==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 19-JUL-07 2V6N . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN SARS CORONAVIRUS; . AUTHOR K.H.G.VERSCHUEREN,K.PUMPOR,S.ANEMUELLER,J.R.MESTERS, R.HILGE . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 22.2 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 . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 17.0 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 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 PARALLEL BRIDGES PER LADDER . 3 0 3 2 1 3 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 S 0 0 165 0, 0.0 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 174.0 22.7 -34.9 -23.6 2 2 A G - 0 0 44 212,-0.1 2,-0.2 1,-0.1 280,-0.0 -0.245 360.0-133.1 104.6 161.4 19.1 -34.0 -24.5 3 3 A F + 0 0 25 -2,-0.1 2,-0.3 279,-0.1 -1,-0.1 -0.779 31.7 159.6-158.9 117.8 15.9 -33.8 -22.5 4 4 A R - 0 0 175 -2,-0.2 2,-0.8 2,-0.0 295,-0.0 -0.888 51.9 -96.6-135.8 151.2 12.6 -35.3 -23.7 5 5 A K - 0 0 111 -2,-0.3 2,-0.5 122,-0.1 122,-0.1 -0.718 54.9-166.9 -68.6 111.8 9.2 -36.5 -22.4 6 6 A M - 0 0 69 -2,-0.8 2,-0.1 120,-0.1 120,-0.1 -0.945 11.6-156.1-113.9 119.8 10.2 -40.1 -22.2 7 7 A A - 0 0 30 -2,-0.5 120,-0.1 118,-0.1 3,-0.1 -0.472 29.7-102.9 -81.2 160.3 7.7 -43.0 -21.7 8 8 A F - 0 0 21 142,-0.2 -1,-0.1 -2,-0.1 142,-0.0 -0.544 52.5 -85.0 -74.9 149.9 8.7 -46.4 -20.3 9 9 A P - 0 0 104 0, 0.0 3,-0.4 0, 0.0 4,-0.1 -0.372 41.9-149.6 -56.6 136.3 9.0 -49.1 -22.9 10 10 A S >> + 0 0 16 1,-0.2 4,-2.3 2,-0.1 3,-1.3 0.493 65.6 102.6 -97.0 -4.1 5.4 -50.4 -23.3 11 11 A G H 3> S+ 0 0 47 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.784 77.9 53.5 -51.3 -43.5 6.0 -54.1 -24.2 12 12 A K H 34 S+ 0 0 109 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.754 114.9 44.0 -65.4 -25.4 5.1 -55.6 -20.8 13 13 A V H X4 S+ 0 0 0 -3,-1.3 3,-2.0 2,-0.1 4,-0.4 0.840 103.9 62.3 -85.9 -37.9 1.8 -53.8 -20.9 14 14 A E H >< S+ 0 0 90 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.848 97.7 59.2 -55.3 -35.0 1.0 -54.6 -24.6 15 15 A G T 3< S+ 0 0 23 -4,-1.3 -1,-0.3 1,-0.3 82,-0.3 0.545 104.9 52.0 -73.2 -7.2 0.9 -58.3 -23.7 16 16 A C T < S+ 0 0 0 -3,-2.0 15,-3.3 81,-0.1 2,-0.4 0.438 82.7 107.9-102.7 -7.4 -1.8 -57.6 -21.2 17 17 A M E < +A 30 0A 14 -3,-1.2 2,-0.3 -4,-0.4 13,-0.2 -0.607 40.2 164.5 -85.4 130.8 -4.3 -55.6 -23.4 18 18 A V E -A 29 0A 1 11,-2.4 11,-2.7 -2,-0.4 2,-0.4 -0.860 35.8-110.7-131.6 172.1 -7.5 -57.3 -24.4 19 19 A Q E -AB 28 69A 38 50,-2.4 50,-2.4 -2,-0.3 2,-0.4 -0.876 27.5-165.9-104.5 136.4 -10.9 -56.3 -25.9 20 20 A V E -AB 27 68A 0 7,-2.6 7,-2.0 -2,-0.4 2,-0.4 -0.996 6.9-178.5-127.6 130.9 -14.1 -56.5 -23.8 21 21 A T E +AB 26 67A 19 46,-2.3 46,-2.6 -2,-0.4 2,-0.4 -0.971 11.9 175.5-130.3 138.2 -17.6 -56.4 -25.2 22 22 A C E > S-AB 25 66A 6 3,-2.0 3,-1.8 -2,-0.4 2,-0.2 -0.941 72.8 -38.4-141.3 119.5 -21.0 -56.4 -23.5 23 23 A G T 3 S- 0 0 66 42,-0.5 20,-0.0 -2,-0.4 44,-0.0 -0.480 125.2 -26.8 60.0-125.0 -24.0 -55.9 -25.8 24 24 A T T 3 S+ 0 0 129 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.2 0.380 116.1 98.2-101.6 1.0 -22.9 -53.3 -28.3 25 25 A T E < +A 22 0A 26 -3,-1.8 -3,-2.0 17,-0.3 2,-0.3 -0.807 48.7 180.0 -95.9 124.8 -20.3 -51.5 -26.2 26 26 A T E +A 21 0A 49 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.943 12.0 145.1-122.2 146.6 -16.6 -52.5 -26.7 27 27 A L E -A 20 0A 3 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.3 -0.876 46.2 -73.7-159.9-173.0 -13.6 -51.1 -24.9 28 28 A N E -A 19 0A 0 117,-2.2 2,-0.3 -2,-0.3 -9,-0.2 -0.698 38.1-169.2 -99.5 149.7 -10.2 -52.2 -23.6 29 29 A G E -A 18 0A 0 -11,-2.7 -11,-2.4 -2,-0.3 2,-0.5 -0.891 20.9-122.5-134.0 166.6 -9.4 -54.4 -20.6 30 30 A L E -AC 17 37A 0 7,-2.7 7,-2.4 -2,-0.3 2,-0.7 -0.932 19.8-156.4-117.1 117.4 -6.3 -55.4 -18.7 31 31 A W E + C 0 36A 18 -15,-3.3 2,-0.4 -2,-0.5 5,-0.2 -0.805 21.0 163.6-103.4 108.5 -5.5 -59.1 -18.4 32 32 A L E > - C 0 35A 0 3,-2.5 3,-2.2 -2,-0.7 -2,-0.1 -0.992 65.9 -42.5-127.1 125.2 -3.3 -60.1 -15.4 33 33 A D T 3 S- 0 0 67 -2,-0.4 62,-2.7 62,-0.4 64,-0.1 -0.402 124.9 -23.9 52.9-130.7 -3.1 -63.7 -14.3 34 34 A D T 3 S+ 0 0 63 60,-0.3 57,-2.4 -3,-0.1 2,-0.4 0.057 121.6 89.0 -96.3 22.8 -6.7 -65.0 -14.5 35 35 A T E < -CD 32 90A 25 -3,-2.2 -3,-2.5 55,-0.2 2,-0.5 -0.963 55.8-158.5-119.7 140.2 -8.4 -61.6 -14.1 36 36 A V E -CD 31 89A 0 53,-3.3 53,-3.4 -2,-0.4 2,-0.4 -0.973 13.5-160.2-112.0 122.3 -9.5 -59.0 -16.7 37 37 A Y E +CD 30 88A 24 -7,-2.4 -7,-2.7 -2,-0.5 51,-0.2 -0.837 22.9 150.4 -94.4 135.5 -10.0 -55.4 -15.4 38 38 A C E - D 0 87A 0 49,-1.9 49,-2.7 -2,-0.4 -9,-0.1 -0.987 50.5 -76.3-155.4 163.7 -12.1 -52.8 -17.3 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.7 0, 0.0 47,-0.3 -0.336 35.2-130.4 -57.9 140.4 -14.3 -49.7 -16.9 40 40 A R G > S+ 0 0 32 45,-2.6 3,-2.4 1,-0.3 4,-0.1 0.758 97.8 89.9 -64.9 -16.4 -17.7 -50.6 -15.6 41 41 A H G > + 0 0 52 44,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.673 66.0 80.5 -43.3 -27.4 -18.9 -48.4 -18.5 42 42 A V G < S+ 0 0 0 -3,-1.7 -17,-0.3 1,-0.3 -1,-0.3 0.725 85.6 56.7 -63.3 -21.3 -18.9 -51.5 -20.6 43 43 A I G < S+ 0 0 6 -3,-2.4 2,-0.3 -4,-0.1 -1,-0.3 0.372 96.3 87.0 -92.7 8.0 -22.3 -52.5 -19.2 44 44 A C < - 0 0 2 -3,-1.9 2,-0.3 -4,-0.1 -22,-0.1 -0.792 58.2-157.1-106.2 149.8 -23.9 -49.2 -20.3 45 45 A T >> - 0 0 41 -2,-0.3 4,-0.9 -22,-0.0 3,-0.7 -0.707 45.8 -93.2-105.4 168.7 -25.5 -48.1 -23.5 46 46 A A T 34 S+ 0 0 86 -2,-0.3 3,-0.2 1,-0.2 4,-0.2 0.780 128.7 51.6 -48.8 -32.1 -25.8 -44.4 -24.6 47 47 A E T >4 S+ 0 0 152 1,-0.2 3,-0.5 2,-0.1 4,-0.3 0.809 104.4 55.2 -80.4 -32.0 -29.3 -44.3 -22.9 48 48 A D T <4 S+ 0 0 47 -3,-0.7 3,-0.4 1,-0.2 -1,-0.2 0.704 92.0 84.2 -60.8 -22.0 -28.0 -45.8 -19.6 49 49 A M T 3< S+ 0 0 32 -4,-0.9 140,-2.4 -3,-0.2 -1,-0.2 0.648 77.9 53.6 -73.9 -23.3 -25.5 -43.0 -19.5 50 50 A L S < S+ 0 0 123 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.1 0.909 132.3 6.8 -74.7 -37.6 -27.3 -39.9 -17.9 51 51 A N S S+ 0 0 142 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.2 -0.584 82.1 170.4-145.8 68.5 -28.4 -41.8 -14.9 52 52 A P - 0 0 17 0, 0.0 2,-0.7 0, 0.0 3,-0.1 -0.674 23.0-157.2 -88.5 138.0 -26.9 -45.4 -14.7 53 53 A N > - 0 0 90 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 -0.921 8.9-169.0-109.0 103.9 -27.3 -47.5 -11.7 54 54 A Y H > S+ 0 0 5 -2,-0.7 4,-3.1 1,-0.2 5,-0.2 0.846 84.2 55.0 -63.8 -37.1 -24.4 -49.9 -12.1 55 55 A E H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.940 114.3 41.6 -57.2 -47.4 -25.6 -52.2 -9.3 56 56 A D H > S+ 0 0 75 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.856 116.7 48.1 -72.0 -39.4 -28.9 -52.5 -11.1 57 57 A L H < S+ 0 0 25 -4,-3.0 3,-0.5 1,-0.1 -2,-0.2 0.887 112.5 49.4 -63.0 -42.1 -27.3 -52.8 -14.5 58 58 A L H >< S+ 0 0 17 -4,-3.1 3,-2.6 1,-0.2 -2,-0.2 0.892 99.7 60.8 -70.0 -42.3 -24.8 -55.4 -13.4 59 59 A I H 3< S+ 0 0 143 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.711 99.2 61.8 -60.9 -22.0 -27.2 -57.9 -11.6 60 60 A R T 3< S+ 0 0 179 -4,-0.5 2,-0.3 -3,-0.5 -1,-0.3 0.428 94.0 85.5 -82.4 -4.4 -28.9 -58.3 -15.0 61 61 A K < - 0 0 65 -3,-2.6 2,-0.2 -4,-0.0 -18,-0.0 -0.773 59.9-159.8 -99.2 151.0 -25.7 -59.7 -16.5 62 62 A S > - 0 0 37 -2,-0.3 3,-1.2 1,-0.1 4,-0.3 -0.636 40.5 -98.0-113.5 172.1 -24.3 -63.2 -16.6 63 63 A N G > S+ 0 0 52 1,-0.2 3,-1.7 -2,-0.2 14,-0.2 0.919 125.5 54.2 -57.5 -39.5 -20.7 -64.4 -17.2 64 64 A H G 3 S+ 0 0 173 1,-0.3 -1,-0.2 12,-0.1 14,-0.0 0.490 86.4 79.2 -82.0 -1.0 -21.6 -65.0 -20.8 65 65 A S G < S+ 0 0 38 -3,-1.2 -42,-0.5 -43,-0.1 2,-0.5 0.694 87.8 75.3 -60.3 -23.2 -22.9 -61.5 -21.2 66 66 A F E < -B 22 0A 9 -3,-1.7 2,-0.6 -4,-0.3 11,-0.4 -0.834 64.2-165.5-106.6 127.5 -19.2 -60.7 -21.5 67 67 A L E -B 21 0A 57 -46,-2.6 -46,-2.3 -2,-0.5 2,-0.5 -0.951 9.6-174.1-108.0 119.3 -17.0 -61.4 -24.6 68 68 A V E -BE 20 75A 0 7,-0.8 7,-3.0 -2,-0.6 2,-0.4 -0.978 2.5-173.5-119.1 125.1 -13.3 -61.1 -23.9 69 69 A Q E -BE 19 74A 58 -50,-2.4 -50,-2.4 -2,-0.5 2,-0.7 -0.982 17.1-172.5-126.3 122.0 -10.9 -61.4 -26.8 70 70 A A E > S- E 0 73A 19 3,-2.8 3,-2.0 -2,-0.4 2,-0.3 -0.934 74.6 -57.8-110.5 99.7 -7.1 -61.6 -26.7 71 71 A G T 3 S- 0 0 66 -2,-0.7 -52,-0.1 1,-0.3 50,-0.0 -0.464 120.1 -17.5 59.8-118.9 -6.2 -61.4 -30.4 72 72 A N T 3 S+ 0 0 169 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.509 119.9 94.1 -95.8 -6.9 -8.0 -64.3 -32.1 73 73 A V E < -E 70 0A 83 -3,-2.0 -3,-2.8 2,-0.0 2,-0.4 -0.768 66.6-142.7 -96.5 126.9 -8.6 -66.2 -28.9 74 74 A Q E -E 69 0A 135 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.722 11.6-150.0 -79.4 130.2 -11.8 -65.9 -26.9 75 75 A L E -E 68 0A 4 -7,-3.0 -7,-0.8 -2,-0.4 2,-0.4 -0.915 15.9-131.7-101.1 126.8 -11.3 -66.0 -23.2 76 76 A R - 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