==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 31-DEC-11 3VB7 . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR C.P.CHUCK,K.B.WONG . 613 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 67.0 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 . 148 24.1 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 . 62 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.1 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 2 0 3 3 3 0 1 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 . 12 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 0 0 2 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 42 0, 0.0 441,-2.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 168.8 12.2 5.3 5.6 2 2 A G - 0 0 17 439,-0.2 2,-0.3 1,-0.1 439,-0.2 -0.131 360.0-121.8 97.4 164.6 12.6 2.1 7.7 3 3 A F + 0 0 29 437,-0.3 2,-0.3 -2,-0.1 -1,-0.1 -0.885 28.8 173.9-153.1 119.2 10.0 0.4 9.9 4 4 A R - 0 0 35 -2,-0.3 2,-1.5 426,-0.0 426,-0.0 -0.905 45.0-107.6-125.7 147.0 10.4 -0.5 13.6 5 5 A K - 0 0 71 -2,-0.3 2,-0.4 424,-0.1 424,-0.3 -0.629 57.2-169.3 -68.9 95.6 8.2 -1.9 16.4 6 6 A M - 0 0 30 -2,-1.5 2,-0.2 422,-0.1 422,-0.2 -0.757 15.7-157.8-102.9 134.8 8.0 1.6 18.0 7 7 A A B -A 427 0A 5 420,-2.9 420,-2.6 -2,-0.4 120,-0.1 -0.644 30.8 -97.9 -99.9 163.7 6.7 2.4 21.5 8 8 A F - 0 0 14 142,-0.2 418,-0.2 418,-0.2 417,-0.1 -0.529 53.3 -87.6 -73.2 150.4 5.3 5.8 22.7 9 9 A P - 0 0 8 0, 0.0 3,-0.4 0, 0.0 4,-0.1 -0.409 40.6-150.7 -59.0 134.1 7.8 7.9 24.7 10 10 A S >> + 0 0 0 300,-0.2 4,-2.5 1,-0.2 3,-1.3 0.478 66.3 101.1 -94.1 -3.9 7.3 6.7 28.3 11 11 A G H 3> S+ 0 0 17 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.840 78.2 55.0 -51.4 -44.6 8.2 9.9 30.2 12 12 A K H 34 S+ 0 0 80 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.819 115.3 41.4 -63.2 -26.0 4.7 11.0 31.0 13 13 A V H X> S+ 0 0 0 -3,-1.3 3,-2.3 -4,-0.1 4,-0.5 0.843 105.0 63.5 -87.7 -37.1 4.0 7.5 32.5 14 14 A E H >< S+ 0 0 35 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.888 97.6 58.3 -52.8 -42.2 7.4 7.3 34.3 15 15 A G T 3< S+ 0 0 22 -4,-1.7 -1,-0.3 1,-0.3 82,-0.3 0.394 105.1 52.4 -73.0 4.8 6.4 10.3 36.5 16 16 A C T <4 S+ 0 0 0 -3,-2.3 15,-3.4 81,-0.1 2,-0.3 0.464 82.6 111.4-113.6 -6.6 3.3 8.4 37.7 17 17 A M E << +K 30 0B 14 -3,-1.4 54,-0.3 -4,-0.5 2,-0.2 -0.533 36.9 161.2 -81.3 131.7 4.9 5.2 38.8 18 18 A V E -K 29 0B 1 11,-2.3 11,-2.2 -2,-0.3 2,-0.4 -0.793 35.7-110.6-133.8-179.8 5.0 4.3 42.5 19 19 A Q E -KL 28 69B 32 50,-2.6 50,-2.5 -2,-0.2 2,-0.4 -0.911 23.9-164.2-115.2 137.3 5.5 1.3 44.8 20 20 A V E -KL 27 68B 0 7,-2.9 7,-2.1 -2,-0.4 2,-0.4 -0.988 7.9-173.1-127.4 126.0 2.7 -0.3 46.9 21 21 A T E +KL 26 67B 15 46,-3.0 46,-3.0 -2,-0.4 2,-0.4 -0.944 14.8 179.1-124.6 136.4 3.4 -2.7 49.7 22 22 A C E > S-KL 25 66B 5 3,-2.5 3,-2.4 -2,-0.4 2,-0.4 -0.946 70.5 -54.1-132.7 109.9 1.1 -4.7 51.9 23 23 A G T 3 S- 0 0 70 42,-0.5 20,-0.0 -2,-0.4 22,-0.0 -0.425 124.9 -13.8 59.3-112.6 2.9 -6.8 54.4 24 24 A T T 3 S+ 0 0 145 -2,-0.4 2,-0.6 -3,-0.1 -1,-0.3 0.370 117.6 94.9-103.4 2.7 5.4 -8.8 52.4 25 25 A T E < +K 22 0B 41 -3,-2.4 -3,-2.5 17,-0.2 2,-0.4 -0.862 48.3 178.6-101.3 121.0 3.9 -8.1 49.0 26 26 A T E +K 21 0B 43 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.968 11.4 147.6-118.8 136.8 5.2 -5.3 46.8 27 27 A L E -K 20 0B 4 -7,-2.1 -7,-2.9 -2,-0.4 2,-0.2 -0.881 45.6 -75.7-147.6-175.3 4.0 -4.3 43.3 28 28 A N E -K 19 0B 0 117,-2.7 2,-0.3 -2,-0.3 -9,-0.2 -0.561 37.1-168.9 -90.5 150.4 3.6 -1.2 41.1 29 29 A G E -K 18 0B 0 -11,-2.2 -11,-2.3 -2,-0.2 2,-0.5 -0.925 21.0-126.9-130.6 160.3 1.0 1.4 41.4 30 30 A L E -KM 17 37B 0 7,-3.0 7,-2.8 -2,-0.3 2,-0.7 -0.944 21.8-156.4-111.6 121.5 -0.1 4.3 39.1 31 31 A W E + M 0 36B 23 -15,-3.4 2,-0.4 -2,-0.5 5,-0.2 -0.850 19.1 167.7-107.2 107.4 -0.2 7.7 40.9 32 32 A L E > - M 0 35B 1 3,-2.6 3,-2.5 -2,-0.7 2,-0.2 -0.983 63.7 -44.3-122.9 127.9 -2.5 10.3 39.3 33 33 A D T 3 S- 0 0 77 62,-0.5 62,-1.6 -2,-0.4 64,-0.1 -0.381 126.1 -21.1 50.9-118.2 -3.4 13.5 41.1 34 34 A D T 3 S+ 0 0 61 60,-0.2 57,-2.6 -2,-0.2 2,-0.4 0.198 122.4 84.1-106.3 18.4 -4.2 12.3 44.7 35 35 A T E < -MN 32 90B 15 -3,-2.5 -3,-2.6 55,-0.2 2,-0.5 -0.931 55.9-155.8-127.2 143.0 -5.0 8.6 43.9 36 36 A V E -MN 31 89B 0 53,-2.6 53,-3.1 -2,-0.4 2,-0.4 -0.976 11.4-160.5-116.2 126.9 -2.9 5.5 43.5 37 37 A Y E +MN 30 88B 12 -7,-2.8 -7,-3.0 -2,-0.5 51,-0.2 -0.900 23.0 150.6-105.3 134.1 -4.2 2.6 41.4 38 38 A C E - N 0 87B 0 49,-1.8 49,-2.9 -2,-0.4 -9,-0.1 -0.972 52.2 -75.4-153.1 164.6 -2.8 -0.9 41.8 39 39 A P E > - N 0 86B 0 0, 0.0 3,-1.4 0, 0.0 47,-0.2 -0.395 37.9-133.9 -62.1 137.9 -3.9 -4.6 41.4 40 40 A R G > S+ 0 0 41 45,-2.5 3,-2.2 1,-0.3 46,-0.1 0.738 96.5 79.7 -67.0 -19.6 -6.1 -5.6 44.4 41 41 A H G > + 0 0 11 44,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.519 66.8 87.9 -70.8 0.3 -4.1 -8.9 44.7 42 42 A V G < S+ 0 0 1 -3,-1.4 -1,-0.3 1,-0.2 -17,-0.2 0.768 85.1 57.1 -62.7 -22.9 -1.5 -6.8 46.5 43 43 A I G < S+ 0 0 11 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.2 0.450 86.4 111.2 -88.3 2.2 -3.5 -7.6 49.6 44 44 A C < - 0 0 9 -3,-1.5 5,-0.1 -4,-0.1 -22,-0.1 -0.583 60.5-135.5 -89.5 137.4 -3.3 -11.4 49.2 45 45 A T - 0 0 85 -2,-0.3 3,-0.4 2,-0.1 4,-0.4 -0.306 29.2-107.3 -73.7 163.9 -1.4 -13.9 51.4 46 46 A A S > S+ 0 0 88 1,-0.3 2,-2.4 2,-0.2 3,-2.2 0.984 117.8 34.8 -54.8 -84.2 0.7 -16.6 49.9 47 47 A E T 3 S+ 0 0 198 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 -0.500 114.5 65.6 -72.1 80.0 -1.5 -19.7 50.7 48 48 A D T > S+ 0 0 34 -2,-2.4 3,-0.6 -3,-0.4 -1,-0.3 0.181 72.8 82.4-178.5 -26.0 -4.5 -17.5 50.1 49 49 A M T < S+ 0 0 13 -3,-2.2 140,-3.1 -4,-0.4 -2,-0.1 0.477 77.4 77.8 -79.2 -1.1 -4.2 -16.7 46.4 50 50 A L T 3 S- 0 0 123 1,-0.2 -1,-0.2 -4,-0.2 -3,-0.1 0.888 120.3 -4.3 -73.8 -40.6 -5.8 -20.0 45.7 51 51 A N S < S- 0 0 129 -3,-0.6 -1,-0.2 137,-0.1 -2,-0.1 -0.440 85.0-177.2-154.7 66.4 -9.3 -18.9 46.4 52 52 A P - 0 0 14 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.411 21.4-153.5 -75.0 142.2 -9.3 -15.3 47.7 53 53 A N > - 0 0 92 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.919 12.3-171.4-110.2 105.8 -12.3 -13.4 48.9 54 54 A Y H > S+ 0 0 10 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.822 81.8 56.3 -68.9 -36.4 -11.3 -9.8 48.3 55 55 A E H > S+ 0 0 154 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 113.6 44.3 -55.1 -44.4 -14.3 -8.2 50.1 56 56 A D H > S+ 0 0 71 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.882 114.6 46.7 -70.8 -41.6 -13.2 -10.2 53.1 57 57 A L H < S+ 0 0 26 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.891 112.6 50.2 -68.9 -39.3 -9.5 -9.5 52.8 58 58 A L H >< S+ 0 0 18 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.876 100.6 60.1 -70.3 -37.5 -10.0 -5.7 52.2 59 59 A I H 3< S+ 0 0 139 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.796 100.2 59.8 -63.6 -22.4 -12.3 -5.1 55.2 60 60 A R T 3< S+ 0 0 174 -4,-0.7 2,-0.3 -3,-0.4 -1,-0.3 0.415 94.9 84.8 -81.9 -0.1 -9.5 -6.3 57.4 61 61 A K < - 0 0 59 -3,-2.3 2,-0.3 -4,-0.0 -18,-0.0 -0.774 60.0-158.0-105.9 149.6 -7.2 -3.6 56.2 62 62 A S > - 0 0 37 -2,-0.3 3,-1.5 1,-0.1 4,-0.4 -0.760 37.9-102.3-112.4 167.5 -6.8 0.0 57.3 63 63 A N G > S+ 0 0 50 -2,-0.3 3,-1.1 1,-0.3 14,-0.3 0.876 121.4 56.5 -52.2 -37.9 -5.3 3.0 55.4 64 64 A H G 3 S+ 0 0 167 1,-0.2 -1,-0.3 12,-0.1 14,-0.0 0.573 89.9 69.9 -80.5 -6.4 -2.1 2.6 57.4 65 65 A S G < S+ 0 0 39 -3,-1.5 2,-0.6 -43,-0.1 -42,-0.5 0.626 85.3 84.7 -82.2 -9.5 -1.5 -1.0 56.4 66 66 A F E < -L 22 0B 6 -3,-1.1 2,-0.7 -4,-0.4 11,-0.4 -0.821 65.4-160.4 -93.7 123.6 -0.7 0.2 52.9 67 67 A L E -L 21 0B 59 -46,-3.0 -46,-3.0 -2,-0.6 2,-0.5 -0.899 13.2-178.0-102.9 106.4 2.9 1.4 52.3 68 68 A V E -LO 20 75B 0 -2,-0.7 7,-3.1 7,-0.6 2,-0.4 -0.909 3.3-175.1-105.6 132.4 3.0 3.6 49.2 69 69 A Q E -LO 19 74B 42 -50,-2.5 -50,-2.6 -2,-0.5 2,-0.7 -0.991 25.2-158.2-132.9 130.5 6.3 5.0 48.1 70 70 A A E > S- O 0 73B 26 3,-2.9 3,-2.8 -2,-0.4 -52,-0.1 -0.934 77.6 -58.7 -97.6 110.9 7.4 7.4 45.4 71 71 A G T 3 S- 0 0 56 -2,-0.7 -52,-0.1 1,-0.3 50,-0.0 -0.299 125.7 -8.4 46.2-122.1 11.0 6.4 45.0 72 72 A N T 3 S+ 0 0 160 -3,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.671 121.5 89.2 -67.2 -20.0 12.5 6.9 48.5 73 73 A V E < -O 70 0B 89 -3,-2.8 -3,-2.9 1,-0.0 2,-0.1 -0.738 68.5-134.5-110.7 123.3 9.5 8.6 49.9 74 74 A Q E -O 69 0B 126 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.3 -0.404 14.8-151.9 -67.9 135.1 6.4 7.3 51.7 75 75 A L E -O 68 0B 12 -7,-3.1 -7,-0.6 -2,-0.1 2,-0.3 -0.954 22.2-122.6-108.6 119.5 3.0 8.8 50.7 76 76 A R - 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