==== 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 3M3V . COMPND 2 MOLECULE: 3C-LIKE PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SARS CORONAVIRUS; . AUTHOR J.H.SHI,J.X.SONG . 610 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 64.8 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 . 130 21.3 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 . 13 2.1 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 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 16.6 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 4 3 0 1 0 2 1 3 0 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 . 7 4 4 2 3 5 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 1 1 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 48 0, 0.0 2,-0.2 0, 0.0 478,-0.1 0.000 360.0 360.0 360.0-179.3 -21.8 -32.4 24.4 2 2 A G - 0 0 21 444,-0.3 2,-0.4 476,-0.3 444,-0.2 -0.677 360.0 -45.7-169.1-134.6 -18.2 -31.3 24.0 3 3 A F - 0 0 25 279,-0.6 2,-0.3 -2,-0.2 444,-0.2 -0.999 41.7-142.5-134.9 132.7 -15.5 -28.6 24.6 4 4 A R - 0 0 30 -2,-0.4 2,-1.3 442,-0.1 442,-0.1 -0.754 13.3-133.0 -99.7 141.7 -15.9 -24.8 24.1 5 5 A K - 0 0 55 -2,-0.3 122,-0.2 122,-0.1 2,-0.2 -0.751 38.9-160.5 -89.8 90.5 -13.2 -22.4 22.7 6 6 A M - 0 0 9 -2,-1.3 2,-0.3 289,-0.1 428,-0.2 -0.463 10.0-143.1 -79.8 147.3 -13.7 -19.8 25.4 7 7 A A B -A 433 0A 3 426,-2.6 426,-2.9 -2,-0.2 3,-0.1 -0.805 31.5 -98.6-105.7 146.5 -12.6 -16.1 25.1 8 8 A F - 0 0 11 -2,-0.3 2,-0.2 424,-0.2 310,-0.2 -0.196 53.1 -85.6 -58.2 154.6 -11.2 -14.2 28.0 9 9 A P - 0 0 14 0, 0.0 3,-0.3 0, 0.0 4,-0.3 -0.486 39.0-150.8 -62.5 127.8 -13.8 -11.9 29.8 10 10 A S >> + 0 0 0 -2,-0.2 4,-2.6 306,-0.2 3,-0.7 0.537 68.6 101.8 -83.0 -3.5 -13.6 -8.7 27.7 11 11 A G H 3> S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.911 79.2 47.6 -40.9 -68.7 -14.5 -6.4 30.6 12 12 A K H 34 S+ 0 0 85 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.748 117.3 42.6 -48.4 -34.5 -11.0 -5.1 31.4 13 13 A V H X4 S+ 0 0 0 -3,-0.7 3,-2.4 -4,-0.3 4,-0.3 0.817 102.6 65.7 -85.5 -31.5 -10.2 -4.3 27.8 14 14 A E H >< S+ 0 0 33 -4,-2.6 3,-2.1 -3,-0.5 -2,-0.2 0.922 94.3 63.2 -53.4 -42.6 -13.6 -2.8 26.9 15 15 A G T 3< S+ 0 0 22 -4,-1.6 -1,-0.3 1,-0.3 82,-0.3 0.371 102.3 49.9 -65.3 6.2 -12.7 -0.1 29.3 16 16 A C T < S+ 0 0 0 -3,-2.4 15,-2.7 16,-0.1 2,-0.4 0.299 82.2 115.1-125.2 4.1 -9.8 0.9 27.1 17 17 A M E < +I 30 0B 14 -3,-2.1 2,-0.3 -4,-0.3 13,-0.2 -0.643 36.3 161.7 -85.6 132.5 -11.5 1.2 23.8 18 18 A V E -I 29 0B 1 11,-1.8 11,-2.5 -2,-0.4 102,-0.4 -0.931 36.6-112.0-142.6 163.9 -11.7 4.5 22.0 19 19 A Q E -IJ 28 69B 33 50,-2.8 50,-2.0 -2,-0.3 2,-0.5 -0.832 24.5-164.3-102.4 134.7 -12.4 6.0 18.6 20 20 A V E -IJ 27 68B 0 7,-3.1 7,-3.0 -2,-0.4 2,-0.4 -0.986 8.7-178.8-123.4 124.3 -9.6 7.8 16.8 21 21 A T E -IJ 26 67B 18 46,-2.8 46,-2.8 -2,-0.5 2,-0.5 -0.987 12.7-179.5-127.4 133.3 -10.5 10.1 13.8 22 22 A C E > -IJ 25 66B 5 3,-2.7 3,-2.1 -2,-0.4 2,-0.5 -0.914 69.4 -57.5-133.4 100.2 -8.0 12.0 11.7 23 23 A G T 3 S- 0 0 70 42,-0.5 20,-0.0 -2,-0.5 22,-0.0 -0.477 124.9 -9.4 67.5-114.8 -10.0 13.9 9.1 24 24 A T T 3 S+ 0 0 113 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.514 118.9 92.8 -93.1 -6.9 -12.0 11.4 7.1 25 25 A T E < +I 22 0B 30 -3,-2.1 -3,-2.7 17,-0.2 2,-0.4 -0.755 50.2 178.5 -95.1 131.1 -10.3 8.4 8.7 26 26 A T E +I 21 0B 46 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.2 -0.983 12.8 142.1-136.3 126.7 -11.8 6.7 11.8 27 27 A L E -I 20 0B 6 -7,-3.0 -7,-3.1 -2,-0.4 2,-0.2 -0.726 46.0 -79.4-141.8-171.0 -10.5 3.6 13.6 28 28 A N E -I 19 0B 0 117,-1.7 2,-0.3 -9,-0.2 -9,-0.2 -0.574 35.2-162.0 -98.1 161.2 -10.1 2.3 17.2 29 29 A G E -I 18 0B 0 -11,-2.5 -11,-1.8 -2,-0.2 2,-0.5 -0.998 20.2-124.1-145.6 148.7 -7.5 3.0 19.8 30 30 A L E -IK 17 37B 0 7,-2.9 7,-2.6 -2,-0.3 2,-0.7 -0.813 22.6-157.4 -92.2 123.7 -6.2 1.5 23.0 31 31 A W E + K 0 36B 24 -15,-2.7 2,-0.5 -2,-0.5 5,-0.2 -0.879 21.7 164.2-106.7 102.3 -6.4 3.9 26.0 32 32 A L E > - K 0 35B 1 3,-2.3 3,-1.1 -2,-0.7 -16,-0.1 -0.967 65.2 -47.2-121.9 114.8 -3.9 2.9 28.6 33 33 A D T 3 S- 0 0 69 -2,-0.5 62,-1.4 62,-0.4 2,-0.2 -0.347 123.8 -17.6 56.7-138.9 -3.1 5.5 31.2 34 34 A D T 3 S+ 0 0 74 60,-0.2 57,-1.6 -3,-0.1 2,-0.3 -0.026 122.9 80.8 -89.9 36.1 -2.5 8.9 29.5 35 35 A T E < -KL 32 90B 6 -3,-1.1 -3,-2.3 55,-0.2 2,-0.5 -0.997 57.6-155.2-142.6 145.0 -1.8 7.4 26.0 36 36 A V E -KL 31 89B 0 53,-2.4 53,-2.7 -2,-0.3 2,-0.4 -0.980 13.1-159.6-120.1 122.7 -3.8 6.1 23.1 37 37 A Y E +KL 30 88B 15 -7,-2.6 -7,-2.9 -2,-0.5 51,-0.2 -0.816 23.4 150.2-100.8 142.0 -2.3 3.5 20.7 38 38 A C E - L 0 87B 0 49,-1.2 49,-2.5 -2,-0.4 -9,-0.1 -0.973 54.5 -69.1-163.0 158.9 -3.7 3.0 17.2 39 39 A P E > - L 0 86B 0 0, 0.0 3,-1.6 0, 0.0 47,-0.2 -0.261 44.3-129.3 -52.1 136.7 -2.5 2.0 13.7 40 40 A R G > S+ 0 0 37 45,-3.2 3,-1.6 1,-0.3 46,-0.1 0.759 100.1 76.6 -64.7 -19.7 -0.2 4.7 12.3 41 41 A H G > + 0 0 23 44,-0.3 3,-2.1 1,-0.3 -1,-0.3 0.448 61.7 96.6 -72.0 3.8 -2.2 4.8 9.1 42 42 A V G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 -20,-0.2 0.870 78.2 64.2 -57.7 -29.7 -4.9 6.7 10.8 43 43 A I G < S+ 0 0 13 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.3 0.154 94.4 84.0 -79.3 21.0 -3.1 9.6 9.3 44 44 A C < + 0 0 4 -3,-2.1 2,-0.2 -22,-0.0 -22,-0.1 -0.800 46.5 173.6-124.1 166.7 -3.9 8.4 5.7 45 45 A T > - 0 0 70 -2,-0.3 3,-0.8 1,-0.1 2,-0.2 -0.783 55.4 -24.0-172.7 125.1 -6.7 8.6 3.2 46 46 A A G > S+ 0 0 74 1,-0.2 3,-1.4 -2,-0.2 4,-0.3 -0.461 127.0 3.7 73.4-139.6 -7.1 7.5 -0.4 47 47 A E G 3 S+ 0 0 141 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.508 112.0 83.9 -59.6 -5.9 -4.0 7.0 -2.5 48 48 A D G < S+ 0 0 59 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.980 87.0 58.2 -57.8 -51.3 -1.7 7.8 0.5 49 49 A M S < S+ 0 0 28 -3,-1.4 2,-3.7 1,-0.2 140,-1.0 0.753 81.7 83.4 -45.3 -37.3 -2.1 4.2 1.3 50 50 A L S S- 0 0 90 -4,-0.3 -1,-0.2 -3,-0.3 138,-0.1 -0.313 131.7 -38.2 -71.9 61.2 -0.7 3.2 -2.0 51 51 A N S S- 0 0 104 -2,-3.7 -1,-0.3 136,-0.1 -2,-0.2 0.961 82.4-173.2 83.7 69.7 2.7 3.6 -0.4 52 52 A P - 0 0 15 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.113 26.2-132.7 -80.0-173.6 2.7 6.6 1.9 53 53 A N >> - 0 0 102 1,-0.1 3,-1.5 2,-0.0 4,-1.1 -0.515 22.2-172.8-139.7 62.5 5.7 8.1 3.7 54 54 A Y H 3> S+ 0 0 5 1,-0.3 4,-3.8 2,-0.2 5,-0.4 0.690 75.5 68.3 -27.0 -46.9 4.3 8.5 7.2 55 55 A E H 3> S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.933 108.4 36.7 -44.0 -58.7 7.4 10.4 8.5 56 56 A D H <> S+ 0 0 76 -3,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.948 117.4 50.5 -61.1 -53.8 6.5 13.4 6.3 57 57 A L H < S+ 0 0 28 -4,-1.1 3,-0.4 1,-0.2 -1,-0.2 0.876 113.8 46.6 -53.9 -40.4 2.7 13.1 6.8 58 58 A L H >< S+ 0 0 21 -4,-3.8 3,-2.8 1,-0.2 -1,-0.2 0.955 105.3 58.6 -67.0 -48.9 3.1 12.9 10.5 59 59 A I H 3< S+ 0 0 137 -4,-2.6 -1,-0.2 -5,-0.4 -2,-0.2 0.713 106.1 51.4 -53.6 -21.3 5.5 15.8 10.6 60 60 A R T 3< S+ 0 0 174 -4,-1.2 2,-0.3 -3,-0.4 -1,-0.3 0.061 96.6 90.5-104.3 22.4 2.7 17.8 9.0 61 61 A K < - 0 0 60 -3,-2.8 2,-0.2 -5,-0.1 19,-0.1 -0.853 57.3-160.9-116.2 154.2 0.2 16.8 11.6 62 62 A S > - 0 0 40 -2,-0.3 3,-0.9 1,-0.1 4,-0.5 -0.761 35.3 -99.7-127.3 173.6 -0.7 18.5 14.9 63 63 A N G > S+ 0 0 53 1,-0.3 3,-2.7 -2,-0.2 14,-0.2 0.980 122.7 52.1 -59.9 -54.3 -2.3 17.5 18.1 64 64 A H G 3 S+ 0 0 168 1,-0.3 -1,-0.3 12,-0.1 14,-0.1 0.647 93.3 78.9 -57.8 -10.1 -5.7 19.1 17.2 65 65 A S G < S+ 0 0 35 -3,-0.9 2,-0.6 1,-0.1 -42,-0.5 0.823 86.5 67.1 -66.3 -28.9 -5.4 17.1 14.1 66 66 A F E < -J 22 0B 6 -3,-2.7 11,-0.4 -4,-0.5 2,-0.4 -0.825 65.9-165.8 -99.8 117.8 -6.5 14.0 16.0 67 67 A L E -J 21 0B 57 -46,-2.8 -46,-2.8 -2,-0.6 2,-0.4 -0.826 14.0-179.4 -96.5 140.5 -10.0 13.8 17.4 68 68 A V E -J 20 0B 0 -2,-0.4 7,-2.7 7,-0.3 2,-0.4 -0.988 3.4-175.5-143.0 131.6 -10.4 11.0 19.9 69 69 A Q E -JM 19 74B 52 -50,-2.0 -50,-2.8 -2,-0.4 2,-0.5 -0.974 19.8-164.9-133.7 145.4 -13.6 10.1 21.8 70 70 A A S S- 0 0 26 3,-2.3 2,-0.3 -2,-0.4 3,-0.2 -0.962 82.3 -36.8-123.8 103.9 -14.5 7.6 24.5 71 71 A G S S- 0 0 75 -2,-0.5 2,-0.3 49,-0.2 -52,-0.1 -0.591 124.3 -31.4 74.7-138.8 -18.2 7.4 24.5 72 72 A N S S+ 0 0 149 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.2 -0.409 119.4 98.9-109.8 56.2 -19.6 10.8 23.7 73 73 A V - 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0 0 31 -2,-0.3 2,-0.3 -3,-0.1 -83,-0.1 -0.471 41.1-143.5 -68.3 127.9 -21.3 -28.0 8.8 596 288 B E + 0 0 51 -2,-0.2 -81,-0.3 -84,-0.2 -80,-0.1 -0.663 24.5 174.3 -93.3 145.2 -21.9 -25.4 11.5 597 289 B D + 0 0 14 -2,-0.3 -86,-0.2 -86,-0.1 -85,-0.2 0.150 58.4 92.7-135.2 18.9 -25.4 -24.7 13.0 598 290 B E S S+ 0 0 16 -87,-0.1 2,-0.4 -86,-0.1 -1,-0.1 -0.050 70.3 86.8-103.2 31.3 -24.6 -22.3 15.8 599 291 B F - 0 0 9 -3,-0.1 -84,-0.3 -180,-0.0 -85,-0.2 -0.974 68.1-149.7-131.0 115.9 -25.2 -19.4 13.5 600 292 B T > - 0 0 18 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.461 34.0-106.3 -80.1 155.7 -28.7 -18.0 13.1 601 293 B P H > S+ 0 0 13 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.835 126.8 49.8 -50.3 -28.6 -29.7 -16.4 9.8 602 294 B F H > S+ 0 0 141 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.916 98.6 61.9 -76.4 -45.3 -29.4 -13.2 11.9 603 295 B D H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 107.4 49.5 -50.0 -32.2 -26.0 -13.9 13.3 604 296 B V H < S+ 0 0 0 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.932 108.5 48.8 -74.4 -46.8 -24.9 -13.8 9.7 605 297 B V H >X S+ 0 0 52 -4,-1.4 3,-2.5 -5,-0.2 4,-0.6 0.987 112.7 49.8 -54.6 -59.7 -26.5 -10.5 8.8 606 298 B R H >X S+ 0 0 38 -4,-2.5 3,-1.3 1,-0.3 4,-0.7 0.909 114.7 42.9 -41.5 -61.2 -25.0 -8.9 11.9 607 299 B Q H 3< S+ 0 0 18 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.327 114.5 51.9 -74.7 9.3 -21.5 -10.2 11.1 608 300 B C H <4 S+ 0 0 29 -3,-2.5 -1,-0.2 -4,-0.4 -2,-0.2 0.312 122.6 15.4-125.9 9.0 -21.7 -9.3 7.4 609 301 B S H << S- 0 0 74 -3,-1.3 -467,-0.2 -4,-0.6 -3,-0.1 0.485 116.5 -9.4-142.3 -64.2 -22.8 -5.7 7.5 610 302 B G < 0 0 31 -4,-0.7 -469,-0.1 -5,-0.3 -468,-0.0 0.325 360.0 360.0-115.0-120.7 -22.6 -3.6 10.7 611 303 B V 0 0 89 -3,-0.0 -5,-0.0 -488,-0.0 -2,-0.0 0.813 360.0 360.0-107.3 360.0 -21.8 -4.0 14.4