==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-06 2GZ9 . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR I.L.LU,S.Y.WU . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 63.7 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 . 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 . 30 9.8 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 . 53 17.3 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 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 0 168 0, 0.0 2,-0.1 0, 0.0 213,-0.0 0.000 360.0 360.0 360.0 177.2 -16.0 -35.1 -2.0 2 2 A G - 0 0 45 212,-0.1 2,-0.3 1,-0.1 281,-0.0 -0.094 360.0-128.6 88.2 164.9 -12.5 -33.9 -1.0 3 3 A F + 0 0 29 279,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.851 30.9 164.0-157.3 113.1 -9.3 -34.0 -3.1 4 4 A R - 0 0 203 -2,-0.3 2,-0.6 295,-0.0 295,-0.0 -0.906 49.0 -96.9-129.9 151.8 -6.0 -35.5 -1.9 5 5 A K - 0 0 94 -2,-0.3 2,-0.5 122,-0.1 122,-0.1 -0.657 54.0-164.2 -62.1 113.8 -2.7 -36.6 -3.4 6 6 A M - 0 0 78 -2,-0.6 2,-0.2 120,-0.1 120,-0.1 -0.945 12.2-156.6-116.9 126.1 -3.5 -40.3 -3.6 7 7 A A - 0 0 31 -2,-0.5 120,-0.1 118,-0.1 3,-0.1 -0.528 31.1-100.3 -87.6 159.2 -1.0 -43.1 -4.1 8 8 A F - 0 0 18 142,-0.3 -1,-0.1 -2,-0.2 2,-0.1 -0.511 51.5 -87.9 -70.8 148.5 -1.9 -46.5 -5.5 9 9 A P - 0 0 104 0, 0.0 3,-0.2 0, 0.0 4,-0.1 -0.433 42.2-150.5 -57.5 135.3 -2.4 -49.3 -2.9 10 10 A S >> + 0 0 17 1,-0.2 4,-2.3 2,-0.1 3,-1.2 0.504 64.4 102.4 -96.8 -8.7 1.2 -50.6 -2.5 11 11 A G H 3> S+ 0 0 45 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.844 80.0 53.6 -43.0 -53.5 0.7 -54.4 -1.6 12 12 A K H 34 S+ 0 0 98 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.833 114.9 43.3 -53.2 -34.2 1.5 -55.8 -5.0 13 13 A V H X4 S+ 0 0 0 -3,-1.2 3,-2.1 1,-0.2 4,-0.4 0.883 104.5 62.8 -81.0 -40.0 4.8 -53.9 -5.0 14 14 A E H >< S+ 0 0 87 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.857 97.0 59.7 -48.6 -43.7 5.6 -54.7 -1.3 15 15 A G T 3< S+ 0 0 23 -4,-1.7 82,-0.3 1,-0.2 -1,-0.3 0.420 104.1 51.9 -68.9 1.1 5.8 -58.5 -2.2 16 16 A C T < S+ 0 0 1 -3,-2.1 15,-3.7 81,-0.1 2,-0.4 0.405 82.1 111.2-114.5 -1.5 8.6 -57.8 -4.7 17 17 A M E < +A 30 0A 13 -3,-1.4 2,-0.2 -4,-0.4 54,-0.2 -0.644 39.3 166.0 -86.8 126.6 11.0 -55.8 -2.5 18 18 A V E -A 29 0A 1 11,-2.4 11,-2.4 -2,-0.4 2,-0.4 -0.791 35.1-113.0-127.9 171.0 14.3 -57.4 -1.5 19 19 A Q E -AB 28 69A 35 50,-2.1 50,-2.0 -2,-0.2 2,-0.4 -0.886 26.5-163.9-103.2 133.3 17.6 -56.4 0.0 20 20 A V E -AB 27 68A 0 7,-3.3 7,-2.1 -2,-0.4 2,-0.4 -0.992 6.6-174.5-122.1 129.7 20.8 -56.6 -2.1 21 21 A T E +AB 26 67A 17 46,-2.5 46,-2.7 -2,-0.4 2,-0.4 -0.979 11.1 174.8-125.6 133.6 24.3 -56.5 -0.6 22 22 A C E > S-AB 25 66A 5 3,-2.1 3,-2.1 -2,-0.4 2,-0.4 -0.958 70.3 -46.7-137.4 117.8 27.6 -56.4 -2.4 23 23 A G T 3 S- 0 0 71 42,-0.6 20,-0.1 -2,-0.4 22,-0.0 -0.452 125.6 -18.7 57.3-111.5 30.6 -56.0 -0.1 24 24 A T T 3 S+ 0 0 130 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.373 115.8 92.6-110.6 -0.8 29.7 -53.3 2.3 25 25 A T E < -A 22 0A 39 -3,-2.1 -3,-2.1 17,-0.3 2,-0.4 -0.851 49.0-174.4-101.4 126.9 26.8 -51.6 0.4 26 26 A T E +A 21 0A 49 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.961 17.2 144.1-114.3 141.3 23.2 -52.6 1.0 27 27 A L E -A 20 0A 4 -7,-2.1 -7,-3.3 -2,-0.4 2,-0.2 -0.896 46.5 -74.5-154.1-174.3 20.2 -51.2 -0.9 28 28 A N E -A 19 0A 0 117,-2.6 2,-0.3 -2,-0.3 -9,-0.2 -0.618 36.9-169.0 -94.7 147.5 16.8 -52.4 -2.3 29 29 A G E -A 18 0A 0 -11,-2.4 -11,-2.4 -2,-0.2 2,-0.6 -0.878 22.2-120.8-127.9 165.2 16.1 -54.6 -5.3 30 30 A L E -AC 17 37A 0 7,-3.1 7,-2.6 -2,-0.3 2,-0.8 -0.932 21.3-157.7-110.4 118.4 13.0 -55.6 -7.3 31 31 A W E + C 0 36A 21 -15,-3.7 2,-0.4 -2,-0.6 5,-0.2 -0.807 22.4 160.3-105.0 100.3 12.1 -59.3 -7.4 32 32 A L E > - C 0 35A 1 3,-2.1 3,-2.1 -2,-0.8 2,-0.1 -0.989 67.6 -39.7-119.1 128.5 10.0 -60.3 -10.3 33 33 A D T 3 S- 0 0 67 -2,-0.4 62,-3.4 62,-0.4 64,-0.1 -0.366 125.2 -25.1 53.6-124.7 9.9 -64.0 -11.4 34 34 A D T 3 S+ 0 0 60 60,-0.3 57,-2.7 -2,-0.1 2,-0.4 0.036 121.2 88.9-105.1 27.7 13.5 -65.2 -11.1 35 35 A T E < -CD 32 90A 21 -3,-2.1 -3,-2.1 55,-0.2 2,-0.5 -0.972 55.7-158.8-128.5 137.9 15.2 -61.8 -11.5 36 36 A V E -CD 31 89A 0 53,-2.1 53,-2.4 -2,-0.4 2,-0.4 -0.976 14.1-157.3-113.5 124.2 16.2 -59.1 -8.9 37 37 A Y E +CD 30 88A 12 -7,-2.6 -7,-3.1 -2,-0.5 51,-0.2 -0.878 24.7 149.5-102.7 136.7 16.6 -55.6 -10.3 38 38 A C E - D 0 87A 0 49,-1.7 49,-2.8 -2,-0.4 -9,-0.1 -0.968 51.8 -75.3-154.6 163.1 18.8 -53.1 -8.5 39 39 A P E > - D 0 86A 0 0, 0.0 3,-1.2 0, 0.0 47,-0.2 -0.446 36.2-136.0 -59.8 138.9 21.0 -50.0 -9.1 40 40 A R G > S+ 0 0 33 45,-2.3 3,-2.5 1,-0.3 4,-0.1 0.791 96.2 80.4 -69.7 -26.5 24.5 -51.1 -10.4 41 41 A H G > + 0 0 24 44,-0.4 3,-1.3 1,-0.3 -1,-0.3 0.517 67.5 88.6 -62.0 -0.5 26.2 -48.6 -8.0 42 42 A V G < S+ 0 0 0 -3,-1.2 -17,-0.3 1,-0.2 -1,-0.3 0.744 82.9 57.7 -62.4 -24.1 25.7 -51.4 -5.4 43 43 A I G < S+ 0 0 6 -3,-2.5 2,-0.3 -4,-0.1 -1,-0.2 0.482 91.7 95.3 -84.6 -3.5 29.1 -52.7 -6.7 44 44 A C < - 0 0 6 -3,-1.3 2,-0.1 -4,-0.1 -22,-0.1 -0.687 58.1-154.8 -95.4 140.2 30.8 -49.4 -5.8 45 45 A T > - 0 0 73 -2,-0.3 2,-1.9 -22,-0.0 4,-1.7 -0.405 48.4 -72.6 -92.7 179.9 32.8 -48.5 -2.7 46 46 A A T 4 S+ 0 0 107 1,-0.2 -1,-0.0 2,-0.2 -2,-0.0 -0.597 131.1 28.0 -75.5 80.5 33.3 -45.0 -1.3 47 47 A E T >> S+ 0 0 146 -2,-1.9 3,-1.0 0, 0.0 4,-0.7 -0.172 106.3 70.8 159.3 -38.2 35.9 -43.9 -4.0 48 48 A D G >4 S+ 0 0 48 -3,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.923 90.8 66.3 -54.3 -45.2 34.8 -46.0 -6.9 49 49 A M G 3< S+ 0 0 31 -4,-1.7 140,-3.1 1,-0.3 -1,-0.2 0.664 91.8 62.3 -53.4 -21.6 31.7 -43.6 -6.9 50 50 A L G <4 S- 0 0 89 -3,-1.0 -1,-0.3 138,-0.2 -2,-0.2 0.877 131.9 -4.6 -75.7 -41.6 34.0 -40.7 -7.9 51 51 A N S << S+ 0 0 124 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 -0.400 86.2 178.9-147.6 68.4 35.1 -42.3 -11.3 52 52 A P - 0 0 19 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.426 22.7-160.3 -80.5 144.9 33.7 -45.8 -11.6 53 53 A N > - 0 0 86 -2,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.957 10.5-171.7-115.3 105.0 34.1 -48.1 -14.5 54 54 A Y H > S+ 0 0 5 -2,-0.6 4,-1.9 2,-0.2 5,-0.1 0.791 82.8 54.6 -72.8 -31.5 31.2 -50.5 -14.0 55 55 A E H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 115.0 41.5 -62.8 -44.7 32.3 -52.9 -16.8 56 56 A D H > S+ 0 0 76 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.880 116.5 47.4 -73.9 -39.9 35.7 -53.1 -15.0 57 57 A L H < S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.825 113.6 49.7 -67.6 -32.4 34.3 -53.3 -11.5 58 58 A L H >< S+ 0 0 17 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.869 98.9 60.7 -79.4 -40.0 31.7 -55.9 -12.5 59 59 A I H 3< S+ 0 0 143 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.783 100.1 62.3 -56.2 -26.7 34.0 -58.4 -14.3 60 60 A R T 3< S+ 0 0 178 -4,-0.6 2,-0.3 -5,-0.1 -1,-0.3 0.473 93.7 81.7 -78.1 -6.0 35.7 -58.7 -10.9 61 61 A K < - 0 0 65 -3,-2.4 2,-0.2 2,-0.0 -18,-0.0 -0.754 61.3-156.5-102.7 150.7 32.5 -60.0 -9.2 62 62 A S > - 0 0 36 -2,-0.3 3,-1.4 17,-0.0 4,-0.4 -0.611 40.3 -95.7-107.9 175.7 31.1 -63.6 -9.1 63 63 A N G > S+ 0 0 53 1,-0.3 3,-0.9 -2,-0.2 14,-0.3 0.840 126.4 54.0 -58.2 -34.0 27.5 -64.8 -8.6 64 64 A H G 3 S+ 0 0 169 1,-0.2 -1,-0.3 12,-0.1 14,-0.0 0.387 86.5 78.4 -88.6 3.9 28.4 -65.2 -4.9 65 65 A S G < S+ 0 0 41 -3,-1.4 -42,-0.6 1,-0.1 2,-0.5 0.687 88.5 74.6 -71.5 -21.0 29.6 -61.6 -4.5 66 66 A F E < -B 22 0A 8 -3,-0.9 2,-0.5 -4,-0.4 11,-0.4 -0.856 64.8-166.7-105.1 123.1 25.9 -60.8 -4.3 67 67 A L E -B 21 0A 63 -46,-2.7 -46,-2.5 -2,-0.5 2,-0.5 -0.929 7.3-172.6-109.2 119.4 23.7 -61.5 -1.3 68 68 A V E -BE 20 75A 0 7,-0.9 7,-3.6 -2,-0.5 2,-0.5 -0.964 1.1-170.4-117.4 123.3 20.0 -61.2 -1.8 69 69 A Q E -BE 19 74A 64 -50,-2.0 -50,-2.1 -2,-0.5 2,-0.8 -0.958 10.9-171.4-119.2 118.2 17.5 -61.4 1.2 70 70 A A E > S- E 0 73A 18 3,-2.7 3,-2.1 -2,-0.5 2,-0.4 -0.910 72.3 -56.1-102.5 100.9 13.8 -61.7 0.8 71 71 A G T 3 S- 0 0 74 -2,-0.8 -52,-0.1 1,-0.3 50,-0.0 -0.521 121.0 -20.7 66.2-118.4 12.5 -61.3 4.3 72 72 A N T 3 S+ 0 0 172 -2,-0.4 2,-0.5 2,-0.1 -1,-0.3 0.094 121.8 97.5-104.5 19.2 14.3 -64.0 6.4 73 73 A V E < -E 70 0A 92 -3,-2.1 -3,-2.7 2,-0.0 2,-0.4 -0.927 66.2-142.7-109.0 130.3 15.0 -66.0 3.2 74 74 A Q E -E 69 0A 134 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.779 15.2-148.7 -87.0 132.4 18.4 -65.9 1.4 75 75 A L E -E 68 0A 3 -7,-3.6 -7,-0.9 -2,-0.4 2,-0.5 -0.880 12.3-128.9-104.3 134.4 18.1 -66.1 -2.4 76 76 A R - 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