==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-OCT-12 4HI3 . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR C.-G.WU,C.-Y.CHOU . 601 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 64.9 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 . 140 23.3 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 . 51 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 18.1 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 3 0 3 4 1 0 2 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 . 8 0 6 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 2 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 59 0, 0.0 440,-1.9 0, 0.0 299,-0.1 0.000 360.0 360.0 360.0 162.9 25.7 8.8 33.4 2 2 A G - 0 0 31 438,-0.2 2,-0.6 297,-0.1 469,-0.0 0.294 360.0-118.4 100.2 131.1 24.7 12.2 31.9 3 3 A F + 0 0 66 437,-0.1 2,-0.3 436,-0.0 293,-0.1 -0.916 44.2 155.6-100.5 119.3 21.3 13.5 30.7 4 4 A R - 0 0 32 -2,-0.6 2,-0.6 291,-0.1 435,-0.0 -0.998 47.6-117.6-141.4 139.1 21.3 14.5 27.0 5 5 A K - 0 0 79 -2,-0.3 2,-0.4 122,-0.1 122,-0.1 -0.694 43.5-162.2 -72.9 120.2 18.6 14.7 24.4 6 6 A M - 0 0 34 -2,-0.6 2,-0.3 421,-0.1 421,-0.2 -0.888 11.8-151.4-114.2 140.0 19.8 12.2 21.9 7 7 A A B -A 426 0A 5 419,-2.2 419,-2.2 -2,-0.4 120,-0.1 -0.685 30.1-103.6-100.2 158.0 18.7 11.8 18.3 8 8 A F - 0 0 61 -2,-0.3 417,-0.2 142,-0.3 2,-0.1 -0.492 50.3 -85.5 -72.6 152.9 18.8 8.5 16.5 9 9 A P - 0 0 9 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.437 40.3-152.0 -60.8 137.7 21.7 7.9 14.0 10 10 A S > + 0 0 0 1,-0.2 4,-3.1 2,-0.1 3,-0.4 0.307 63.2 104.3-102.8 5.8 20.6 9.5 10.7 11 11 A G H > S+ 0 0 18 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.870 80.4 51.5 -60.5 -42.1 22.5 7.4 8.1 12 12 A K H 4 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.832 116.2 43.1 -65.0 -32.9 19.5 5.3 7.0 13 13 A V H >4 S+ 0 0 0 -3,-0.4 3,-2.9 -4,-0.2 4,-0.5 0.907 103.7 62.6 -77.9 -45.2 17.6 8.5 6.4 14 14 A E H >< S+ 0 0 35 -4,-3.1 3,-1.0 1,-0.3 -2,-0.2 0.823 96.7 62.6 -48.5 -34.4 20.4 10.6 4.8 15 15 A G T 3< S+ 0 0 20 -4,-1.3 -1,-0.3 1,-0.2 82,-0.3 0.553 103.0 49.0 -68.5 -9.3 20.3 8.0 2.0 16 16 A C T < S+ 0 0 0 -3,-2.9 15,-3.8 81,-0.1 2,-0.4 0.397 82.9 109.5-111.1 -0.8 16.7 8.9 1.1 17 17 A M E < +I 30 0B 12 -3,-1.0 2,-0.3 -4,-0.5 54,-0.2 -0.651 39.0 163.9 -87.1 132.4 16.9 12.7 0.9 18 18 A V E -I 29 0B 2 11,-2.4 11,-2.3 -2,-0.4 2,-0.5 -0.846 37.7-110.0-136.5 166.9 16.7 14.3 -2.5 19 19 A Q E -IJ 28 69B 39 50,-2.7 50,-2.6 -2,-0.3 2,-0.4 -0.915 28.6-163.9-103.0 129.4 16.1 17.8 -3.9 20 20 A V E -IJ 27 68B 0 7,-3.0 7,-2.8 -2,-0.5 2,-0.4 -0.958 6.4-173.4-114.3 131.0 12.8 18.5 -5.6 21 21 A T E +IJ 26 67B 19 46,-2.6 46,-2.9 -2,-0.4 2,-0.3 -0.967 11.7 173.0-122.7 140.1 12.2 21.5 -7.8 22 22 A C E > S-IJ 25 66B 5 3,-2.5 3,-2.5 -2,-0.4 2,-0.1 -0.957 70.6 -39.5-140.8 126.9 9.1 22.8 -9.4 23 23 A G T 3 S- 0 0 65 42,-0.5 20,-0.1 -2,-0.3 22,-0.1 -0.362 126.4 -25.1 55.1-122.0 9.2 26.2 -11.2 24 24 A T T 3 S+ 0 0 145 -2,-0.1 2,-0.5 18,-0.1 -1,-0.3 0.405 116.7 100.2-100.8 4.7 11.3 28.4 -8.9 25 25 A T E < -I 22 0B 47 -3,-2.5 -3,-2.5 17,-0.3 2,-0.4 -0.807 47.0-178.3 -95.6 125.6 10.7 26.4 -5.7 26 26 A T E +I 21 0B 45 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.969 16.9 141.6-115.1 136.6 13.3 24.0 -4.5 27 27 A L E -I 20 0B 4 -7,-2.8 -7,-3.0 -2,-0.4 2,-0.3 -0.857 46.8 -70.1-154.1-170.6 12.8 21.8 -1.3 28 28 A N E -I 19 0B 0 117,-2.5 2,-0.3 -2,-0.3 -9,-0.2 -0.652 37.1-174.3 -96.6 148.8 13.5 18.4 0.1 29 29 A G E -I 18 0B 0 -11,-2.3 -11,-2.4 -2,-0.3 2,-0.5 -0.919 23.6-124.3-134.9 161.5 11.9 15.1 -0.8 30 30 A L E -IK 17 37B 0 7,-2.6 7,-2.7 -2,-0.3 2,-0.8 -0.947 19.7-153.8-113.2 119.8 12.1 11.6 0.6 31 31 A W E + K 0 36B 21 -15,-3.8 2,-0.4 -2,-0.5 5,-0.2 -0.846 22.4 165.7-103.1 104.2 13.1 8.9 -1.9 32 32 A L E > - K 0 35B 1 3,-2.7 3,-2.5 -2,-0.8 2,-0.1 -0.986 63.7 -42.3-121.0 123.4 11.8 5.5 -0.9 33 33 A D T 3 S- 0 0 67 -2,-0.4 62,-2.8 62,-0.4 64,-0.1 -0.406 124.0 -26.7 56.7-128.7 11.8 2.6 -3.5 34 34 A D T 3 S+ 0 0 53 60,-0.3 57,-2.3 -2,-0.1 2,-0.4 0.128 122.8 92.4 -99.9 19.1 10.6 4.2 -6.8 35 35 A T E < -KL 32 90B 18 -3,-2.5 -3,-2.7 55,-0.2 2,-0.5 -0.940 55.7-159.0-116.3 139.6 8.6 7.0 -5.0 36 36 A V E -KL 31 89B 0 53,-2.4 53,-2.7 -2,-0.4 2,-0.4 -0.971 11.6-160.8-113.9 123.4 9.5 10.5 -4.0 37 37 A Y E +KL 30 88B 10 -7,-2.7 -7,-2.6 -2,-0.5 51,-0.2 -0.881 22.5 149.4-102.8 132.0 7.5 12.2 -1.2 38 38 A C E - L 0 87B 0 49,-1.8 49,-3.3 -2,-0.4 -9,-0.1 -0.980 53.7 -75.3-154.0 163.9 7.5 16.0 -0.8 39 39 A P E > - L 0 86B 0 0, 0.0 3,-1.6 0, 0.0 47,-0.2 -0.394 39.1-134.0 -62.7 137.2 5.1 18.8 0.4 40 40 A R G > S+ 0 0 48 45,-2.6 3,-2.0 1,-0.3 4,-0.2 0.723 95.5 80.0 -67.3 -18.9 2.5 19.5 -2.3 41 41 A H G > + 0 0 22 44,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.616 68.7 83.9 -68.0 -9.2 3.1 23.3 -1.9 42 42 A V G < S+ 0 0 1 -3,-1.6 -17,-0.3 1,-0.3 -1,-0.3 0.765 85.0 60.6 -58.4 -25.4 6.2 23.0 -4.1 43 43 A I G < S+ 0 0 7 -3,-2.0 -1,-0.3 -4,-0.1 2,-0.2 0.633 92.8 87.1 -77.3 -14.3 3.7 23.2 -7.0 44 44 A C < - 0 0 6 -3,-1.5 2,-0.1 -4,-0.2 -22,-0.1 -0.529 63.1-149.9 -86.1 151.2 2.5 26.7 -5.9 45 45 A T > - 0 0 60 -2,-0.2 4,-1.3 -22,-0.1 -1,-0.1 -0.316 43.4 -90.0 -93.6-170.3 3.9 30.1 -6.7 46 46 A A H > S+ 0 0 85 1,-0.2 4,-0.6 2,-0.2 3,-0.2 0.933 127.8 49.6 -67.8 -45.8 3.6 33.1 -4.3 47 47 A E H 4 S+ 0 0 144 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.777 108.5 54.6 -62.1 -31.6 0.2 34.2 -5.8 48 48 A D H >4 S+ 0 0 43 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.882 93.6 68.0 -70.2 -41.9 -1.2 30.7 -5.5 49 49 A M H 3< S+ 0 0 30 -4,-1.3 140,-2.7 1,-0.3 141,-0.3 0.758 86.8 68.9 -53.7 -30.9 -0.5 30.2 -1.8 50 50 A L T 3< S- 0 0 115 -4,-0.6 -1,-0.3 -3,-0.3 140,-0.2 0.924 131.6 -9.8 -54.8 -48.5 -3.1 32.9 -0.8 51 51 A N S < S- 0 0 119 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.504 83.4-167.2-151.4 80.5 -5.8 30.5 -2.0 52 52 A P - 0 0 19 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.510 17.6-156.6 -81.0 129.7 -4.5 27.4 -3.8 53 53 A N > - 0 0 102 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.858 18.0-173.5 -93.7 97.4 -6.7 25.1 -5.8 54 54 A Y H > S+ 0 0 15 -2,-0.9 4,-2.8 1,-0.2 5,-0.2 0.853 78.9 51.5 -69.5 -37.6 -4.4 22.1 -5.6 55 55 A E H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 113.8 46.9 -59.5 -45.3 -6.3 19.8 -7.9 56 56 A D H > S+ 0 0 53 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.893 112.4 48.6 -63.8 -43.7 -6.3 22.6 -10.5 57 57 A L H X S+ 0 0 23 -4,-2.6 4,-0.5 1,-0.2 3,-0.4 0.935 112.2 48.3 -66.0 -43.0 -2.6 23.3 -10.0 58 58 A L H >< S+ 0 0 20 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.891 106.8 57.4 -62.9 -39.1 -1.7 19.6 -10.3 59 59 A I H 3< S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.865 105.3 51.8 -56.8 -36.4 -3.8 19.3 -13.5 60 60 A R H 3< S+ 0 0 178 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.562 98.7 86.5 -83.4 -6.4 -1.8 22.1 -15.1 61 61 A K << - 0 0 63 -3,-1.3 2,-0.3 -4,-0.5 3,-0.1 -0.373 62.0-152.3 -84.0 166.3 1.5 20.3 -14.3 62 62 A S > - 0 0 46 -2,-0.1 3,-1.5 1,-0.1 4,-0.5 -0.894 32.8-105.4-129.9 166.2 3.4 17.7 -16.3 63 63 A N G > S+ 0 0 62 -2,-0.3 3,-1.5 1,-0.3 14,-0.2 0.931 122.6 54.9 -52.4 -47.2 5.8 14.9 -15.4 64 64 A H G 3 S+ 0 0 147 1,-0.3 -1,-0.3 14,-0.1 14,-0.0 0.584 91.3 74.8 -68.3 -9.2 8.6 17.0 -16.8 65 65 A S G < S+ 0 0 29 -3,-1.5 2,-0.6 -43,-0.1 -42,-0.5 0.749 84.5 75.3 -68.3 -23.9 7.7 19.9 -14.5 66 66 A F E < -J 22 0B 4 -3,-1.5 2,-0.6 -4,-0.5 11,-0.4 -0.819 65.9-163.5-103.1 120.2 9.2 18.1 -11.5 67 67 A L E -J 21 0B 82 -46,-2.9 -46,-2.6 -2,-0.6 2,-0.5 -0.902 6.7-174.2-108.8 121.8 12.9 18.0 -11.1 68 68 A V E -JM 20 75B 1 7,-0.6 7,-3.2 -2,-0.6 2,-0.5 -0.973 1.4-176.4-121.9 121.9 14.4 15.5 -8.7 69 69 A Q E -JM 19 74B 66 -50,-2.6 -50,-2.7 -2,-0.5 2,-0.6 -0.978 10.5-171.3-120.0 125.3 18.1 15.4 -8.0 70 70 A A E > S- M 0 73B 19 3,-2.9 3,-2.5 -2,-0.5 2,-0.2 -0.953 70.0 -54.7-114.3 110.3 19.8 12.8 -5.8 71 71 A G T 3 S- 0 0 63 -2,-0.6 -52,-0.1 1,-0.3 50,-0.0 -0.440 123.8 -18.6 53.9-121.3 23.4 13.9 -5.2 72 72 A N T 3 S+ 0 0 163 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.351 119.0 100.4 -90.6 5.1 24.8 14.4 -8.7 73 73 A V E < -M 70 0B 89 -3,-2.5 -3,-2.9 0, 0.0 2,-0.4 -0.824 62.0-146.1-104.7 123.3 22.1 12.3 -10.4 74 74 A Q E -M 69 0B 127 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.715 20.2-150.2 -74.9 130.7 19.0 13.6 -12.2 75 75 A L E -M 68 0B 16 -7,-3.2 -7,-0.6 -2,-0.4 2,-0.6 -0.759 12.5-124.3 -98.2 151.4 16.1 11.3 -11.6 76 76 A R - 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