==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-06 2DUC . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR H.WANG,Y.T.KIM,T.MURAMATSU,C.TAKEMOTO,M.SHIROUZU,S.YOKOYAMA, . 612 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 23.4 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 . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 2.3 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 . 56 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 4 3 2 0 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 10 1 5 4 2 6 0 2 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 0 0 0 0 2 0 0 2 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 S 0 0 117 0, 0.0 448,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 148.8 38.3 -19.3 34.0 2 2 A G + 0 0 5 446,-0.2 2,-0.2 1,-0.1 447,-0.2 -0.060 360.0 169.8 133.0 126.4 37.4 -16.7 31.3 3 3 A F + 0 0 13 -2,-0.1 2,-0.3 444,-0.1 443,-0.2 -0.784 11.9 131.9-168.1 121.0 39.1 -15.4 28.2 4 4 A R - 0 0 35 -2,-0.2 2,-0.2 441,-0.1 441,-0.0 -0.981 59.6 -71.5-161.0 163.5 38.3 -13.2 25.1 5 5 A K + 0 0 64 -2,-0.3 2,-0.3 122,-0.0 286,-0.1 -0.408 59.3 172.0 -64.3 122.4 39.6 -10.3 23.1 6 6 A M - 0 0 25 -2,-0.2 2,-0.2 427,-0.1 427,-0.2 -0.973 28.8-139.1-135.5 151.4 39.2 -7.1 25.1 7 7 A A B -A 432 0A 6 425,-2.6 425,-2.5 -2,-0.3 120,-0.1 -0.661 38.6 -99.1 -98.6 160.0 40.2 -3.5 24.8 8 8 A F - 0 0 5 -2,-0.2 423,-0.2 423,-0.2 -1,-0.1 -0.495 52.2 -85.6 -74.3 154.2 41.4 -1.6 27.9 9 9 A P - 0 0 3 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.424 44.0-152.5 -58.6 133.0 38.8 0.7 29.6 10 10 A S >> + 0 0 0 1,-0.2 4,-2.7 2,-0.1 3,-1.3 0.484 64.3 102.6 -94.5 -2.6 39.1 3.9 27.5 11 11 A G H 3> S+ 0 0 16 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.855 78.2 54.1 -48.8 -48.6 38.0 6.5 30.0 12 12 A K H 34 S+ 0 0 54 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.807 115.3 40.5 -61.6 -27.5 41.5 7.8 30.9 13 13 A V H X4 S+ 0 0 0 -3,-1.3 3,-2.2 2,-0.2 4,-0.4 0.823 106.2 62.9 -88.7 -35.6 42.2 8.4 27.2 14 14 A E H >< S+ 0 0 28 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.893 97.7 59.5 -53.8 -40.2 38.7 9.8 26.4 15 15 A G T 3< S+ 0 0 16 -4,-1.9 82,-0.3 1,-0.2 -1,-0.3 0.560 104.3 51.6 -67.5 -6.8 39.5 12.6 28.8 16 16 A C T < S+ 0 0 0 -3,-2.2 15,-3.6 81,-0.1 2,-0.3 0.411 83.3 109.1-107.5 -2.4 42.5 13.6 26.7 17 17 A M E < +J 30 0B 14 -3,-1.4 2,-0.3 -4,-0.4 13,-0.2 -0.647 38.4 163.5 -86.6 136.0 40.9 13.9 23.3 18 18 A V E -J 29 0B 2 11,-2.3 11,-2.7 -2,-0.3 2,-0.4 -0.870 36.4-111.0-139.4 167.9 40.4 17.2 21.6 19 19 A Q E -JK 28 69B 36 50,-2.8 50,-2.7 -2,-0.3 2,-0.5 -0.883 26.1-164.4-105.4 134.1 39.7 18.6 18.2 20 20 A V E -JK 27 68B 0 7,-2.9 7,-2.3 -2,-0.4 2,-0.4 -0.986 7.9-172.8-121.4 125.4 42.4 20.6 16.3 21 21 A T E +JK 26 67B 20 46,-3.0 46,-2.9 -2,-0.5 2,-0.5 -0.963 15.9 177.6-125.4 135.0 41.5 22.7 13.3 22 22 A C E > S-JK 25 66B 9 3,-2.5 3,-2.3 -2,-0.4 2,-0.4 -0.944 70.2 -57.4-130.7 103.5 43.7 24.6 10.9 23 23 A G T 3 S- 0 0 71 42,-0.5 20,-0.0 -2,-0.5 44,-0.0 -0.410 122.6 -12.0 63.4-116.6 41.6 26.3 8.2 24 24 A T T 3 S+ 0 0 117 -2,-0.4 2,-0.6 21,-0.2 -1,-0.3 0.381 118.0 91.5 -99.5 2.3 39.6 23.6 6.5 25 25 A T E < +J 22 0B 29 -3,-2.3 -3,-2.5 17,-0.2 2,-0.4 -0.878 50.9 177.9-104.0 123.5 41.4 20.6 8.0 26 26 A T E +J 21 0B 46 -2,-0.6 2,-0.2 -5,-0.2 -5,-0.2 -0.987 11.5 146.8-125.6 132.2 40.2 19.2 11.3 27 27 A L E -J 20 0B 6 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.2 -0.819 44.5 -77.3-145.5-172.5 41.6 16.2 13.1 28 28 A N E -J 19 0B 0 117,-2.7 2,-0.3 -2,-0.2 -9,-0.2 -0.629 34.7-166.9 -98.0 152.4 42.1 14.9 16.6 29 29 A G E -J 18 0B 0 -11,-2.7 -11,-2.3 -2,-0.2 2,-0.6 -0.933 19.8-127.9-133.6 157.9 44.7 15.9 19.2 30 30 A L E -JL 17 37B 0 7,-2.7 7,-2.8 -2,-0.3 2,-0.7 -0.939 21.5-155.3-108.7 120.0 45.9 14.4 22.6 31 31 A W E + L 0 36B 19 -15,-3.6 2,-0.4 -2,-0.6 5,-0.2 -0.845 21.4 164.6-104.5 111.4 45.8 16.8 25.5 32 32 A L E > - L 0 35B 1 3,-2.4 3,-2.2 -2,-0.7 -2,-0.1 -0.995 65.6 -41.5-129.2 124.5 48.2 16.1 28.3 33 33 A D T 3 S- 0 0 73 -2,-0.4 62,-2.4 62,-0.4 60,-0.1 -0.328 124.4 -25.9 50.8-131.6 49.1 18.7 30.9 34 34 A D T 3 S+ 0 0 61 60,-0.3 57,-2.5 -3,-0.1 2,-0.4 0.166 120.8 87.7 -98.9 27.7 49.5 21.9 28.9 35 35 A T E < -LM 32 90B 18 -3,-2.2 -3,-2.4 55,-0.2 2,-0.5 -0.942 56.2-157.4-124.7 140.8 50.4 20.4 25.5 36 36 A V E -LM 31 89B 0 53,-2.5 53,-2.9 -2,-0.4 2,-0.4 -0.987 13.8-158.1-114.8 121.8 48.3 19.1 22.7 37 37 A Y E +LM 30 88B 9 -7,-2.8 -7,-2.7 -2,-0.5 51,-0.2 -0.850 23.6 151.4-100.2 136.8 49.9 16.6 20.4 38 38 A C E - M 0 87B 0 49,-1.8 49,-2.6 -2,-0.4 -9,-0.1 -0.988 50.6 -75.5-157.4 163.3 48.6 16.1 16.8 39 39 A P E > - M 0 86B 0 0, 0.0 3,-1.6 0, 0.0 47,-0.3 -0.380 38.0-134.2 -61.3 134.1 49.7 15.0 13.3 40 40 A R G > S+ 0 0 45 45,-2.6 3,-1.8 1,-0.3 46,-0.1 0.776 98.2 76.8 -63.5 -20.9 51.7 17.8 11.6 41 41 A H G > + 0 0 22 44,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.445 64.9 93.9 -71.7 7.7 49.6 17.3 8.4 42 42 A V G < S+ 0 0 0 -3,-1.6 -20,-0.3 1,-0.3 -1,-0.3 0.768 80.6 60.0 -66.5 -21.8 46.8 19.2 10.1 43 43 A I G < S+ 0 0 11 -3,-1.8 2,-0.5 -4,-0.1 -1,-0.3 -0.063 87.0 120.9 -93.6 33.1 48.3 22.2 8.4 44 44 A C < - 0 0 9 -3,-1.3 3,-0.4 1,-0.1 4,-0.2 -0.889 66.5 -92.7-119.2 127.1 47.8 20.7 4.9 45 45 A T - 0 0 107 -2,-0.5 2,-0.5 1,-0.2 -21,-0.2 0.425 68.3 -54.8 16.3-146.9 45.9 21.8 1.7 46 46 A A S S- 0 0 58 -21,-0.0 -1,-0.2 2,-0.0 3,-0.1 -0.849 108.4 -31.1-127.6 96.3 42.3 20.8 1.0 47 47 A E S S+ 0 0 189 -2,-0.5 2,-0.3 -3,-0.4 -2,-0.1 0.487 130.0 51.4 75.8 5.3 41.7 17.0 0.9 48 48 A D - 0 0 95 -4,-0.2 -1,-0.1 2,-0.0 -2,-0.0 -0.974 49.9-173.4-160.7 171.7 45.3 16.4 -0.3 49 49 A M - 0 0 23 -2,-0.3 140,-1.2 -4,-0.1 2,-0.8 -0.335 7.1-173.3-175.9 83.8 49.0 17.1 0.2 50 50 A L S S- 0 0 129 1,-0.2 140,-0.1 138,-0.2 138,-0.1 -0.764 77.4 -24.9 -91.0 110.0 51.7 15.9 -2.3 51 51 A N S S- 0 0 121 -2,-0.8 -1,-0.2 1,-0.1 2,-0.1 0.961 82.3-168.5 55.4 62.0 55.2 16.6 -1.0 52 52 A P - 0 0 27 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.434 23.7-129.1 -78.1 154.6 54.4 19.4 1.4 53 53 A N > - 0 0 99 1,-0.2 4,-2.6 -2,-0.1 3,-0.2 -0.810 28.6-178.0-104.7 89.4 57.3 21.4 3.0 54 54 A Y H > S+ 0 0 12 -2,-0.9 4,-2.6 1,-0.2 5,-0.2 0.897 77.2 51.5 -54.9 -51.3 56.3 21.2 6.7 55 55 A E H > S+ 0 0 151 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.875 115.2 45.6 -56.9 -35.5 59.1 23.4 8.2 56 56 A D H > S+ 0 0 90 -3,-0.2 4,-0.8 2,-0.2 3,-0.4 0.915 111.9 49.9 -74.0 -44.0 58.2 26.1 5.6 57 57 A L H >< S+ 0 0 38 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.858 103.8 59.1 -63.7 -37.2 54.4 25.8 6.2 58 58 A L H >< S+ 0 0 19 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.852 95.8 64.4 -62.3 -33.3 54.7 26.1 9.9 59 59 A I H 3< S+ 0 0 139 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.873 99.4 52.0 -56.3 -40.6 56.5 29.5 9.5 60 60 A R T << S+ 0 0 181 -4,-0.8 2,-0.5 -3,-0.6 -1,-0.3 0.117 95.6 94.8 -84.9 22.0 53.3 31.0 8.1 61 61 A K < - 0 0 48 -3,-1.8 2,-0.3 3,-0.0 -18,-0.0 -0.958 55.7-165.7-118.8 130.9 51.3 29.7 11.0 62 62 A S >> - 0 0 63 -2,-0.5 3,-1.8 1,-0.1 4,-0.5 -0.713 38.4-106.7-107.1 162.8 50.5 31.7 14.1 63 63 A N G >4 S+ 0 0 52 1,-0.3 3,-1.4 -2,-0.3 14,-0.2 0.890 122.8 58.7 -53.7 -39.0 49.2 30.4 17.4 64 64 A H G 34 S+ 0 0 178 1,-0.3 -1,-0.3 12,-0.1 14,-0.0 0.698 90.1 72.4 -65.5 -17.9 45.9 31.9 16.5 65 65 A S G <4 S+ 0 0 42 -3,-1.8 2,-0.7 1,-0.1 -42,-0.5 0.785 86.5 75.5 -65.9 -28.4 45.8 29.7 13.4 66 66 A F E << -K 22 0B 8 -3,-1.4 2,-0.7 -4,-0.5 11,-0.4 -0.786 65.0-164.8 -93.5 115.1 45.2 26.7 15.5 67 67 A L E -K 21 0B 77 -46,-2.9 -46,-3.0 -2,-0.7 2,-0.5 -0.876 11.2-174.3 -98.2 118.0 41.7 26.2 16.9 68 68 A V E -KN 20 75B 0 -2,-0.7 7,-3.1 7,-0.6 2,-0.5 -0.964 0.7-171.3-115.7 127.2 41.7 23.7 19.6 69 69 A Q E -KN 19 74B 47 -50,-2.7 -50,-2.8 -2,-0.5 2,-0.7 -0.979 14.0-170.3-125.8 129.3 38.4 22.6 21.2 70 70 A A E > S- N 0 73B 18 3,-3.2 3,-2.1 -2,-0.5 2,-0.3 -0.928 74.5 -50.1-113.2 101.2 38.0 20.4 24.2 71 71 A G T 3 S- 0 0 67 -2,-0.7 -52,-0.1 1,-0.3 50,-0.0 -0.552 123.5 -24.2 66.7-128.6 34.3 19.5 24.4 72 72 A N T 3 S+ 0 0 163 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.225 120.4 99.7-100.1 16.5 32.6 22.9 24.0 73 73 A V E < -N 70 0B 88 -3,-2.1 -3,-3.2 2,-0.0 2,-0.4 -0.886 66.5-138.9-108.8 132.4 35.6 24.8 25.3 74 74 A Q E -N 69 0B 95 -2,-0.5 2,-0.6 -5,-0.2 -5,-0.2 -0.701 16.6-147.8 -84.7 131.3 38.1 26.6 23.1 75 75 A L E -N 68 0B 9 -7,-3.1 -7,-0.6 -2,-0.4 2,-0.4 -0.918 16.2-128.3-104.5 123.1 41.7 26.1 24.4 76 76 A R - 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