==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RNA BINDING PROTEIN/RNA 27-AUG-99 1CX0 . COMPND 2 MOLECULE: HDV RIBOZYME SELF-CLEAVED; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS DELTA VIRUS; . AUTHOR A.R.FERRE-D'AMARE,K.ZHOU,J.A.DOUDNA . 95 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 66.3 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 . 9 9.5 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 0 159 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -99.8 9.3 48.7 15.8 2 5 A E - 0 0 147 80,-0.1 2,-0.2 83,-0.0 80,-0.1 -0.940 360.0-156.7-178.1 172.8 8.2 50.1 12.4 3 6 A T - 0 0 51 -2,-0.3 3,-0.1 1,-0.2 80,-0.1 -0.677 38.5 -31.8-147.1-162.8 5.4 52.1 10.7 4 7 A R S S- 0 0 195 -2,-0.2 -1,-0.2 1,-0.1 79,-0.0 -0.272 75.8 -85.6 -61.1 149.3 3.4 53.1 7.7 5 8 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.174 54.7 177.0 -56.9 149.1 5.2 53.1 4.3 6 9 A N - 0 0 10 53,-0.2 50,-0.1 -3,-0.1 56,-0.1 -0.976 43.2-118.7-152.5 158.8 7.1 56.2 3.4 7 10 A H S S+ 0 0 47 -2,-0.3 49,-2.6 55,-0.1 2,-0.4 0.752 100.0 65.6 -70.7 -25.6 9.4 57.5 0.6 8 11 A T E S-A 55 0A 0 47,-0.2 76,-2.2 76,-0.1 2,-0.4 -0.799 71.7-152.3-101.1 140.3 12.2 57.9 3.1 9 12 A I E -AB 54 83A 0 45,-2.2 45,-2.3 -2,-0.4 2,-0.6 -0.915 10.3-140.5-111.3 141.1 13.9 55.1 5.0 10 13 A Y E -AB 53 82A 46 72,-3.0 72,-1.9 -2,-0.4 2,-0.4 -0.897 20.3-171.2-103.0 113.5 15.5 55.5 8.5 11 14 A I E +AB 52 81A 0 41,-3.6 41,-2.7 -2,-0.6 2,-0.3 -0.862 12.1 161.0-108.0 137.3 18.7 53.7 9.0 12 15 A N E +AB 51 80A 27 68,-2.5 68,-2.5 -2,-0.4 39,-0.2 -0.875 45.0 66.7-144.9 177.0 20.5 53.4 12.3 13 16 A N S S+ 0 0 52 37,-0.7 2,-0.2 -2,-0.3 38,-0.1 0.804 72.5 156.3 73.5 31.3 23.1 51.3 14.1 14 17 A L - 0 0 3 36,-1.9 2,-0.5 -3,-0.1 -1,-0.3 -0.599 56.0 -89.0 -87.9 151.2 25.6 52.8 11.6 15 18 A N > - 0 0 31 59,-0.3 3,-1.2 -2,-0.2 35,-0.2 -0.450 35.1-158.9 -63.8 113.3 29.3 53.1 12.4 16 19 A E T 3 S+ 0 0 100 -2,-0.5 -1,-0.2 1,-0.2 34,-0.1 0.592 81.8 72.1 -73.8 -9.8 29.8 56.4 14.1 17 20 A K T 3 S+ 0 0 191 2,-0.1 2,-0.3 33,-0.0 -1,-0.2 0.590 77.9 97.9 -81.2 -8.7 33.5 56.7 13.3 18 21 A I S < S- 0 0 24 -3,-1.2 32,-0.2 1,-0.1 -4,-0.0 -0.641 78.3-117.4 -86.1 133.1 32.7 57.4 9.6 19 22 A K > - 0 0 145 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.233 23.1-113.5 -65.5 156.2 32.7 61.0 8.4 20 23 A K H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.924 111.5 48.0 -59.0 -52.3 29.6 62.6 7.0 21 24 A D H > S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.899 115.5 44.9 -58.3 -42.7 30.7 63.0 3.4 22 25 A E H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.921 110.8 53.2 -66.7 -47.0 32.0 59.4 3.1 23 26 A L H X S+ 0 0 9 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.908 108.1 50.7 -57.4 -42.9 29.0 57.9 4.7 24 27 A K H X S+ 0 0 65 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.882 112.6 47.6 -62.6 -37.3 26.6 59.6 2.3 25 28 A K H X S+ 0 0 130 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.887 109.7 49.6 -72.7 -40.8 28.6 58.4 -0.6 26 29 A S H X S+ 0 0 28 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.819 109.7 54.2 -67.9 -29.5 28.9 54.8 0.5 27 30 A L H X S+ 0 0 0 -4,-1.7 4,-3.1 -5,-0.3 5,-0.3 0.906 107.5 47.9 -71.9 -42.4 25.1 54.7 1.1 28 31 A H H X S+ 0 0 98 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.933 109.2 56.5 -62.8 -41.5 24.4 56.0 -2.5 29 32 A A H < S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.885 116.0 35.3 -53.3 -43.2 26.8 53.3 -3.6 30 33 A I H < S+ 0 0 45 -4,-1.6 3,-0.3 1,-0.1 -2,-0.2 0.823 126.7 35.4 -81.6 -37.6 24.7 50.6 -1.8 31 34 A F H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.2 4,-0.3 0.582 86.9 90.9 -98.9 -11.2 21.2 51.9 -2.3 32 35 A S G >< S+ 0 0 53 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.743 79.6 67.0 -58.1 -23.1 21.2 53.6 -5.8 33 36 A R G 3 S+ 0 0 165 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.710 89.4 63.8 -73.0 -18.7 20.1 50.3 -7.3 34 37 A F G < S- 0 0 25 -3,-2.0 2,-0.2 1,-0.3 -1,-0.2 0.578 120.3 -66.2 -82.3 -6.8 16.7 50.4 -5.6 35 38 A G S < S- 0 0 23 -3,-1.0 -1,-0.3 -4,-0.3 2,-0.1 -0.828 76.2 -32.5 145.5 175.5 15.6 53.6 -7.5 36 39 A Q - 0 0 109 -2,-0.2 21,-2.0 -3,-0.1 2,-0.5 -0.399 55.9-144.3 -64.0 137.4 16.3 57.3 -7.9 37 40 A I E -C 56 0A 22 19,-0.2 19,-0.2 1,-0.2 3,-0.1 -0.927 14.1-169.2-108.9 123.9 17.5 58.9 -4.7 38 41 A L E - 0 0 51 17,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.876 67.2 -35.6 -77.7 -41.2 16.4 62.4 -4.0 39 42 A D E -C 55 0A 64 16,-1.0 16,-2.6 2,-0.0 2,-0.4 -0.982 43.4-134.2-172.4 166.3 18.8 63.0 -1.1 40 43 A I E -C 54 0A 7 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.983 21.5-155.7-133.6 117.9 20.6 61.4 2.0 41 44 A L E +C 53 0A 73 12,-2.0 12,-1.7 -2,-0.4 2,-0.3 -0.878 19.4 168.6-100.6 128.5 20.6 63.4 5.2 42 45 A V E +C 52 0A 14 -2,-0.5 2,-0.3 10,-0.2 10,-0.1 -0.999 9.0 177.7-140.0 139.4 23.4 62.6 7.7 43 46 A S - 0 0 52 8,-0.6 8,-0.4 5,-0.5 7,-0.2 -0.975 21.2-157.9-137.9 150.3 24.5 64.4 10.9 44 47 A R + 0 0 107 -2,-0.3 5,-0.2 5,-0.2 -1,-0.0 0.310 52.5 126.1-112.2 8.4 27.2 63.6 13.3 45 48 A S S > S- 0 0 55 1,-0.1 4,-1.7 3,-0.1 -2,-0.1 -0.136 80.3 -94.3 -61.2 162.0 25.8 65.6 16.2 46 49 A L T 4 S+ 0 0 121 1,-0.2 -1,-0.1 2,-0.2 -3,-0.0 0.804 123.7 38.6 -50.4 -36.6 25.2 63.9 19.6 47 50 A K T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.0 -4,-0.0 0.845 121.5 39.7 -85.4 -36.7 21.6 63.1 18.8 48 51 A X T >4 S+ 0 0 77 -3,-0.1 3,-1.1 2,-0.0 -5,-0.5 0.446 82.0 117.5 -97.3 0.8 21.8 62.2 15.1 49 52 A R T 3< S+ 0 0 103 -4,-1.7 -5,-0.2 1,-0.2 -33,-0.1 -0.306 73.7 27.8 -69.0 151.8 25.0 60.2 14.8 50 53 A G T 3 S+ 0 0 9 1,-0.2 -36,-1.9 -7,-0.2 -37,-0.7 0.576 107.0 97.7 76.0 9.6 24.8 56.6 13.7 51 54 A Q E < -A 12 0A 32 -3,-1.1 -8,-0.6 -8,-0.4 2,-0.3 -0.939 47.2-177.2-133.6 155.2 21.6 57.4 11.7 52 55 A A E -AC 11 42A 0 -41,-2.7 -41,-3.6 -2,-0.3 2,-0.5 -0.992 17.5-148.1-151.0 149.7 20.7 58.2 8.2 53 56 A F E -AC 10 41A 65 -12,-1.7 -12,-2.0 -2,-0.3 2,-0.6 -0.979 13.4-166.5-119.0 116.2 17.6 59.1 6.1 54 57 A V E -AC 9 40A 0 -45,-2.3 -45,-2.2 -2,-0.5 2,-0.7 -0.933 9.6-154.9-108.6 115.9 17.6 58.0 2.5 55 58 A I E -AC 8 39A 1 -16,-2.6 -17,-2.9 -2,-0.6 -16,-1.0 -0.797 8.4-164.9 -96.2 109.7 14.9 59.7 0.5 56 59 A F E - C 0 37A 0 -49,-2.6 -19,-0.2 -2,-0.7 3,-0.1 -0.598 24.7-132.5 -91.3 151.7 13.6 57.8 -2.5 57 60 A K S S+ 0 0 85 -21,-2.0 2,-0.4 -2,-0.2 -1,-0.1 0.779 95.5 36.4 -71.1 -26.5 11.6 59.4 -5.3 58 61 A E S >> S- 0 0 111 -22,-0.4 4,-1.2 -51,-0.2 3,-0.9 -0.992 74.9-135.6-131.9 138.8 9.1 56.5 -5.2 59 62 A V H 3> S+ 0 0 45 -2,-0.4 4,-2.4 1,-0.3 -53,-0.2 0.760 102.8 63.8 -60.0 -30.9 7.9 54.4 -2.2 60 63 A S H 3> S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.885 101.4 53.9 -62.9 -34.4 8.3 51.1 -4.0 61 64 A S H <> S+ 0 0 13 -3,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.943 108.6 47.4 -62.6 -48.2 12.0 51.8 -4.0 62 65 A A H X S+ 0 0 0 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.892 109.8 54.5 -60.4 -40.9 12.1 52.4 -0.3 63 66 A T H X S+ 0 0 18 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.915 111.1 42.8 -62.4 -44.6 10.1 49.2 0.3 64 67 A N H X S+ 0 0 80 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.896 112.9 52.7 -69.1 -40.8 12.5 47.0 -1.6 65 68 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.877 110.3 50.2 -60.8 -38.2 15.6 48.6 -0.1 66 69 A L H < S+ 0 0 24 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.930 115.1 40.2 -67.3 -48.1 14.1 48.0 3.3 67 70 A R H >< S+ 0 0 187 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.952 121.3 43.7 -66.1 -48.8 13.4 44.3 2.8 68 71 A S H 3< S+ 0 0 63 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.906 116.8 39.8 -63.5 -51.0 16.6 43.7 1.0 69 72 A X T >< S+ 0 0 10 -4,-2.3 3,-2.2 -5,-0.3 2,-0.3 0.292 75.4 137.6 -90.0 11.0 19.2 45.6 3.0 70 73 A Q T < S+ 0 0 97 -3,-0.6 10,-0.2 -4,-0.5 9,-0.1 -0.411 84.1 0.1 -60.2 119.3 17.9 44.7 6.5 71 74 A G T 3 S+ 0 0 33 8,-2.7 -1,-0.3 -2,-0.3 9,-0.1 0.587 87.5 169.5 78.2 11.6 20.9 43.9 8.6 72 75 A F < - 0 0 79 -3,-2.2 7,-2.6 7,-0.3 2,-0.8 -0.334 42.0-114.9 -60.0 131.8 23.5 44.5 5.8 73 76 A P E +D 78 0B 94 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.598 46.2 171.1 -73.2 109.9 27.0 44.5 7.2 74 77 A F E > -D 77 0B 16 3,-2.8 3,-1.6 -2,-0.8 -59,-0.3 -0.984 68.5 -13.6-125.5 121.9 28.2 48.0 6.5 75 78 A Y T 3 S- 0 0 56 -2,-0.5 -1,-0.2 1,-0.3 -57,-0.1 0.924 132.3 -52.2 49.8 44.8 31.5 49.3 7.9 76 79 A D T 3 S+ 0 0 158 1,-0.1 -1,-0.3 -3,-0.1 -62,-0.0 0.537 119.9 99.7 70.0 12.3 31.5 46.2 10.2 77 80 A K E < S-D 74 0B 58 -3,-1.6 -3,-2.8 -5,-0.1 2,-0.7 -0.984 77.9-111.0-134.4 142.6 27.9 46.7 11.6 78 81 A P E -D 73 0B 76 0, 0.0 -6,-0.2 0, 0.0 2,-0.1 -0.584 39.3-132.9 -71.1 107.4 24.4 45.2 10.9 79 82 A X - 0 0 1 -7,-2.6 -8,-2.7 -2,-0.7 2,-0.5 -0.401 15.6-149.4 -63.5 131.3 22.5 48.1 9.4 80 83 A R E -B 12 0A 123 -68,-2.5 -68,-2.5 -10,-0.2 2,-0.4 -0.922 16.4-168.0-109.1 123.9 19.0 48.5 10.9 81 84 A I E +B 11 0A 5 -2,-0.5 2,-0.3 -70,-0.2 -70,-0.2 -0.889 17.1 155.2-120.0 142.5 16.3 49.9 8.6 82 85 A Q E -B 10 0A 48 -72,-1.9 -72,-3.0 -2,-0.4 2,-0.3 -0.878 48.5 -93.2-145.3 172.0 12.8 51.2 9.2 83 86 A Y E -B 9 0A 27 -74,-0.3 -74,-0.3 -2,-0.3 -80,-0.1 -0.695 52.9-102.8 -87.9 145.3 10.5 53.6 7.3 84 87 A A - 0 0 6 -76,-2.2 -76,-0.1 -2,-0.3 -1,-0.1 -0.403 23.6-129.3 -67.4 149.5 10.8 57.2 8.6 85 88 A K S S+ 0 0 169 -82,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.794 87.7 30.2 -71.0 -29.5 8.0 58.3 10.8 86 89 A T S S- 0 0 106 -80,-0.0 -78,-0.1 1,-0.0 2,-0.1 -0.902 92.4 -94.7-129.8 158.0 7.3 61.5 9.0 87 90 A D - 0 0 80 -2,-0.3 2,-0.2 1,-0.1 -2,-0.1 -0.397 42.5-116.9 -69.5 146.1 7.6 62.7 5.3 88 91 A S >> - 0 0 21 1,-0.1 4,-1.9 -2,-0.1 3,-0.9 -0.521 23.7-113.9 -82.1 154.9 10.9 64.5 4.5 89 92 A D H 3> S+ 0 0 117 1,-0.3 4,-2.6 2,-0.2 -1,-0.1 0.826 115.2 60.1 -57.0 -36.1 10.6 68.2 3.4 90 93 A I H 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.837 109.6 42.9 -61.9 -32.8 11.8 67.4 -0.1 91 94 A I H X> S+ 0 0 8 -3,-0.9 4,-1.1 1,-0.1 3,-1.0 0.829 113.5 51.0 -80.4 -35.8 8.8 65.0 -0.5 92 95 A A H 3< S+ 0 0 57 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.862 100.1 64.7 -69.7 -35.7 6.4 67.5 1.1 93 96 A K T 3< S+ 0 0 162 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 0.422 106.8 44.1 -69.3 2.3 7.6 70.3 -1.2 94 97 A X T <4 0 0 115 -3,-1.0 -2,-0.2 1,-0.3 -1,-0.1 0.781 360.0 360.0-107.0 -74.1 6.3 68.4 -4.2 95 98 A A < 0 0 146 -4,-1.1 -1,-0.3 0, 0.0 0, 0.0 -0.337 360.0 360.0-101.9 360.0 2.8 66.9 -3.6