==== 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 UNKNOWN FUNCTION 16-SEP-03 1QZ8 . COMPND 2 MOLECULE: POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR M.P.EGLOFF,F.FERRON,V.CAMPANACCI,S.LONGHI,C.RANCUREL,H.DUTAR . 221 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 2 0.9 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 . 18 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 11.3 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 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 2 4 2 1 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 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 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 3 A E 0 0 167 0, 0.0 182,-1.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 97.6 -14.3 78.0 79.1 2 4 A L B -a 183 0A 109 180,-0.2 182,-0.2 194,-0.0 194,-0.0 -0.913 360.0-132.0-161.4 146.5 -11.0 77.6 77.2 3 5 A S + 0 0 38 180,-1.1 182,-0.1 -2,-0.3 179,-0.0 -0.653 30.3 156.6-135.4 88.5 -7.8 75.9 78.7 4 6 A P + 0 0 116 0, 0.0 -1,-0.1 0, 0.0 217,-0.0 0.729 20.1 116.1 -52.1-148.5 -4.0 76.9 78.9 5 7 A V - 0 0 101 1,-0.1 2,-0.1 0, 0.0 -2,-0.0 0.904 40.6-144.4 91.6 77.6 -1.1 75.9 81.3 6 8 A A - 0 0 78 1,-0.1 2,-0.7 210,-0.0 26,-0.4 -0.319 5.6-143.2 -86.2 146.3 2.1 73.9 80.6 7 9 A L - 0 0 36 24,-0.1 24,-0.2 -2,-0.1 2,-0.2 -0.851 26.0-176.6-109.4 104.0 3.9 71.4 82.9 8 10 A R E -I 30 0B 160 22,-2.1 22,-2.5 -2,-0.7 2,-0.4 -0.473 16.1-145.1-102.1 164.2 7.7 71.6 82.8 9 11 A Q E +I 29 0B 87 20,-0.2 2,-0.3 -2,-0.2 20,-0.2 -0.987 19.6 166.4-133.3 120.5 10.6 69.6 84.3 10 12 A M E -I 28 0B 45 18,-1.7 18,-1.7 -2,-0.4 2,-0.3 -0.759 37.1-113.1-113.4 168.5 14.0 70.9 85.4 11 13 A S E +I 27 0B 62 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.716 42.9 173.1 -96.8 159.8 16.5 69.0 87.6 12 14 A C E -I 26 0B 4 14,-2.2 14,-1.7 -2,-0.3 13,-0.9 -0.989 32.5 -94.5-162.1 163.5 17.2 70.3 91.1 13 15 A A E + J 0 53B 5 40,-0.8 40,-2.3 11,-0.3 2,-0.3 -0.608 40.9 166.3 -90.0 149.7 18.9 69.9 94.5 14 16 A A E +IJ 22 52B 0 8,-0.7 8,-1.2 38,-0.2 2,-0.3 -0.965 1.9 161.2-156.1 157.3 17.1 68.4 97.4 15 17 A G E - J 0 51B 4 36,-1.8 35,-2.1 -2,-0.3 36,-2.0 -0.974 54.0 -91.2-167.4 177.6 18.0 67.0 100.9 16 18 A T S S+ 0 0 79 -2,-0.3 2,-0.3 33,-0.2 -1,-0.1 0.728 114.4 18.4 -72.9 -24.9 16.8 66.0 104.4 17 19 A T S S- 0 0 64 34,-0.1 4,-0.5 33,-0.1 34,-0.2 -0.847 90.4-101.4-135.4 175.1 17.7 69.5 105.4 18 20 A Q S > S+ 0 0 80 -2,-0.3 3,-0.8 1,-0.2 -1,-0.1 0.901 121.9 42.8 -67.5 -45.8 18.4 72.9 103.7 19 21 A T T 3 S+ 0 0 129 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.658 107.4 63.4 -74.4 -18.1 22.2 72.7 103.8 20 22 A A T 3 S+ 0 0 37 2,-0.1 2,-0.2 -7,-0.0 -1,-0.2 0.646 72.8 117.9 -77.9 -15.2 22.0 69.1 102.8 21 23 A C < + 0 0 2 -3,-0.8 2,-0.3 -4,-0.5 -6,-0.2 -0.384 48.3 166.9 -56.6 116.6 20.4 70.2 99.5 22 24 A T E -I 14 0B 73 -8,-1.2 -8,-0.7 -2,-0.2 3,-0.1 -0.998 36.6 -25.2-145.4 132.0 23.0 68.9 97.1 23 25 A D E S- 0 0 136 -2,-0.3 -10,-0.1 1,-0.2 -11,-0.1 0.463 106.2 -52.8 61.1 29.4 23.8 68.2 93.4 24 26 A D E + 0 0 98 1,-0.1 -11,-0.3 -13,-0.1 -1,-0.2 0.976 65.6 173.1 60.5 75.9 20.5 67.6 91.6 25 27 A N E + 0 0 42 -13,-0.9 21,-0.5 -3,-0.1 20,-0.4 0.405 60.1 8.1 -79.3 -6.4 19.0 65.0 93.8 26 28 A A E S-I 12 0B 15 -14,-1.7 -14,-2.2 18,-0.1 2,-0.5 -0.924 70.7 -95.8-166.3 173.1 15.7 65.2 91.9 27 29 A L E -IK 11 43B 50 16,-2.6 16,-2.8 -2,-0.3 2,-0.5 -0.981 35.8-152.9-116.5 115.0 13.3 66.2 89.1 28 30 A A E -IK 10 42B 0 -18,-1.7 -18,-1.7 -2,-0.5 2,-0.4 -0.804 3.6-147.9 -93.0 129.8 11.0 69.2 89.9 29 31 A Y E +IK 9 41B 4 12,-3.3 11,-3.1 -2,-0.5 12,-1.1 -0.798 35.0 159.7 -85.8 133.9 7.7 69.7 88.2 30 32 A Y E -IK 8 39B 11 -22,-2.5 -22,-2.1 -2,-0.4 2,-0.3 -0.949 37.2-135.8-151.0 166.4 6.8 73.3 87.7 31 33 A N E - K 0 38B 12 7,-3.2 7,-3.3 -2,-0.3 -24,-0.1 -0.931 21.8-133.9-119.0 150.8 4.9 76.0 86.0 32 34 A N > + 0 0 115 -26,-0.4 4,-0.7 -2,-0.3 7,-0.1 0.723 56.7 147.6 -72.0 -21.9 6.2 79.3 84.7 33 35 A S T 4 - 0 0 42 5,-0.1 2,-0.8 2,-0.1 -2,-0.1 0.291 56.1 -32.9 -26.6 121.4 3.3 81.2 86.3 34 36 A K T 4 S+ 0 0 204 1,-0.2 -1,-0.1 4,-0.0 3,-0.1 -0.554 125.3 7.7 90.5 -96.7 3.5 84.8 87.7 35 37 A G T 4 S- 0 0 79 -2,-0.8 2,-0.2 1,-0.2 -1,-0.2 -0.301 123.3 -49.4-120.1 46.8 6.8 86.0 89.3 36 38 A G S < S- 0 0 27 -4,-0.7 2,-0.3 2,-0.1 -1,-0.2 -0.754 96.0 -10.0 125.4-166.7 9.0 83.0 88.4 37 39 A R - 0 0 124 -2,-0.2 2,-0.6 -3,-0.1 -5,-0.2 -0.501 53.9-159.6 -75.1 129.2 9.1 79.2 88.5 38 40 A F E -K 31 0B 80 -7,-3.3 -7,-3.2 -2,-0.3 2,-0.4 -0.955 11.9-146.8-115.4 115.4 6.3 77.7 90.5 39 41 A V E +K 30 0B 12 -2,-0.6 -9,-0.3 -9,-0.2 3,-0.1 -0.710 21.9 176.3 -99.2 133.6 7.1 74.2 91.7 40 42 A L E - 0 0 0 -11,-3.1 49,-1.8 -2,-0.4 2,-0.3 0.807 61.5 -19.5-100.5 -41.9 4.4 71.5 92.1 41 43 A A E -KL 29 88B 0 -12,-1.1 -12,-3.3 47,-0.2 2,-0.4 -0.984 51.9-125.5-163.6 160.0 6.3 68.4 93.0 42 44 A L E -KL 28 87B 0 45,-3.0 45,-3.6 -2,-0.3 2,-0.4 -0.958 10.7-156.4-117.3 146.6 9.6 66.5 93.0 43 45 A L E +KL 27 86B 16 -16,-2.8 -16,-2.6 -2,-0.4 2,-0.3 -0.942 28.4 155.4-114.6 133.7 10.5 63.1 91.7 44 46 A S E - L 0 85B 4 41,-1.7 41,-2.7 -2,-0.4 -18,-0.1 -0.994 52.6-134.9-157.0 150.7 13.5 61.3 93.2 45 47 A D S S+ 0 0 112 -20,-0.4 2,-0.1 -2,-0.3 -1,-0.1 0.752 88.9 90.8 -67.9 -29.7 15.1 57.9 93.9 46 48 A H - 0 0 97 -21,-0.5 3,-0.2 1,-0.1 39,-0.1 -0.436 61.3-163.2 -78.1 143.0 15.7 59.2 97.4 47 49 A Q S S+ 0 0 106 1,-0.2 -1,-0.1 -2,-0.1 39,-0.0 0.494 73.0 63.4-103.4 -2.4 13.1 58.5 100.0 48 50 A D + 0 0 112 21,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.229 65.1 140.0-125.4 45.6 13.9 61.0 102.8 49 51 A L + 0 0 18 -3,-0.2 -33,-0.2 1,-0.1 3,-0.1 -0.657 19.3 163.7-102.6 149.1 13.5 64.4 101.5 50 52 A K + 0 0 97 -35,-2.1 17,-3.1 1,-0.3 2,-0.3 0.537 66.5 36.2-128.8 -30.2 12.1 67.5 103.2 51 53 A W E -JM 15 66B 34 -36,-2.0 -36,-1.8 15,-0.2 2,-0.3 -0.950 50.6-160.9-135.6 156.4 13.4 70.3 101.0 52 54 A A E -JM 14 65B 0 13,-2.0 13,-2.1 -2,-0.3 2,-0.4 -0.934 19.6-146.9-124.2 150.2 14.1 71.4 97.5 53 55 A R E -JM 13 64B 68 -40,-2.3 -40,-0.8 -2,-0.3 11,-0.2 -0.970 14.2-178.1-129.9 132.4 16.4 74.3 96.6 54 56 A F E - M 0 63B 20 9,-3.2 9,-3.1 -2,-0.4 2,-0.2 -0.937 18.1-146.8-131.8 104.2 16.2 76.7 93.8 55 57 A P E - M 0 62B 98 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.569 29.2-122.0 -60.6 130.3 18.7 79.5 93.3 56 58 A K - 0 0 49 5,-2.5 3,-0.5 -2,-0.2 5,-0.2 -0.613 3.7-143.5 -74.9 138.6 17.0 82.4 91.7 57 59 A S S S+ 0 0 113 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.743 97.9 77.6 -71.0 -31.0 18.3 83.7 88.4 58 60 A D S S- 0 0 122 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.914 103.0-132.0 -23.9 -61.6 17.4 87.2 89.8 59 61 A G S S+ 0 0 63 -3,-0.5 -1,-0.1 2,-0.3 -2,-0.1 0.290 76.0 117.6 101.8 -2.8 20.6 86.8 91.8 60 62 A T S S- 0 0 118 1,-0.2 2,-0.3 -5,-0.0 -3,-0.1 0.882 84.5 -92.2 -49.5 -43.1 18.9 87.9 95.0 61 63 A G - 0 0 36 -5,-0.2 -5,-2.5 -7,-0.0 -2,-0.3 -0.950 57.8 -39.1 148.6-151.1 19.6 84.5 96.6 62 64 A T E -M 55 0B 74 -2,-0.3 2,-0.5 -7,-0.2 -9,-0.0 -0.809 31.1-140.6-127.2 150.0 17.8 81.1 96.9 63 65 A I E -M 54 0B 84 -9,-3.1 -9,-3.2 -2,-0.3 2,-0.5 -0.946 11.7-166.2-106.7 131.9 14.3 79.6 97.4 64 66 A Y E -M 53 0B 70 -2,-0.5 2,-0.5 -11,-0.2 -11,-0.2 -0.971 7.8-164.1-111.0 125.6 13.8 76.5 99.6 65 67 A T E -M 52 0B 33 -13,-2.1 -13,-2.0 -2,-0.5 2,-0.2 -0.954 18.7-125.8-114.1 129.3 10.4 74.9 99.2 66 68 A E E -M 51 0B 75 -2,-0.5 24,-2.5 -15,-0.2 2,-0.3 -0.487 24.0-140.2 -73.8 140.7 9.2 72.4 101.8 67 69 A L B -P 89 0C 10 -17,-3.1 22,-0.2 22,-0.2 -1,-0.1 -0.682 7.1-127.3-101.1 153.0 8.2 68.9 100.6 68 70 A E - 0 0 45 20,-3.2 -19,-0.1 -2,-0.3 22,-0.1 -0.412 49.2 -73.8 -88.6 170.0 5.3 66.7 101.7 69 71 A P - 0 0 119 0, 0.0 19,-0.3 0, 0.0 -1,-0.1 -0.549 67.9-107.6 -65.5 135.3 5.8 63.1 102.8 70 72 A P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 17,-0.2 -0.193 15.4-127.3 -74.3 152.4 6.5 61.1 99.6 71 73 A C E -N 86 0B 23 15,-2.4 15,-2.1 42,-0.1 2,-0.4 -0.854 21.2-138.8 -84.2 134.0 4.5 58.6 97.5 72 74 A R E +N 85 0B 152 -2,-0.5 2,-0.3 13,-0.2 13,-0.2 -0.742 34.9 154.3 -85.6 130.5 6.0 55.3 96.7 73 75 A F E -N 84 0B 13 11,-2.1 11,-2.5 -2,-0.4 2,-0.4 -0.971 31.7-133.4-150.1 167.7 5.5 54.0 93.2 74 76 A V E -N 83 0B 18 -2,-0.3 37,-2.4 9,-0.2 2,-0.4 -0.966 15.8-162.0-127.3 129.7 7.3 51.7 90.8 75 77 A T E -NO 82 110B 7 7,-2.7 7,-2.3 -2,-0.4 2,-0.4 -0.890 19.6-125.8-115.1 150.1 8.1 52.2 87.2 76 78 A D + 0 0 81 33,-2.1 33,-0.4 -2,-0.4 3,-0.0 -0.755 39.1 167.8 -84.7 127.7 9.1 49.8 84.4 77 79 A T > - 0 0 46 -2,-0.4 3,-1.5 3,-0.4 31,-0.0 -0.803 53.4-100.0-128.9 171.7 12.3 50.9 82.7 78 80 A P T 3 S+ 0 0 146 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.855 126.5 55.2 -64.3 -28.8 14.7 49.3 80.2 79 81 A K T 3 S- 0 0 173 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 0.200 124.5-100.6 -83.5 18.2 16.9 48.6 83.3 80 82 A G < - 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0 0 9 -3,-2.4 -1,-0.2 -52,-0.1 -4,-0.0 -0.364 38.9-124.7 -48.9 122.3 -15.6 65.1 88.8 204 95 B N > - 0 0 83 1,-0.1 4,-1.6 -2,-0.0 3,-0.2 -0.195 22.9-104.9 -64.8 162.8 -13.6 66.3 91.8 205 96 B N H > S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 -107,-0.1 0.741 116.4 62.8 -65.7 -24.5 -10.6 68.7 91.1 206 97 B L H > S+ 0 0 27 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.939 108.9 40.5 -66.5 -46.5 -8.0 66.0 91.7 207 98 B N H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.750 109.7 60.2 -75.9 -28.3 -9.3 63.9 88.8 208 99 B R H X S+ 0 0 50 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.835 105.8 49.2 -60.1 -39.2 -9.8 67.1 86.8 209 100 B G H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 5,-0.3 0.925 108.3 53.1 -64.0 -46.6 -6.0 67.6 87.2 210 101 B M H X S+ 0 0 16 -4,-1.8 4,-1.8 1,-0.2 3,-0.3 0.927 110.4 46.5 -58.1 -42.9 -5.4 64.0 86.2 211 102 B V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.953 112.7 49.3 -67.2 -46.5 -7.4 64.5 83.0 212 103 B L H X S+ 0 0 50 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.755 112.4 48.3 -60.9 -27.4 -5.7 67.8 82.2 213 104 B G H X S+ 0 0 4 -4,-2.0 4,-1.0 -3,-0.3 -1,-0.2 0.753 111.5 49.1 -89.1 -30.0 -2.2 66.4 82.7 214 105 B S H X S+ 0 0 1 -4,-1.8 4,-1.6 -5,-0.3 -2,-0.2 0.769 106.9 57.2 -73.6 -27.7 -3.0 63.4 80.6 215 106 B L H X S+ 0 0 4 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.904 103.7 52.5 -68.5 -42.9 -4.3 65.7 77.8 216 107 B A H < S+ 0 0 54 -4,-1.2 5,-0.4 1,-0.2 -1,-0.2 0.868 114.2 43.6 -61.3 -37.2 -1.0 67.5 77.7 217 108 B A H < S+ 0 0 48 -4,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.751 122.3 34.7 -76.5 -29.5 0.9 64.2 77.3 218 109 B T H < S+ 0 0 56 -4,-1.6 2,-0.4 1,-0.1 -2,-0.2 0.526 113.6 56.0-108.1 -8.7 -1.5 62.5 74.7 219 110 B V S < S- 0 0 27 -4,-1.8 2,-1.4 -5,-0.1 -1,-0.1 -0.985 84.8-115.2-132.8 134.0 -2.6 65.5 72.6 220 111 B R - 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