==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-11 3TLO . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN CORONAVIRUS; . AUTHOR C.P.CHUCK,K.B.WONG . 604 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 379 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 22.5 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 . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 . 46 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 1 3 0 2 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 2 4 4 4 4 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 47 0, 0.0 441,-1.7 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 178.9 20.7 17.4 19.2 2 2 A G - 0 0 30 439,-0.2 2,-0.4 1,-0.1 439,-0.1 -0.153 360.0-128.9 108.0 152.0 17.1 17.5 20.5 3 3 A L + 0 0 20 437,-0.2 2,-0.4 -2,-0.1 438,-0.1 -0.943 35.7 161.6-139.6 113.2 13.9 15.7 19.6 4 4 A K - 0 0 26 -2,-0.4 2,-0.5 437,-0.0 437,-0.0 -0.998 43.4-115.9-138.9 134.4 10.9 17.9 19.0 5 5 A K + 0 0 34 -2,-0.4 2,-0.3 121,-0.1 121,-0.1 -0.589 51.4 170.1 -71.1 119.7 7.6 17.2 17.3 6 6 A M - 0 0 29 -2,-0.5 2,-0.4 119,-0.1 422,-0.2 -0.800 31.3-121.6-127.4 170.1 7.7 19.6 14.3 7 7 A A B -A 427 0A 2 420,-2.4 420,-2.5 -2,-0.3 119,-0.1 -0.852 28.6-113.2-105.7 148.9 5.8 20.2 11.2 8 8 A Q - 0 0 58 -2,-0.4 418,-0.2 418,-0.2 417,-0.1 -0.507 61.5 -73.2 -70.3 152.3 7.2 20.2 7.7 9 9 A P - 0 0 21 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.156 41.9-152.3 -56.5 146.3 7.1 23.8 6.3 10 10 A S >> + 0 0 0 1,-0.2 4,-2.8 2,-0.1 3,-1.1 0.477 63.5 102.5-100.8 -5.8 3.6 25.0 5.3 11 11 A G H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.875 81.8 48.3 -48.1 -51.9 4.2 27.5 2.5 12 12 A C H 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.756 116.1 45.4 -67.9 -22.4 3.3 25.3 -0.4 13 13 A V H X> S+ 0 0 0 -3,-1.1 3,-1.9 2,-0.2 4,-0.6 0.828 104.7 60.0 -87.4 -37.5 0.1 24.2 1.3 14 14 A E H >< S+ 0 0 52 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.883 98.3 61.1 -52.2 -39.6 -0.9 27.7 2.5 15 15 A R T 3< S+ 0 0 53 -4,-1.6 -1,-0.3 1,-0.3 81,-0.2 0.558 106.3 47.2 -69.0 -6.7 -0.9 28.8 -1.2 16 16 A C T <4 S+ 0 0 0 -3,-1.9 15,-3.4 2,-0.0 2,-0.3 0.463 85.0 107.1-109.1 -10.2 -3.7 26.2 -1.8 17 17 A V E << -I 30 0B 3 -3,-1.2 2,-0.3 -4,-0.6 53,-0.3 -0.582 46.2-179.9 -77.8 134.9 -6.0 27.0 1.1 18 18 A V E -I 29 0B 0 11,-2.4 11,-2.4 -2,-0.3 2,-0.5 -0.892 30.8-116.5-129.7 158.4 -9.3 28.8 0.2 19 19 A R E -IJ 28 68B 63 49,-2.8 49,-2.2 -2,-0.3 2,-0.5 -0.851 30.6-164.9 -89.7 126.5 -12.3 30.1 2.0 20 20 A V E +IJ 27 67B 0 7,-2.8 7,-2.5 -2,-0.5 2,-0.4 -0.975 8.8 179.7-118.2 125.3 -15.5 28.3 0.9 21 21 A C E +IJ 26 66B 14 45,-2.9 45,-2.2 -2,-0.5 2,-0.4 -0.964 13.7 179.8-125.9 138.9 -18.9 29.7 1.8 22 22 A Y E > S-IJ 25 65B 30 3,-2.3 3,-2.0 -2,-0.4 2,-0.2 -0.957 73.5 -42.2-135.6 118.3 -22.4 28.5 1.0 23 23 A G T 3 S- 0 0 49 41,-1.5 20,-0.0 -2,-0.4 19,-0.0 -0.491 125.4 -26.8 57.5-126.1 -25.1 30.7 2.3 24 24 A S T 3 S+ 0 0 122 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.505 115.3 104.4 -92.4 -7.4 -23.9 31.7 5.8 25 25 A T E < -I 22 0B 33 -3,-2.0 -3,-2.3 17,-0.3 2,-0.4 -0.638 49.6-174.0 -84.3 128.6 -21.8 28.6 6.4 26 26 A V E +I 21 0B 32 -2,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.967 15.5 140.0-125.5 137.8 -18.0 29.1 6.0 27 27 A L E -I 20 0B 1 -7,-2.5 -7,-2.8 -2,-0.4 2,-0.3 -0.860 45.4 -79.1-153.1-167.8 -15.2 26.6 6.1 28 28 A N E -I 19 0B 0 116,-2.4 2,-0.3 -2,-0.2 -9,-0.2 -0.755 35.4-178.3-106.7 150.5 -11.9 25.8 4.4 29 29 A G E -I 18 0B 0 -11,-2.4 -11,-2.4 -2,-0.3 2,-0.5 -0.865 24.4-122.4-134.5 172.2 -11.1 24.1 1.1 30 30 A V E -IK 17 37B 0 7,-2.3 7,-2.5 -2,-0.3 2,-0.7 -0.978 18.9-153.3-124.1 122.3 -8.0 23.0 -0.8 31 31 A W E + K 0 36B 15 -15,-3.4 2,-0.4 -2,-0.5 5,-0.2 -0.839 23.0 163.5-102.8 111.3 -7.5 24.4 -4.3 32 32 A L E > - K 0 35B 13 3,-2.7 3,-2.0 -2,-0.7 2,-0.1 -0.994 65.5 -35.4-130.7 125.5 -5.4 22.1 -6.6 33 33 A G T 3 S- 0 0 26 -2,-0.4 61,-2.4 61,-0.4 63,-0.1 -0.441 125.4 -28.5 58.0-132.6 -5.4 22.6 -10.4 34 34 A D T 3 S+ 0 0 61 59,-0.3 56,-2.7 -2,-0.1 2,-0.4 0.092 122.2 89.0 -99.5 24.5 -9.0 23.7 -11.2 35 35 A T E < -KL 32 89B 43 -3,-2.0 -3,-2.7 54,-0.2 2,-0.5 -0.968 55.0-159.9-128.9 134.4 -10.6 21.9 -8.3 36 36 A V E -KL 31 88B 0 52,-3.0 52,-3.6 -2,-0.4 2,-0.5 -0.954 12.3-160.5-108.1 126.9 -11.4 22.9 -4.8 37 37 A T E +KL 30 87B 9 -7,-2.5 -7,-2.3 -2,-0.5 50,-0.2 -0.904 23.2 151.9-105.4 132.5 -12.0 20.0 -2.3 38 38 A C E - L 0 86B 0 48,-1.9 48,-3.1 -2,-0.5 -9,-0.2 -0.987 49.8 -79.2-150.6 162.3 -13.8 20.7 0.9 39 39 A P E > - L 0 85B 0 0, 0.0 3,-1.4 0, 0.0 46,-0.3 -0.367 36.3-129.2 -62.0 143.3 -16.1 19.0 3.5 40 40 A R G > S+ 0 0 42 44,-2.4 3,-2.2 1,-0.3 4,-0.2 0.647 93.7 91.4 -70.3 -13.7 -19.7 18.7 2.4 41 41 A H G > + 0 0 76 43,-0.4 3,-2.0 1,-0.3 -1,-0.3 0.766 69.4 77.5 -45.5 -29.0 -20.8 20.2 5.7 42 42 A V G < S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.3 -17,-0.3 0.781 94.9 45.4 -61.7 -25.4 -20.7 23.5 3.9 43 43 A I G < S+ 0 0 8 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.381 84.7 122.4 -98.0 6.3 -24.0 22.8 2.2 44 44 A A < - 0 0 11 -3,-2.0 -19,-0.1 -4,-0.2 2,-0.1 -0.413 63.8-121.1 -67.3 139.2 -25.8 21.6 5.3 45 45 A P - 0 0 76 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.403 34.9 -94.5 -71.1 158.6 -29.0 23.4 6.2 46 46 A S S S+ 0 0 122 -2,-0.1 2,-0.3 2,-0.0 3,-0.1 -0.669 78.0 112.3 -74.0 119.9 -29.2 25.1 9.6 47 47 A T - 0 0 75 -2,-0.6 4,-0.1 2,-0.1 -3,-0.0 -0.954 64.8-132.8-171.1 171.9 -30.9 22.6 11.9 48 48 A T S S+ 0 0 149 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.509 81.5 92.0-112.5 -15.1 -30.3 20.3 14.8 49 49 A V S S- 0 0 108 1,-0.2 -2,-0.1 -3,-0.1 2,-0.0 -0.192 96.5 -67.1 -73.2 166.6 -31.9 17.3 13.2 50 50 A L - 0 0 133 1,-0.1 2,-0.4 138,-0.1 -1,-0.2 -0.313 53.5-124.9 -56.7 132.0 -30.1 14.7 11.1 51 51 A I - 0 0 22 -3,-0.1 2,-0.8 -4,-0.1 3,-0.1 -0.683 11.5-153.6 -83.5 130.9 -28.8 16.1 7.9 52 52 A D > - 0 0 100 -2,-0.4 4,-2.0 1,-0.2 3,-0.3 -0.886 13.0-174.3 -99.3 97.6 -29.9 14.3 4.7 53 53 A Y H > S+ 0 0 9 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.801 78.9 60.2 -70.9 -28.2 -26.9 15.2 2.4 54 54 A D H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 109.8 43.8 -62.7 -39.7 -28.4 13.7 -0.7 55 55 A H H > S+ 0 0 111 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.891 112.3 52.3 -71.3 -39.1 -31.3 16.1 -0.3 56 56 A A H X S+ 0 0 7 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.903 111.0 48.2 -62.4 -40.5 -29.0 19.0 0.5 57 57 A Y H >< S+ 0 0 74 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.898 109.8 51.6 -67.3 -39.0 -27.0 18.2 -2.7 58 58 A S H 3< S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.799 113.8 43.6 -71.1 -27.3 -30.1 18.0 -4.9 59 59 A T H 3< S+ 0 0 66 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.456 88.6 123.3 -93.9 -4.2 -31.4 21.4 -3.7 60 60 A M << - 0 0 20 -3,-0.6 2,-0.4 -4,-0.5 3,-0.1 -0.255 45.7-160.0 -56.9 140.9 -27.9 23.0 -4.0 61 61 A R > - 0 0 133 1,-0.1 3,-1.8 0, 0.0 4,-0.3 -0.996 16.1-140.6-127.7 130.1 -27.6 26.0 -6.2 62 62 A L G > S+ 0 0 69 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.814 97.0 65.9 -59.2 -34.7 -24.2 27.1 -7.6 63 63 A H G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.705 89.8 66.9 -64.0 -19.3 -24.9 30.8 -7.1 64 64 A N G < S+ 0 0 63 -3,-1.8 -41,-1.5 -42,-0.1 -1,-0.3 0.621 86.4 90.9 -76.0 -13.4 -24.9 30.4 -3.3 65 65 A F E < -J 22 0B 16 -3,-1.9 2,-0.4 -4,-0.3 -43,-0.2 -0.573 50.1-177.7 -81.1 146.0 -21.2 29.5 -3.3 66 66 A S E -J 21 0B 33 -45,-2.2 -45,-2.9 -2,-0.2 2,-0.4 -0.975 4.8-176.9-136.3 132.5 -18.4 31.9 -2.8 67 67 A V E +JM 20 74B 0 7,-0.6 7,-3.2 -2,-0.4 2,-0.3 -0.994 8.9 172.3-128.9 132.9 -14.8 30.6 -3.0 68 68 A S E -JM 19 73B 6 -49,-2.2 -49,-2.8 -2,-0.4 2,-0.5 -0.994 26.4-153.7-144.9 148.7 -11.8 32.9 -2.4 69 69 A H E > S- M 0 72B 28 3,-2.4 3,-2.4 -2,-0.3 -51,-0.1 -0.990 89.8 -18.7-119.4 121.8 -8.0 32.8 -2.0 70 70 A N T 3 S- 0 0 115 -2,-0.5 -1,-0.1 49,-0.3 3,-0.1 0.858 131.2 -49.9 49.3 40.0 -6.6 35.6 0.0 71 71 A G T 3 S+ 0 0 57 1,-0.2 2,-0.6 -52,-0.0 -1,-0.3 0.377 112.2 121.1 84.1 -4.1 -9.7 37.6 -0.6 72 72 A V E < -M 69 0B 97 -3,-2.4 -3,-2.4 1,-0.0 -1,-0.2 -0.840 58.9-134.7 -97.1 119.6 -9.8 37.0 -4.4 73 73 A F E -M 68 0B 124 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.3 -0.454 13.1-150.2 -82.6 143.7 -13.0 35.3 -5.5 74 74 A L E -M 67 0B 15 -7,-3.2 -7,-0.6 -2,-0.2 2,-0.3 -0.845 21.5-110.4-111.4 144.7 -13.0 32.3 -7.9 75 75 A G - 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