.1 0.862 78.6 67.3 -57.6 -39.9 35.7 44.5 99.4 33 36 A R G 3 S+ 0 0 176 -4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.588 89.3 68.5 -58.9 -8.9 33.5 42.1 101.3 34 37 A F G < S- 0 0 15 -3,-1.7 -1,-0.3 1,-0.4 2,-0.2 0.605 120.3 -72.3 -85.4 -11.9 35.2 39.3 99.4 35 38 A G S < S- 0 0 24 -3,-2.5 -1,-0.4 -4,-0.2 0, 0.0 -0.751 75.1 -28.6 141.5 171.1 38.5 39.9 101.2 36 39 A Q - 0 0 115 -2,-0.2 21,-2.2 -3,-0.1 2,-0.5 -0.209 53.6-149.8 -54.4 139.1 41.4 42.3 101.4 37 40 A I E -C 56 0A 27 19,-0.2 19,-0.2 1,-0.1 3,-0.1 -0.960 11.9-167.1-114.7 123.8 42.2 44.2 98.1 38 41 A L E - 0 0 51 17,-2.9 2,-0.3 -2,-0.5 18,-0.2 0.839 69.3 -34.4 -79.4 -30.6 45.7 45.2 97.4 39 42 A D E -C 55 0A 66 16,-1.1 16,-3.2 2,-0.0 2,-0.4 -0.975 43.9-131.7-177.8 167.5 44.7 47.5 94.6 40 43 A I E -C 54 0A 6 -2,-0.3 2,-0.6 14,-0.2 14,-0.2 -0.993 23.2-155.7-135.4 122.6 42.4 48.2 91.7 41 44 A L E +C 53 0A 66 12,-2.3 12,-2.2 -2,-0.4 2,-0.3 -0.915 19.6 166.2-110.3 118.7 43.9 49.2 88.5 42 45 A V E +C 52 0A 13 -2,-0.6 2,-0.3 10,-0.2 10,-0.1 -0.905 6.6 176.2-127.7 154.0 41.9 51.3 86.0 43 46 A S - 0 0 50 8,-0.5 8,-0.4 5,-0.4 7,-0.3 -0.972 24.4-152.5-152.7 158.4 42.9 53.2 82.9 44 47 A R + 0 0 98 -2,-0.3 5,-0.2 5,-0.1 -1,-0.0 0.364 51.8 126.5-120.1 6.0 41.1 55.1 80.2 45 48 A S S > S- 0 0 58 1,-0.1 4,-1.4 3,-0.1 -2,-0.1 -0.050 78.0-100.5 -54.5 165.8 43.4 54.8 77.3 46 49 A L T 4 S+ 0 0 142 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.901 122.2 44.9 -59.8 -42.2 41.9 53.4 74.1 47 50 A K T 4 S+ 0 0 172 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.857 121.7 35.8 -71.8 -35.0 43.2 49.9 74.7 48 51 A M T >4 S+ 0 0 54 2,-0.0 3,-1.1 3,-0.0 -5,-0.4 0.410 81.5 119.4-105.0 3.2 42.3 49.7 78.4 49 52 A R T 3< S+ 0 0 93 -4,-1.4 -5,-0.1 1,-0.2 -33,-0.1 -0.316 74.9 26.6 -67.8 152.5 39.0 51.5 78.9 50 53 A G T 3 S+ 0 0 12 -7,-0.3 -36,-2.1 1,-0.2 -37,-0.9 0.596 108.1 90.9 74.8 11.0 36.0 49.6 80.2 51 54 A Q E < -A 12 0A 32 -3,-1.1 -8,-0.5 -8,-0.4 2,-0.3 -0.908 49.6-178.0-134.1 161.5 38.3 47.1 82.0 52 55 A A E -AC 11 42A 1 -41,-2.7 -41,-3.3 -2,-0.3 2,-0.6 -0.989 22.3-138.6-161.1 149.5 39.8 46.8 85.4 53 56 A F E -AC 10 41A 58 -12,-2.2 -12,-2.3 -2,-0.3 2,-0.7 -0.910 15.1-168.0-115.7 105.6 42.0 44.6 87.5 54 57 A V E -AC 9 40A 0 -45,-1.4 -45,-2.3 -2,-0.6 2,-0.9 -0.816 14.3-152.3 -90.0 116.3 40.9 44.1 91.1 55 58 A I E -AC 8 39A 0 -16,-3.2 -17,-2.9 -2,-0.7 -16,-1.1 -0.787 9.8-164.3 -99.1 106.2 43.8 42.6 92.9 56 59 A F E - C 0 37A 0 -49,-2.0 -19,-0.2 -2,-0.9 -20,-0.1 -0.602 21.7-136.0 -86.1 145.1 42.8 40.4 95.9 57 60 A K S S+ 0 0 81 -21,-2.2 2,-0.4 -2,-0.2 -20,-0.1 0.819 91.9 38.5 -67.6 -32.8 45.3 39.3 98.5 58 61 A E S >> S- 0 0 112 -22,-0.4 4,-1.5 -51,-0.1 3,-0.9 -0.981 75.5-135.3-125.3 131.5 44.0 35.7 98.6 59 62 A V H 3> S+ 0 0 42 -2,-0.4 4,-1.2 1,-0.3 -53,-0.2 0.762 104.3 64.1 -53.8 -29.9 42.9 33.6 95.6 60 63 A S H >> S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 3,-0.7 0.957 103.1 48.8 -59.1 -47.2 39.8 32.4 97.5 61 64 A S H <> S+ 0 0 11 -3,-0.9 4,-2.3 1,-0.3 5,-0.3 0.934 108.6 52.4 -55.7 -50.7 38.6 36.0 97.6 62 65 A A H 3X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -1,-0.3 0.760 110.4 52.7 -59.7 -21.4 39.2 36.3 93.9 63 66 A T H < S+ 0 0 8 -4,-2.7 3,-2.8 -5,-0.4 -1,-0.2 0.452 78.9 132.0 -95.1 -2.1 29.5 39.1 91.1 70 73 A Q T 3 S+ 0 0 92 -4,-0.5 10,-0.2 -5,-0.3 9,-0.1 -0.276 85.3 5.9 -52.8 129.0 29.6 37.7 87.6 71 74 A G T 3 S+ 0 0 35 8,-2.7 -1,-0.3 1,-0.2 9,-0.1 0.562 89.6 163.1 73.1 8.3 27.0 39.7 85.5 72 75 A F < - 0 0 78 -3,-2.8 7,-2.2 7,-0.3 2,-0.3 -0.391 45.0-114.3 -63.9 128.5 26.3 42.1 88.4 73 76 A P E +D 78 0B 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.501 45.4 168.9 -65.1 126.1 24.6 45.3 87.1 74 77 A F E > -D 77 0B 18 3,-2.3 3,-2.0 -2,-0.3 -59,-0.4 -0.966 69.3 -11.9-144.0 121.2 27.0 48.2 87.6 75 78 A Y T 3 S- 0 0 54 -2,-0.4 -1,-0.1 1,-0.3 -57,-0.0 0.919 131.0 -56.4 51.0 42.9 26.4 51.7 86.2 76 79 A D T 3 S+ 0 0 157 1,-0.2 -1,-0.3 -61,-0.0 -62,-0.0 0.510 118.8 103.7 70.0 6.5 23.7 50.0 84.1 77 80 A K E < S-D 74 0B 67 -3,-2.0 -3,-2.3 -5,-0.1 2,-0.7 -0.944 76.4-112.9-124.0 144.4 26.0 47.4 82.5 78 81 A P E -D 73 0B 78 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.628 36.3-131.8 -75.2 110.5 26.4 43.6 83.2 79 82 A M - 0 0 1 -7,-2.2 -8,-2.7 -2,-0.7 2,-0.5 -0.436 16.5-152.0 -62.8 126.4 29.9 43.3 84.7 80 83 A R E -B 12 0A 107 -68,-2.2 -68,-2.1 -2,-0.2 2,-0.4 -0.911 16.0-164.5-104.9 124.2 31.9 40.4 83.0 81 84 A I E +B 11 0A 7 -2,-0.5 2,-0.2 -70,-0.2 -70,-0.2 -0.881 18.7 152.6-119.0 142.7 34.5 38.8 85.2 82 85 A Q E -B 10 0A 76 -72,-1.9 -72,-2.1 -2,-0.4 2,-0.4 -0.795 47.8 -90.6-142.3-178.2 37.5 36.4 84.6 83 86 A Y E -B 9 0A 33 -74,-0.3 -74,-0.3 -2,-0.2 -80,-0.1 -0.798 50.9-104.7 -98.0 145.9 40.8 35.7 86.2 84 87 A A - 0 0 6 -76,-2.7 -76,-0.1 -2,-0.4 -80,-0.1 -0.426 25.6-125.8 -68.5 147.9 43.7 37.8 85.0 85 88 A K S S+ 0 0 168 -82,-0.1 -81,-0.2 -2,-0.1 2,-0.1 0.979 86.2 11.7 -59.7 -60.7 46.1 35.9 82.6 86 89 A T S S- 0 0 106 1,-0.1 -78,-0.2 -80,-0.0 2,-0.2 -0.388 96.4 -76.2-108.5-170.6 49.4 36.6 84.4 87 90 A D - 0 0 68 -2,-0.1 2,-0.4 -80,-0.1 -1,-0.1 -0.505 38.2-118.9 -87.8 157.6 50.2 38.0 87.9 88 91 A S >> - 0 0 17 -2,-0.2 3,-2.3 1,-0.1 4,-1.7 -0.753 26.9-120.4 -91.1 141.4 50.0 41.6 88.9 89 92 A D H 3> S+ 0 0 113 -2,-0.4 4,-3.0 1,-0.3 -1,-0.1 0.810 112.6 64.3 -52.2 -33.1 53.4 43.0 90.0 90 93 A I H 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.808 109.1 42.0 -60.1 -28.8 52.1 43.9 93.4 91 94 A I H X> S+ 0 0 3 -3,-2.3 4,-1.6 3,-0.1 3,-1.1 0.796 110.7 54.2 -87.1 -33.1 51.6 40.1 93.8 92 95 A A H 3< S+ 0 0 56 -4,-1.7 -2,-0.2 1,-0.3 2,-0.2 0.966 98.1 64.4 -63.0 -50.6 54.9 39.2 92.2 93 96 A K T 3< S+ 0 0 171 -4,-3.0 -1,-0.3 2,-0.2 -2,-0.1 0.299 123.3 18.2 -57.5 12.2 56.7 41.4 94.7 94 97 A M T <4 0 0 123 -3,-1.1 -2,-0.2 -2,-0.2 -3,-0.1 0.210 360.0 360.0-140.9 -82.5 55.4 39.0 97.3 95 98 A K < 0 0 152 -4,-1.6 -2,-0.2 -5,-0.1 -4,-0.1 -0.441 360.0 360.0 -78.8 360.0 54.3 35.7 96.0