==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 05-JUL-07 2QIQ . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR V.GRUM-TOKARS . 301 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 21.9 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 27 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 2 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 3 0 4 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 114 0, 0.0 2,-0.2 0, 0.0 213,-0.1 0.000 360.0 360.0 360.0 -12.3 -22.7 -31.8 24.3 2 2 A G - 0 0 79 281,-0.0 2,-0.4 2,-0.0 281,-0.1 -0.618 360.0-165.6 -82.3 144.1 -19.3 -32.9 25.9 3 3 A F + 0 0 36 -2,-0.2 2,-0.3 279,-0.1 296,-0.0 -0.919 10.0 172.6-143.1 110.9 -16.3 -33.4 23.6 4 4 A R - 0 0 199 -2,-0.4 2,-1.0 295,-0.1 295,-0.0 -0.777 42.8-104.9-115.4 153.1 -13.0 -35.2 24.3 5 5 A K - 0 0 93 -2,-0.3 2,-0.4 122,-0.1 122,-0.2 -0.701 50.2-155.4 -68.2 104.1 -9.8 -36.3 22.4 6 6 A M - 0 0 84 -2,-1.0 2,-0.3 120,-0.1 120,-0.1 -0.744 10.1-154.4 -95.5 134.1 -10.6 -40.0 22.3 7 7 A A - 0 0 29 -2,-0.4 120,-0.1 118,-0.1 3,-0.1 -0.702 29.7-103.0 -95.0 149.0 -8.0 -42.7 22.0 8 8 A F - 0 0 12 -2,-0.3 2,-0.1 142,-0.2 -1,-0.1 -0.418 50.4 -89.6 -63.2 148.3 -8.8 -46.2 20.5 9 9 A P - 0 0 102 0, 0.0 3,-0.3 0, 0.0 4,-0.1 -0.462 40.0-147.3 -63.2 134.5 -9.2 -48.9 23.1 10 10 A S >> + 0 0 17 1,-0.2 4,-2.5 -2,-0.1 3,-1.3 0.440 65.6 103.7 -92.2 -1.6 -5.7 -50.3 23.5 11 11 A G H 3> S+ 0 0 46 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.857 78.4 52.4 -47.7 -51.7 -6.3 -54.0 24.2 12 12 A K H 34 S+ 0 0 79 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.729 116.5 41.5 -61.9 -25.5 -5.3 -55.5 20.8 13 13 A V H X4 S+ 0 0 0 -3,-1.3 3,-1.9 2,-0.1 4,-0.3 0.799 104.7 62.8 -91.9 -37.5 -2.0 -53.6 21.0 14 14 A E H >< S+ 0 0 88 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.894 98.3 59.5 -50.6 -44.2 -1.2 -54.2 24.7 15 15 A G T 3< S+ 0 0 25 -4,-1.7 -1,-0.3 1,-0.3 82,-0.3 0.522 104.6 51.2 -64.1 -7.1 -1.1 -58.0 23.8 16 16 A C T < S+ 0 0 0 -3,-1.9 15,-3.3 81,-0.1 2,-0.4 0.381 82.4 111.3-110.5 -0.7 1.7 -57.3 21.3 17 17 A M E < +A 30 0A 11 -3,-1.7 2,-0.3 -4,-0.3 54,-0.3 -0.648 39.2 165.1 -85.7 132.5 4.1 -55.4 23.5 18 18 A V E -A 29 0A 1 11,-2.2 11,-3.1 -2,-0.4 2,-0.4 -0.895 34.6-112.1-137.6 168.0 7.4 -56.9 24.5 19 19 A Q E -AB 28 69A 35 50,-2.0 50,-1.8 -2,-0.3 2,-0.4 -0.814 25.0-163.8-103.2 136.9 10.7 -56.0 25.9 20 20 A V E -AB 27 68A 0 7,-3.1 7,-2.4 -2,-0.4 2,-0.4 -0.995 7.5-175.0-127.6 128.1 13.9 -56.1 23.9 21 21 A T E +AB 26 67A 16 46,-2.2 46,-2.4 -2,-0.4 2,-0.3 -0.967 14.0 168.0-127.1 141.3 17.4 -56.1 25.4 22 22 A C E > S-A 25 0A 5 3,-2.1 3,-1.6 -2,-0.4 2,-0.3 -0.890 72.4 -37.1-152.7 109.7 20.8 -55.9 23.8 23 23 A G T 3 S- 0 0 64 42,-0.4 22,-0.1 -2,-0.3 20,-0.1 -0.541 124.3 -27.1 68.9-129.4 23.7 -55.2 26.1 24 24 A T T 3 S+ 0 0 142 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.2 0.133 117.3 100.9-103.7 16.1 22.6 -52.7 28.7 25 25 A T E < +A 22 0A 34 -3,-1.6 -3,-2.1 17,-0.2 2,-0.4 -0.925 46.7 177.3-107.0 117.1 19.9 -51.2 26.4 26 26 A T E +A 21 0A 47 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.940 11.6 147.1-114.5 142.3 16.3 -52.2 26.9 27 27 A L E -A 20 0A 5 -7,-2.4 -7,-3.1 -2,-0.4 2,-0.2 -0.904 44.6 -77.1-155.4-176.3 13.3 -50.8 25.0 28 28 A N E -A 19 0A 0 117,-2.4 2,-0.3 -2,-0.3 -9,-0.2 -0.597 37.4-172.8 -92.0 151.5 9.9 -51.9 23.7 29 29 A G E -A 18 0A 0 -11,-3.1 -11,-2.2 -2,-0.2 2,-0.5 -0.929 24.0-119.5-136.2 164.8 9.1 -54.0 20.6 30 30 A L E -AC 17 37A 0 7,-2.5 7,-2.5 -2,-0.3 2,-0.8 -0.923 21.4-156.6-109.8 120.9 6.0 -55.1 18.8 31 31 A W E + C 0 36A 19 -15,-3.3 2,-0.5 -2,-0.5 5,-0.2 -0.815 20.4 165.6-105.1 100.5 5.3 -58.9 18.6 32 32 A L E > - C 0 35A 0 3,-1.9 3,-2.0 -2,-0.8 2,-0.1 -0.978 66.0 -44.2-119.4 124.9 3.1 -59.8 15.6 33 33 A D T 3 S- 0 0 65 -2,-0.5 62,-3.2 62,-0.3 64,-0.1 -0.402 124.2 -24.1 50.8-122.5 2.9 -63.5 14.7 34 34 A D T 3 S+ 0 0 71 60,-0.3 57,-2.0 -2,-0.1 2,-0.4 -0.028 121.0 88.7-107.7 29.6 6.5 -64.8 14.9 35 35 A T E < -CD 32 90A 15 -3,-2.0 -3,-1.9 55,-0.2 2,-0.5 -0.968 55.6-158.8-125.7 141.9 8.3 -61.4 14.3 36 36 A V E -CD 31 89A 0 53,-2.5 53,-2.9 -2,-0.4 2,-0.4 -0.992 12.2-159.4-119.7 124.3 9.3 -58.8 16.9 37 37 A Y E +CD 30 88A 10 -7,-2.5 -7,-2.5 -2,-0.5 51,-0.2 -0.826 22.3 151.2-102.6 140.9 9.8 -55.2 15.5 38 38 A C E - D 0 87A 0 49,-1.6 49,-3.2 -2,-0.4 -9,-0.1 -0.988 51.5 -73.8-161.1 162.9 11.9 -52.6 17.4 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.6 0, 0.0 47,-0.2 -0.432 39.2-135.1 -58.5 133.5 14.1 -49.6 16.9 40 40 A R G > S+ 0 0 41 45,-2.5 3,-2.1 1,-0.3 4,-0.1 0.767 95.7 81.5 -63.9 -23.7 17.4 -50.6 15.5 41 41 A H G > + 0 0 42 44,-0.4 3,-1.1 1,-0.3 -1,-0.3 0.480 64.5 88.7 -66.7 1.4 19.2 -48.4 18.0 42 42 A V G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 -17,-0.2 0.784 85.4 57.8 -55.4 -29.9 18.8 -51.2 20.6 43 43 A I G < S+ 0 0 2 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.558 88.3 97.7 -84.4 -7.4 22.1 -52.3 19.3 44 44 A C < - 0 0 6 -3,-1.1 2,-0.3 -4,-0.1 5,-0.1 -0.362 55.4-158.8 -78.8 159.4 24.0 -49.1 20.0 45 45 A T - 0 0 65 -2,-0.1 3,-0.3 -22,-0.1 4,-0.1 -0.903 40.6 -72.1-133.6 165.4 26.2 -48.4 23.0 46 46 A A S > S+ 0 0 85 -2,-0.3 3,-0.5 1,-0.2 -2,-0.0 0.644 124.1 29.6 -18.9 -62.9 27.4 -45.3 24.9 47 47 A E G > S+ 0 0 166 1,-0.2 3,-1.1 2,-0.1 2,-0.8 0.928 109.9 61.8 -78.0 -48.2 30.0 -44.0 22.4 48 48 A D G 3 S+ 0 0 39 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.070 78.7 96.4 -73.6 29.0 28.7 -45.1 19.0 49 49 A M G < S+ 0 0 63 -2,-0.8 140,-2.0 -3,-0.5 -1,-0.2 0.844 81.4 46.3 -85.9 -35.6 25.5 -43.0 19.5 50 50 A L S < S+ 0 0 110 -3,-1.1 -2,-0.1 138,-0.2 -1,-0.1 0.683 132.2 16.9 -80.2 -16.0 26.6 -39.9 17.6 51 51 A N S S+ 0 0 116 -4,-0.3 -1,-0.2 139,-0.0 -2,-0.2 -0.139 80.1 172.7-150.7 45.8 27.9 -41.8 14.6 52 52 A P - 0 0 4 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.363 24.3-154.6 -75.1 135.1 26.6 -45.4 14.5 53 53 A N > - 0 0 94 1,-0.1 4,-3.1 -2,-0.1 5,-0.2 -0.906 12.9-172.0 -97.3 104.0 27.2 -47.8 11.5 54 54 A Y H > S+ 0 0 10 -2,-0.8 4,-2.0 2,-0.2 -1,-0.1 0.788 81.8 54.1 -71.4 -28.5 24.3 -50.1 12.0 55 55 A E H > S+ 0 0 151 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.936 114.5 41.4 -67.1 -46.6 25.4 -52.5 9.3 56 56 A D H > S+ 0 0 80 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.925 116.5 49.3 -66.9 -45.6 28.8 -52.9 11.1 57 57 A L H < S+ 0 0 28 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.9 47.6 -63.6 -34.5 27.2 -52.9 14.5 58 58 A L H >< S+ 0 0 21 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.2 0.876 99.7 62.6 -79.5 -38.0 24.6 -55.6 13.5 59 59 A I H 3< S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.787 99.3 60.4 -54.0 -28.8 27.0 -58.1 11.7 60 60 A R T 3< S+ 0 0 175 -4,-0.8 2,-0.3 -3,-0.2 -1,-0.3 0.355 94.6 83.4 -79.4 1.7 28.7 -58.5 15.2 61 61 A K < - 0 0 52 -3,-2.1 2,-0.3 2,-0.0 -18,-0.0 -0.796 59.1-160.3-110.3 151.6 25.5 -59.8 16.8 62 62 A S > - 0 0 44 -2,-0.3 3,-2.7 17,-0.0 4,-0.5 -0.760 41.9 -91.3-118.6 172.9 23.9 -63.2 16.9 63 63 A N T 3 S+ 0 0 55 1,-0.3 3,-0.4 -2,-0.3 14,-0.4 0.715 128.2 51.5 -52.4 -24.9 20.4 -64.5 17.6 64 64 A H T 3 S+ 0 0 166 1,-0.2 -1,-0.3 12,-0.1 14,-0.0 0.384 87.8 79.8 -98.5 2.2 21.4 -64.8 21.3 65 65 A S S < S+ 0 0 40 -3,-2.7 2,-0.5 1,-0.1 -42,-0.4 0.704 89.2 70.2 -67.9 -21.3 22.6 -61.2 21.4 66 66 A F - 0 0 7 -4,-0.5 2,-0.5 -3,-0.4 11,-0.4 -0.889 65.6-166.0-109.9 121.6 18.9 -60.4 21.7 67 67 A L E -B 21 0A 66 -46,-2.4 -46,-2.2 -2,-0.5 2,-0.5 -0.914 11.5-172.2-105.0 120.7 16.8 -61.1 24.8 68 68 A V E -BE 20 75A 0 7,-0.8 7,-3.1 -2,-0.5 2,-0.5 -0.963 2.6-169.2-125.4 121.2 13.0 -60.8 24.2 69 69 A Q E -BE 19 74A 45 -50,-1.8 -50,-2.0 -2,-0.5 2,-0.7 -0.934 13.5-171.7-119.2 120.6 10.4 -61.0 27.0 70 70 A A E > S- E 0 73A 18 3,-2.0 3,-1.0 -2,-0.5 2,-0.4 -0.929 82.7 -37.2-105.0 106.6 6.7 -61.3 26.7 71 71 A G T 3 S- 0 0 73 -2,-0.7 -52,-0.1 -54,-0.3 -2,-0.0 -0.701 120.2 -42.6 73.4-127.3 5.4 -60.8 30.2 72 72 A N T 3 S+ 0 0 144 -2,-0.4 -1,-0.3 2,-0.1 2,-0.0 0.542 119.5 107.9-100.5 -16.0 8.1 -62.6 32.2 73 73 A V E < -E 70 0A 87 -3,-1.0 -3,-2.0 -4,-0.1 2,-0.3 -0.327 68.3-132.4 -57.1 138.1 8.1 -65.4 29.7 74 74 A Q E -E 69 0A 111 -5,-0.2 2,-0.4 -2,-0.0 -5,-0.2 -0.721 13.1-152.1 -96.8 146.4 11.2 -65.5 27.5 75 75 A L E -E 68 0A 9 -7,-3.1 -7,-0.8 -2,-0.3 2,-0.6 -0.965 15.6-126.3-120.4 140.1 11.1 -65.8 23.7 76 76 A R - 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