==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUL-11 3ZVD . COMPND 2 MOLECULE: 3C PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ENTEROVIRUS; . AUTHOR J.TAN,M.PERBANDT,J.R.MESTERS,R.HILGENFELD . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 41.5 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 21 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 3 2 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 0 0 0 0 0 0 0 1 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 0 104 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.4 -13.5 38.2 26.4 2 2 A P - 0 0 42 0, 0.0 2,-1.9 0, 0.0 3,-0.3 -0.418 360.0-111.5 -68.4 147.6 -13.7 34.8 24.5 3 3 A G > + 0 0 9 96,-0.6 4,-2.4 1,-0.2 5,-0.1 -0.496 55.2 153.8 -85.2 69.4 -17.0 34.0 22.8 4 4 A F H > S+ 0 0 83 -2,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.827 70.2 53.6 -59.9 -41.3 -18.1 31.1 25.0 5 5 A D H > S+ 0 0 137 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.925 111.0 46.2 -64.6 -44.5 -21.8 31.7 24.4 6 6 A F H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.948 112.9 50.0 -60.8 -49.1 -21.4 31.6 20.6 7 7 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.865 111.1 49.8 -55.0 -40.4 -19.2 28.5 20.9 8 8 A Q H X S+ 0 0 75 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.899 107.2 52.9 -70.2 -41.7 -21.8 26.8 23.0 9 9 A A H X S+ 0 0 46 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.883 111.7 47.7 -59.7 -38.5 -24.6 27.6 20.6 10 10 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.913 113.3 47.3 -67.4 -40.9 -22.6 26.0 17.8 11 11 A M H X S+ 0 0 8 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.914 112.6 49.6 -67.3 -38.4 -21.8 22.9 19.9 12 12 A K H < S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 125.3 23.7 -69.7 -45.3 -25.3 22.4 21.0 13 13 A K H < S+ 0 0 146 -4,-1.9 71,-0.5 -5,-0.2 -1,-0.2 0.652 129.2 36.8 -95.1 -17.1 -27.0 22.6 17.6 14 14 A N H < S+ 0 0 0 -4,-2.3 15,-3.5 -5,-0.2 2,-0.4 0.194 92.2 82.1-133.4 16.2 -24.2 21.7 15.2 15 15 A T E < +A 28 0A 11 -4,-0.9 2,-0.3 13,-0.2 13,-0.2 -0.953 39.8 173.8-123.2 151.9 -21.9 19.0 16.5 16 16 A V E -A 27 0A 7 11,-1.9 11,-2.2 -2,-0.4 2,-0.5 -0.915 38.0-106.7-138.6 162.6 -22.1 15.2 16.7 17 17 A V E -A 26 0A 10 -2,-0.3 33,-2.9 9,-0.2 2,-0.4 -0.836 38.8-166.2 -90.4 127.5 -19.6 12.6 17.8 18 18 A A E -AB 25 49A 0 7,-2.9 7,-2.7 -2,-0.5 2,-0.4 -0.938 5.6-165.8-118.5 141.9 -18.3 10.8 14.8 19 19 A R E +AB 24 48A 78 29,-2.4 29,-2.2 -2,-0.4 5,-0.2 -0.986 13.0 164.9-132.7 125.5 -16.3 7.5 14.9 20 20 A T E > -A 23 0A 18 3,-2.2 3,-1.6 -2,-0.4 23,-0.1 -0.582 61.4 -78.6-118.1-176.7 -14.3 6.0 12.1 21 21 A E T 3 S+ 0 0 159 21,-0.4 21,-0.1 1,-0.2 3,-0.1 0.662 130.9 59.0 -53.9 -19.9 -11.7 3.2 12.1 22 22 A K T 3 S- 0 0 127 19,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.586 116.9-103.7 -93.1 -9.4 -9.3 5.9 13.4 23 23 A G E < -A 20 0A 28 -3,-1.6 -3,-2.2 18,-0.2 -1,-0.3 -0.827 58.1 -21.9 123.2-162.0 -11.3 6.7 16.5 24 24 A E E +A 19 0A 53 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.647 51.8 178.9 -93.9 146.5 -13.6 9.4 17.6 25 25 A F E -A 18 0A 24 -7,-2.7 -7,-2.9 -2,-0.3 2,-0.2 -0.983 34.9-112.8-141.3 142.3 -13.7 13.0 16.3 26 26 A T E -A 17 0A 1 121,-1.8 2,-0.5 -2,-0.3 -9,-0.2 -0.571 39.4-151.8 -65.0 138.8 -15.8 16.0 17.0 27 27 A M E -A 16 0A 0 -11,-2.2 -11,-1.9 78,-0.3 2,-0.6 -0.962 7.0-150.6-130.3 119.8 -17.9 16.6 13.9 28 28 A L E -AC 15 36A 0 8,-0.7 8,-2.1 -2,-0.5 2,-0.4 -0.771 9.3-150.3 -87.7 122.7 -19.2 19.9 12.8 29 29 A G E - C 0 35A 0 -15,-3.5 6,-0.3 -2,-0.6 3,-0.1 -0.799 15.2-178.7 -91.6 133.2 -22.5 19.9 10.8 30 30 A V E - 0 0 0 4,-2.7 56,-2.8 -2,-0.4 57,-0.5 0.856 55.5 -28.2-106.6 -44.6 -22.7 22.8 8.4 31 31 A H E > S- C 0 34A 17 3,-1.3 3,-3.0 54,-0.2 -1,-0.4 -0.944 107.2 -13.6-167.1 154.8 -26.1 22.6 6.6 32 32 A D B 3 S-N 83 0B 56 51,-0.9 51,-3.4 -2,-0.3 44,-0.0 -0.220 127.8 -31.2 52.1-118.4 -28.7 20.0 5.5 33 33 A R T 3 S+ 0 0 80 49,-0.2 44,-2.5 2,-0.1 2,-0.4 -0.071 110.1 116.7-121.4 32.4 -26.8 16.6 6.0 34 34 A V E < +CD 31 76A 24 -3,-3.0 -4,-2.7 42,-0.2 -3,-1.3 -0.875 34.1 157.5-106.6 132.7 -23.4 18.0 5.2 35 35 A A E -CD 29 75A 0 40,-2.4 40,-2.8 -2,-0.4 2,-0.3 -0.825 28.5-123.8-143.5 174.9 -20.7 17.9 7.8 36 36 A V E +CD 28 74A 1 -8,-2.1 -8,-0.7 -2,-0.3 38,-0.2 -0.913 21.8 170.7-129.1 159.6 -16.9 18.0 8.1 37 37 A I E - D 0 73A 0 36,-1.8 36,-2.2 -2,-0.3 -10,-0.1 -0.973 46.4 -85.1-160.2 147.0 -14.2 15.8 9.6 38 38 A P E > - D 0 72A 2 0, 0.0 3,-2.1 0, 0.0 34,-0.2 -0.353 37.1-126.6 -59.6 141.0 -10.4 15.9 9.3 39 39 A T G > S+ 0 0 27 32,-1.7 3,-1.9 1,-0.3 4,-0.2 0.780 106.6 66.1 -55.3 -33.8 -9.2 13.9 6.3 40 40 A H G 3 S+ 0 0 95 31,-0.3 -1,-0.3 1,-0.3 32,-0.1 0.590 79.3 80.6 -74.5 -1.1 -6.9 11.8 8.4 41 41 A A G < S- 0 0 0 -3,-2.1 -19,-0.7 -20,-0.0 -1,-0.3 0.653 95.3-139.3 -68.2 -13.8 -10.0 10.3 10.1 42 42 A S < - 0 0 48 -3,-1.9 -21,-0.4 -4,-0.2 2,-0.2 0.962 18.0-155.6 52.2 61.4 -10.2 8.0 6.9 43 43 A V - 0 0 29 -4,-0.2 -1,-0.1 -23,-0.1 4,-0.1 -0.484 14.2-175.6 -64.8 134.1 -14.0 8.1 6.4 44 44 A G - 0 0 47 2,-0.7 -1,-0.1 -2,-0.2 3,-0.0 0.049 50.6 -64.4-104.3-137.2 -15.2 5.0 4.5 45 45 A E S S+ 0 0 164 1,-0.1 11,-2.8 10,-0.1 2,-0.3 0.607 120.2 36.4 -98.5 -9.3 -18.7 4.3 3.2 46 46 A T E + E 0 55A 59 9,-0.3 -2,-0.7 31,-0.0 2,-0.3 -0.976 65.4 179.0-133.6 155.1 -20.2 4.1 6.7 47 47 A I E - E 0 54A 2 7,-2.9 7,-2.1 -2,-0.3 2,-0.5 -0.985 30.3-113.4-146.2 151.0 -19.5 6.1 9.9 48 48 A Y E -BE 19 53A 83 -29,-2.2 -29,-2.4 -2,-0.3 2,-0.5 -0.806 26.8-171.5 -88.4 131.6 -20.9 6.1 13.5 49 49 A I E > S-BE 18 52A 2 3,-2.4 3,-2.2 -2,-0.5 -31,-0.2 -0.987 79.5 -18.3-121.2 118.4 -22.7 9.3 14.4 50 50 A N T 3 S- 0 0 71 -33,-2.9 -1,-0.1 -2,-0.5 -32,-0.1 0.915 129.8 -55.4 44.6 46.5 -23.6 9.5 18.1 51 51 A D T 3 S+ 0 0 97 -34,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.516 114.6 119.4 63.8 10.5 -23.0 5.7 18.1 52 52 A V E < -E 49 0A 98 -3,-2.2 -3,-2.4 -5,-0.0 -1,-0.2 -0.930 68.7-122.6-104.4 118.8 -25.5 5.1 15.2 53 53 A E E -E 48 0A 114 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.345 38.7-173.5 -59.8 134.9 -24.0 3.5 12.1 54 54 A T E -E 47 0A 11 -7,-2.1 -7,-2.9 -2,-0.1 2,-0.3 -0.994 26.1-113.7-145.2 132.2 -24.7 5.8 9.2 55 55 A K E -E 46 0A 121 23,-0.4 23,-2.4 -2,-0.4 2,-0.9 -0.534 20.9-142.0 -66.0 133.2 -24.2 5.7 5.4 56 56 A V E -F 77 0A 16 -11,-2.8 21,-0.2 -2,-0.3 3,-0.1 -0.877 19.0-176.4 -95.8 103.0 -21.7 8.1 4.1 57 57 A L E + 0 0 94 19,-1.5 2,-0.3 -2,-0.9 20,-0.2 0.816 70.0 6.4 -71.1 -35.7 -23.4 9.1 0.8 58 58 A D E -F 76 0A 44 18,-1.4 18,-2.5 -3,-0.1 2,-0.3 -0.993 57.9-173.8-146.9 148.0 -20.5 11.4 -0.2 59 59 A A E -F 75 0A 34 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.925 5.6-172.3-139.5 117.7 -17.0 12.2 1.0 60 60 A C E -F 74 0A 40 14,-3.3 14,-2.7 -2,-0.3 2,-0.9 -0.934 11.9-155.0-114.9 112.1 -14.8 14.9 -0.6 61 61 A A E -F 73 0A 57 -2,-0.6 12,-0.2 12,-0.3 2,-0.1 -0.736 27.4-132.1 -79.8 103.6 -11.2 15.2 0.6 62 62 A L E + 0 0 32 10,-3.0 8,-2.1 -2,-0.9 9,-0.6 -0.330 32.2 170.6 -70.8 137.8 -10.4 18.9 -0.1 63 63 A R E -F 69 0A 127 6,-0.2 6,-0.2 7,-0.2 2,-0.1 -0.976 26.9-124.0-138.9 149.0 -7.1 19.7 -1.8 64 64 A D > - 0 0 21 4,-2.4 3,-2.1 -2,-0.3 4,-0.3 -0.331 41.4 -87.1 -89.6-179.6 -6.0 23.1 -3.2 65 65 A L T 3 S+ 0 0 185 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.609 126.5 62.9 -64.7 -12.2 -4.9 23.8 -6.8 66 66 A T T 3 S- 0 0 91 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.220 119.5-112.5 -88.9 10.1 -1.2 22.8 -6.0 67 67 A D S < S+ 0 0 110 -3,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.863 70.4 145.0 58.5 40.9 -2.7 19.3 -5.3 68 68 A T - 0 0 20 -4,-0.3 -4,-2.4 1,-0.0 -1,-0.2 -0.902 55.9 -98.6-113.4 138.1 -2.0 19.6 -1.6 69 69 A N E -gF 132 63A 2 62,-0.6 64,-2.2 -2,-0.4 -6,-0.2 -0.215 25.8-175.4 -42.4 126.8 -4.0 18.4 1.3 70 70 A L E - 0 0 7 -8,-2.1 -7,-0.2 2,-0.2 -1,-0.1 0.374 38.2-131.9-100.6 -9.5 -6.2 20.9 3.1 71 71 A E E + 0 0 3 -9,-0.6 -32,-1.7 1,-0.2 2,-0.5 0.485 68.8 117.2 72.1 5.8 -7.1 18.3 5.7 72 72 A I E -D 38 0A 0 -10,-0.3 -10,-3.0 -34,-0.2 2,-0.5 -0.908 43.1-170.8-100.8 130.8 -10.9 18.9 5.5 73 73 A T E -DF 37 61A 9 -36,-2.2 -36,-1.8 -2,-0.5 2,-0.5 -0.984 11.3-151.1-116.9 129.0 -13.2 16.2 4.2 74 74 A I E -DF 36 60A 26 -14,-2.7 -14,-3.3 -2,-0.5 2,-0.4 -0.886 17.6-168.4 -98.9 131.0 -16.8 17.1 3.5 75 75 A V E -DF 35 59A 0 -40,-2.8 -40,-2.4 -2,-0.5 2,-0.4 -0.895 18.0-150.7-122.3 146.8 -19.3 14.3 4.1 76 76 A K E -DF 34 58A 108 -18,-2.5 -19,-1.5 -2,-0.4 -18,-1.4 -0.977 25.2-154.0-112.7 136.3 -22.9 13.9 3.2 77 77 A L E - 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