==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAR-10 3M3T . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR J.H.SHI,J.X.SONG . 307 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 63.2 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 . 66 21.5 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 . 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 . 1 0.3 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 . 32 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 1 2 0 0 1 0 0 2 0 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 . 1 1 3 2 1 3 1 0 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 G 0 0 70 0, 0.0 2,-0.3 0, 0.0 282,-0.0 0.000 360.0 360.0 360.0 158.4 18.8 -9.7 -2.3 2 0 A S - 0 0 42 215,-0.0 283,-0.1 3,-0.0 3,-0.1 -0.919 360.0-108.5-147.0 171.4 16.7 -7.4 -0.1 3 1 A S S S- 0 0 128 1,-0.3 2,-0.1 -2,-0.3 282,-0.1 0.111 79.2 -76.1 -90.9 21.0 16.7 -5.5 3.3 4 2 A G - 0 0 34 282,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.305 55.2 -69.4 108.5 166.3 14.1 -7.8 4.8 5 3 A F - 0 0 30 279,-0.3 2,-0.4 -2,-0.1 293,-0.0 -0.781 37.1-158.0-102.0 141.7 10.3 -8.4 4.7 6 4 A R - 0 0 174 -2,-0.4 2,-0.3 291,-0.1 295,-0.1 -0.946 15.9-128.5-118.3 137.0 7.7 -6.0 6.0 7 5 A K - 0 0 29 -2,-0.4 291,-0.1 1,-0.1 290,-0.0 -0.665 37.6 -92.5 -88.1 139.5 4.2 -6.9 7.0 8 6 A M - 0 0 84 -2,-0.3 2,-0.7 289,-0.2 121,-0.4 0.027 36.2-120.8 -43.8 150.1 1.2 -4.9 5.6 9 7 A A - 0 0 89 119,-0.1 119,-0.2 -3,-0.1 -1,-0.1 -0.888 34.0-166.9-102.9 109.5 -0.0 -2.0 7.6 10 8 A F - 0 0 62 117,-1.4 117,-0.3 -2,-0.7 116,-0.0 -0.495 27.3 -83.8 -93.7 164.1 -3.7 -2.5 8.5 11 9 A P - 0 0 88 0, 0.0 -1,-0.2 0, 0.0 143,-0.0 -0.127 28.1-171.3 -62.7 160.0 -6.3 -0.0 10.0 12 10 A S > - 0 0 23 115,-0.0 3,-0.7 103,-0.0 105,-0.0 0.557 17.0-153.1-125.0 -25.0 -6.6 0.7 13.7 13 11 A G T 3 S- 0 0 29 1,-0.2 146,-0.1 2,-0.1 0, 0.0 0.897 74.4 -45.8 46.9 55.7 -9.8 2.8 13.9 14 12 A K T 3 S+ 0 0 130 1,-0.1 -1,-0.2 86,-0.0 4,-0.1 0.759 104.7 125.5 62.7 26.8 -8.9 4.7 17.0 15 13 A V X + 0 0 0 -3,-0.7 3,-1.4 1,-0.2 -2,-0.1 0.759 65.7 66.0 -82.1 -26.4 -7.8 1.6 18.8 16 14 A E G > S+ 0 0 87 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.758 92.7 61.6 -64.5 -25.3 -4.5 3.3 19.5 17 15 A G G 3 S+ 0 0 15 1,-0.2 -1,-0.3 82,-0.2 82,-0.2 0.640 96.1 60.1 -77.1 -13.1 -6.4 5.8 21.7 18 16 A C G < S+ 0 0 0 -3,-1.4 15,-3.2 -4,-0.1 2,-0.4 0.281 83.0 105.8 -96.1 8.7 -7.4 2.9 24.0 19 17 A M E < +A 32 0A 21 -3,-1.0 2,-0.3 13,-0.2 13,-0.2 -0.766 39.3 154.7 -95.6 134.9 -3.9 2.0 24.9 20 18 A V E -A 31 0A 5 11,-1.7 11,-2.1 -2,-0.4 2,-0.5 -0.855 38.4-110.9-142.8 175.7 -2.4 2.9 28.3 21 19 A Q E -AB 30 71A 52 50,-2.2 50,-2.2 -2,-0.3 2,-0.5 -0.967 20.7-157.0-120.6 131.6 0.4 1.6 30.5 22 20 A V E -AB 29 70A 0 7,-3.1 7,-2.2 -2,-0.5 2,-0.5 -0.910 10.2-173.7-108.1 128.5 -0.2 -0.1 33.8 23 21 A T E +AB 28 69A 20 46,-1.8 46,-1.8 -2,-0.5 2,-0.5 -0.911 11.5 168.3-130.0 109.6 2.5 -0.2 36.4 24 22 A C E > S-AB 27 68A 4 3,-1.1 3,-1.9 -2,-0.5 2,-0.3 -0.975 71.6 -36.3-115.4 123.9 2.3 -2.1 39.7 25 23 A G T 3 S- 0 0 61 42,-0.6 20,-0.1 -2,-0.5 44,-0.0 -0.461 125.7 -24.6 65.4-125.5 5.6 -2.3 41.5 26 24 A T T 3 S+ 0 0 124 -2,-0.3 2,-0.4 18,-0.0 -1,-0.2 0.298 115.9 98.0-103.8 7.5 8.5 -2.6 39.0 27 25 A T E < -A 24 0A 36 -3,-1.9 -3,-1.1 17,-0.3 2,-0.4 -0.814 47.0-177.9-100.0 136.3 6.4 -4.1 36.2 28 26 A T E +A 23 0A 74 -2,-0.4 2,-0.2 -5,-0.2 -5,-0.2 -0.933 14.3 154.3-136.0 112.5 5.0 -2.0 33.4 29 27 A L E -A 22 0A 7 -7,-2.2 -7,-3.1 -2,-0.4 119,-0.2 -0.785 42.2 -86.2-130.7 174.6 2.8 -3.4 30.7 30 28 A N E -A 21 0A 6 117,-2.2 2,-0.3 -2,-0.2 -9,-0.2 -0.447 39.8-172.2 -81.4 155.0 0.1 -2.3 28.2 31 29 A G E -A 20 0A 0 -11,-2.1 -11,-1.7 9,-0.1 2,-0.5 -0.966 24.7-114.4-144.6 159.6 -3.6 -2.2 28.9 32 30 A L E -AC 19 39A 0 7,-2.6 7,-2.9 -2,-0.3 2,-0.6 -0.839 25.0-157.2 -99.4 128.3 -6.9 -1.7 27.2 33 31 A W E + C 0 38A 11 -15,-3.2 2,-0.4 -2,-0.5 5,-0.2 -0.904 19.3 165.3-111.2 111.3 -8.9 1.5 28.1 34 32 A L E > - C 0 37A 0 3,-2.6 3,-2.7 -2,-0.6 2,-0.2 -0.989 62.8 -46.8-128.0 124.9 -12.6 1.4 27.5 35 33 A D T 3 S- 0 0 71 -2,-0.4 62,-2.6 62,-0.4 64,-0.1 -0.366 123.7 -23.3 55.2-116.7 -15.0 3.9 29.0 36 34 A D T 3 S+ 0 0 54 60,-0.3 57,-2.1 -2,-0.2 2,-0.4 0.039 122.3 88.2-112.5 26.0 -14.0 4.1 32.7 37 35 A T E < -CD 34 92A 12 -3,-2.7 -3,-2.6 55,-0.2 2,-0.4 -0.952 56.0-156.7-127.7 146.6 -12.4 0.7 32.8 38 36 A V E -CD 33 91A 0 53,-3.1 53,-2.3 -2,-0.4 2,-0.4 -0.963 7.4-160.0-121.7 137.5 -8.9 -0.6 32.1 39 37 A Y E +CD 32 90A 22 -7,-2.9 -7,-2.6 -2,-0.4 51,-0.2 -0.927 22.0 146.1-118.7 140.0 -7.8 -4.1 31.2 40 38 A C E - D 0 89A 0 49,-1.0 49,-2.3 -2,-0.4 -9,-0.1 -0.978 54.7 -73.9-166.6 155.5 -4.4 -5.7 31.5 41 39 A P E > - D 0 88A 0 0, 0.0 3,-1.4 0, 0.0 47,-0.2 -0.335 40.3-137.2 -55.8 126.4 -2.6 -9.1 32.3 42 40 A R G > S+ 0 0 32 45,-2.7 3,-1.5 1,-0.3 46,-0.1 0.607 94.1 81.1 -64.2 -12.8 -2.9 -9.7 36.0 43 41 A H G > + 0 0 22 44,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.446 65.7 91.4 -74.5 5.7 0.7 -10.9 36.2 44 42 A V G < S+ 0 0 0 -3,-1.4 -20,-0.4 1,-0.3 -17,-0.3 0.604 80.6 59.6 -72.1 -10.2 1.5 -7.1 36.3 45 43 A I G < S+ 0 0 6 -3,-1.5 2,-0.5 -19,-0.1 -1,-0.3 0.284 91.3 88.0 -99.2 7.2 1.2 -7.6 40.1 46 44 A C < - 0 0 5 -3,-1.6 2,-0.2 -22,-0.1 -22,-0.1 -0.929 67.1-147.1-112.9 128.7 4.0 -10.2 40.1 47 45 A T > - 0 0 49 -2,-0.5 3,-0.8 1,-0.1 -2,-0.1 -0.561 46.6 -89.0 -84.9 155.8 7.7 -9.3 40.4 48 46 A A T 3 S+ 0 0 82 1,-0.2 3,-0.4 -2,-0.2 4,-0.1 0.746 129.2 54.4 -34.6 -35.4 10.1 -11.6 38.5 49 47 A E T > S+ 0 0 156 1,-0.2 2,-2.8 2,-0.1 3,-1.3 0.951 94.5 63.9 -67.9 -53.7 10.2 -13.8 41.6 50 48 A D T < S+ 0 0 60 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 -0.134 84.5 84.1 -68.6 45.5 6.5 -14.4 42.1 51 49 A M T 3 + 0 0 36 -2,-2.8 140,-3.2 -3,-0.4 -1,-0.2 0.614 69.3 68.8-119.7 -24.2 6.3 -16.3 38.7 52 50 A L S < S- 0 0 116 -3,-1.3 -2,-0.1 1,-0.2 -3,-0.1 0.847 130.1 -7.1 -65.4 -32.7 7.4 -19.8 39.6 53 51 A N S S- 0 0 135 -4,-0.3 2,-0.4 139,-0.0 -1,-0.2 -0.422 79.7-179.0-164.9 78.3 4.1 -20.3 41.5 54 52 A P - 0 0 13 0, 0.0 2,-0.8 0, 0.0 3,-0.1 -0.692 16.7-161.2 -90.5 135.3 1.9 -17.2 42.0 55 53 A N >> - 0 0 82 -2,-0.4 4,-1.9 1,-0.1 3,-1.5 -0.871 8.4-170.8-111.6 91.7 -1.3 -17.2 44.0 56 54 A Y H 3> S+ 0 0 4 -2,-0.8 4,-1.2 1,-0.3 5,-0.2 0.721 76.0 73.7 -57.0 -25.1 -3.0 -14.0 42.6 57 55 A E H 3> S+ 0 0 100 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.848 111.7 26.6 -58.9 -36.2 -5.7 -14.3 45.3 58 56 A D H <4 S+ 0 0 82 -3,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.749 114.2 62.5 -98.1 -31.5 -3.3 -13.2 48.0 59 57 A L H < S+ 0 0 17 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.685 108.8 48.2 -67.3 -15.0 -0.9 -11.2 45.8 60 58 A L H >< S+ 0 0 22 -4,-1.2 3,-2.4 -5,-0.2 -1,-0.2 0.865 99.1 59.7 -91.7 -43.9 -3.9 -9.0 45.1 61 59 A I T 3< S+ 0 0 134 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.461 99.8 64.5 -65.4 2.0 -5.3 -8.4 48.6 62 60 A R T 3 S+ 0 0 179 -4,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.179 95.5 71.3-107.9 12.9 -1.8 -6.9 49.2 63 61 A K < - 0 0 60 -3,-2.4 2,-0.1 -39,-0.0 -18,-0.0 -0.951 60.9-168.6-128.7 147.4 -2.5 -4.1 46.7 64 62 A S - 0 0 61 -2,-0.3 4,-0.2 17,-0.0 17,-0.1 -0.300 48.5 -83.2-114.8-158.8 -4.8 -1.1 47.0 65 63 A N S S+ 0 0 59 1,-0.2 3,-0.5 2,-0.2 14,-0.4 0.692 129.6 55.7 -84.4 -18.1 -5.9 1.4 44.3 66 64 A H S S+ 0 0 174 1,-0.2 -1,-0.2 12,-0.1 13,-0.0 0.818 88.2 76.4 -80.0 -31.8 -2.8 3.3 44.8 67 65 A S S S+ 0 0 39 -43,-0.1 -42,-0.6 1,-0.0 2,-0.5 0.739 90.3 71.1 -49.0 -25.8 -0.6 0.3 44.1 68 66 A F E -B 24 0A 8 -3,-0.5 2,-0.7 -4,-0.2 11,-0.4 -0.847 63.4-164.5-105.3 129.4 -1.5 0.8 40.4 69 67 A L E -B 23 0A 62 -46,-1.8 -46,-1.8 -2,-0.5 2,-0.5 -0.915 10.3-169.7-111.2 107.2 -0.2 3.6 38.2 70 68 A V E -BE 22 77A 0 7,-0.7 7,-1.6 -2,-0.7 2,-0.4 -0.845 5.8-168.5 -98.4 129.2 -2.2 4.0 35.0 71 69 A Q E -BE 21 76A 70 -50,-2.2 -50,-2.2 -2,-0.5 2,-0.3 -0.962 21.4-175.0-123.9 137.4 -0.8 6.3 32.3 72 70 A A E > S- E 0 75A 25 3,-4.5 3,-0.9 -2,-0.4 2,-0.4 -0.668 74.3 -64.7-123.7 70.6 -2.4 7.6 29.2 73 71 A G T 3 S- 0 0 63 -2,-0.3 -1,-0.1 1,-0.2 -52,-0.1 -0.718 117.4 -16.1 82.7-130.5 0.6 9.4 27.7 74 72 A N T 3 S+ 0 0 159 -2,-0.4 2,-0.4 -3,-0.1 -1,-0.2 0.365 125.9 92.7 -87.8 7.2 1.6 12.3 30.0 75 73 A V E < -E 72 0A 78 -3,-0.9 -3,-4.5 2,-0.0 2,-0.5 -0.853 67.2-146.4-105.0 136.1 -1.8 11.9 31.6 76 74 A Q E -E 71 0A 108 -2,-0.4 2,-0.7 -5,-0.2 -5,-0.2 -0.872 2.8-149.5-105.4 125.1 -2.5 9.7 34.7 77 75 A L E -E 70 0A 6 -7,-1.6 -7,-0.7 -2,-0.5 2,-0.3 -0.820 22.1-132.4 -92.8 117.0 -5.8 7.8 35.2 78 76 A R - 0 0 161 -2,-0.7 16,-1.7 -9,-0.1 2,-0.6 -0.528 15.6-129.0 -72.3 125.7 -6.5 7.5 38.9 79 77 A V E +F 93 0A 11 -11,-0.4 14,-0.2 -14,-0.4 3,-0.1 -0.662 33.6 168.3 -79.3 116.5 -7.5 3.9 39.9 80 78 A I E + 0 0 87 12,-3.5 2,-0.2 -2,-0.6 13,-0.2 0.220 67.6 16.7-109.8 10.7 -10.7 4.0 41.9 81 79 A G E -F 92 0A 18 11,-0.8 11,-3.3 -16,-0.1 2,-0.3 -0.847 56.8-169.1-179.7 142.3 -11.3 0.3 41.8 82 80 A H E +F 91 0A 60 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.988 14.9 156.1-144.7 131.5 -9.6 -3.0 41.1 83 81 A S E -F 90 0A 50 7,-2.5 7,-2.5 -2,-0.3 2,-0.4 -0.864 34.0-117.0-141.5 173.5 -11.0 -6.6 40.7 84 82 A M E -F 89 0A 58 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.970 15.5-169.5-124.7 132.4 -9.8 -9.7 38.9 85 83 A Q E > -F 88 0A 72 3,-2.2 3,-2.3 -2,-0.4 2,-0.7 -0.797 63.2 -70.5-121.1 89.9 -11.3 -11.5 36.0 86 84 A N T 3 S- 0 0 73 -2,-0.6 95,-0.2 1,-0.3 96,-0.1 -0.535 119.1 -12.0 65.8-108.8 -9.6 -14.9 35.5 87 85 A C T 3 S+ 0 0 15 94,-1.3 -45,-2.7 -2,-0.7 -44,-0.3 0.412 123.8 84.9-103.1 0.2 -6.2 -13.8 34.1 88 86 A L E < S-DF 41 85A 0 -3,-2.3 -3,-2.2 92,-0.3 2,-0.5 -0.652 70.7-136.1 -99.2 159.6 -7.1 -10.2 33.5 89 87 A L E -DF 40 84A 1 -49,-2.3 -49,-1.0 -2,-0.2 2,-0.5 -0.971 15.7-149.6-115.6 121.7 -7.0 -7.4 36.0 90 88 A R E -DF 39 83A 63 -7,-2.5 -7,-2.5 -2,-0.5 2,-0.4 -0.820 16.3-173.6 -93.5 129.8 -10.0 -5.1 35.9 91 89 A L E -DF 38 82A 0 -53,-2.3 -53,-3.1 -2,-0.5 2,-0.6 -0.988 16.0-148.1-128.3 129.0 -9.3 -1.5 36.9 92 90 A K E -DF 37 81A 65 -11,-3.3 -12,-3.5 -2,-0.4 -11,-0.8 -0.842 19.8-160.3 -94.9 118.5 -11.8 1.3 37.4 93 91 A V E - 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