==== 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 3ZVG . 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) . 9591.0 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 . 2 1.1 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 . 19 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.5 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 0 101 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.6 -26.4 -30.0 -2.0 2 2 A P - 0 0 35 0, 0.0 2,-1.7 0, 0.0 3,-0.2 -0.190 360.0-115.3 -59.1 146.1 -23.2 -28.9 -3.9 3 3 A G > + 0 0 9 96,-0.6 4,-2.3 1,-0.2 5,-0.1 -0.537 50.8 157.0 -83.7 72.7 -21.0 -31.6 -5.5 4 4 A F H > + 0 0 87 -2,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.842 69.9 55.0 -63.7 -39.1 -17.9 -31.1 -3.4 5 5 A D H > S+ 0 0 132 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 109.4 45.6 -64.3 -45.5 -16.5 -34.5 -4.0 6 6 A F H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.950 112.6 52.0 -60.0 -50.9 -16.6 -34.1 -7.8 7 7 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.889 109.9 49.7 -51.6 -44.7 -15.0 -30.6 -7.4 8 8 A Q H X S+ 0 0 77 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.908 107.1 52.9 -65.1 -43.9 -12.2 -32.1 -5.3 9 9 A A H X S+ 0 0 41 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.923 112.5 46.7 -57.8 -42.7 -11.5 -35.0 -7.8 10 10 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 113.6 47.3 -62.9 -46.2 -11.1 -32.4 -10.6 11 11 A M H X S+ 0 0 6 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.931 112.6 50.0 -62.2 -42.2 -8.9 -30.1 -8.5 12 12 A K H < S+ 0 0 135 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.882 125.8 21.8 -63.8 -49.6 -6.7 -33.0 -7.3 13 13 A K H < S+ 0 0 138 -4,-2.0 71,-0.5 -5,-0.2 -1,-0.2 0.668 129.3 39.8 -97.3 -20.5 -5.9 -34.5 -10.7 14 14 A N H < S+ 0 0 0 -4,-2.4 15,-3.3 -5,-0.3 2,-0.4 0.268 92.5 78.3-123.8 15.3 -6.6 -31.7 -13.1 15 15 A T E < +A 28 0A 10 -4,-1.1 2,-0.3 13,-0.2 13,-0.2 -0.953 40.8 173.3-125.8 152.5 -5.4 -28.3 -11.9 16 16 A V E -A 27 0A 8 11,-2.0 11,-2.2 -2,-0.4 2,-0.5 -0.883 38.5-103.4-138.7 166.3 -2.0 -26.6 -11.6 17 17 A V E -A 26 0A 11 -2,-0.3 33,-2.9 9,-0.2 2,-0.4 -0.861 38.3-167.2 -93.4 127.4 -0.9 -23.1 -10.6 18 18 A A E -AB 25 49A 0 7,-2.6 7,-2.6 -2,-0.5 2,-0.4 -0.931 4.6-168.2-115.5 141.8 -0.1 -21.0 -13.7 19 19 A R E +AB 24 48A 79 29,-2.2 29,-2.3 -2,-0.4 5,-0.2 -0.986 12.1 164.3-135.1 126.0 1.7 -17.7 -13.5 20 20 A T E > -A 23 0A 18 3,-2.1 3,-2.0 -2,-0.4 23,-0.1 -0.566 62.4 -75.8-118.6-175.8 2.1 -15.2 -16.3 21 21 A E T 3 S+ 0 0 154 21,-0.4 21,-0.1 1,-0.3 3,-0.1 0.710 131.2 59.5 -54.3 -21.5 3.1 -11.5 -16.4 22 22 A K T 3 S- 0 0 121 19,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.548 116.3-103.0 -89.8 -6.5 -0.4 -10.8 -15.0 23 23 A G E < -A 20 0A 29 -3,-2.0 -3,-2.1 18,-0.2 -1,-0.3 -0.801 58.4 -25.4 119.9-163.6 -0.0 -12.9 -11.9 24 24 A E E +A 19 0A 52 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.650 51.7 178.6 -97.2 151.5 -1.3 -16.3 -10.8 25 25 A F E -A 18 0A 23 -7,-2.6 -7,-2.6 -2,-0.3 123,-0.2 -0.989 35.2-111.6-147.8 140.9 -4.3 -18.2 -12.1 26 26 A T E -A 17 0A 1 121,-1.8 2,-0.5 -2,-0.3 -9,-0.2 -0.543 40.3-152.5 -65.6 143.6 -5.8 -21.5 -11.3 27 27 A M E -A 16 0A 0 -11,-2.2 -11,-2.0 78,-0.3 2,-0.5 -0.977 7.4-148.6-133.7 124.6 -5.3 -23.6 -14.5 28 28 A L E -AC 15 36A 1 8,-0.7 8,-2.4 -2,-0.5 2,-0.4 -0.807 8.4-150.2 -91.0 123.8 -7.5 -26.5 -15.6 29 29 A G E - C 0 35A 0 -15,-3.3 6,-0.3 -2,-0.5 3,-0.1 -0.791 15.2-178.8 -89.6 131.5 -5.8 -29.3 -17.5 30 30 A V E - 0 0 0 4,-3.0 56,-3.2 -2,-0.4 57,-0.5 0.858 56.0 -28.7-104.2 -46.4 -8.2 -30.9 -20.0 31 31 A H E > S- C 0 34A 16 3,-1.3 3,-3.5 54,-0.2 -1,-0.4 -0.954 107.1 -12.4-166.1 157.9 -6.4 -33.8 -21.7 32 32 A D B 3 S-N 83 0B 63 51,-0.8 51,-3.4 -2,-0.3 44,-0.0 -0.165 127.7 -31.4 47.1-119.1 -2.8 -34.7 -22.8 33 33 A R T 3 S+ 0 0 79 49,-0.2 44,-2.5 -3,-0.1 2,-0.5 -0.026 110.5 116.8-120.0 32.0 -0.8 -31.5 -22.3 34 34 A V E < +CD 31 76A 22 -3,-3.5 -4,-3.0 42,-0.2 -3,-1.3 -0.863 33.9 157.0-108.4 131.2 -3.7 -29.2 -23.1 35 35 A A E -CD 29 75A 0 40,-2.3 40,-2.9 -2,-0.5 2,-0.3 -0.813 28.7-122.1-140.5 177.3 -5.1 -26.8 -20.5 36 36 A V E +CD 28 74A 1 -8,-2.4 -8,-0.7 -2,-0.2 38,-0.2 -0.902 22.2 170.3-128.0 159.3 -7.0 -23.5 -20.3 37 37 A I E - D 0 73A 0 36,-1.8 36,-2.2 -2,-0.3 -10,-0.1 -0.973 46.6 -83.4-158.8 150.7 -6.5 -20.1 -18.8 38 38 A P E > - D 0 72A 3 0, 0.0 3,-2.3 0, 0.0 34,-0.2 -0.358 37.7-127.4 -60.6 135.7 -8.4 -16.8 -19.0 39 39 A T G > S+ 0 0 29 32,-1.6 3,-1.9 1,-0.3 4,-0.3 0.841 106.8 65.2 -54.6 -34.9 -7.4 -14.8 -22.1 40 40 A H G 3 S+ 0 0 98 1,-0.3 -1,-0.3 31,-0.2 32,-0.0 0.580 78.9 80.4 -71.2 -7.1 -6.7 -11.8 -20.0 41 41 A A G < S- 0 0 0 -3,-2.3 -19,-0.7 -20,-0.0 -1,-0.3 0.634 96.0-137.7 -60.1 -18.8 -3.8 -13.6 -18.3 42 42 A S < - 0 0 48 -3,-1.9 -21,-0.4 -4,-0.2 -2,-0.1 0.956 17.9-153.5 55.9 61.4 -1.8 -12.8 -21.5 43 43 A V - 0 0 31 -4,-0.3 -1,-0.1 -23,-0.1 4,-0.1 -0.404 15.4-175.3 -62.9 138.1 0.1 -16.0 -22.0 44 44 A G - 0 0 47 2,-0.7 -1,-0.1 -2,-0.1 3,-0.1 -0.002 50.0 -65.7-109.8-140.9 3.4 -15.6 -23.9 45 45 A E S S+ 0 0 164 1,-0.1 11,-2.9 -2,-0.1 2,-0.3 0.614 120.3 33.8 -98.8 -8.6 5.8 -18.3 -25.1 46 46 A T E + E 0 55A 58 9,-0.3 -2,-0.7 31,-0.0 2,-0.3 -0.966 66.6 179.6-134.1 159.5 6.7 -19.5 -21.7 47 47 A I E - E 0 54A 2 7,-2.7 7,-2.2 -2,-0.3 2,-0.5 -0.984 31.3-109.5-150.7 148.1 4.6 -19.7 -18.5 48 48 A Y E -BE 19 53A 82 -29,-2.3 -29,-2.2 -2,-0.3 2,-0.5 -0.772 28.4-171.3 -85.7 129.5 5.2 -20.9 -14.9 49 49 A I E > S-BE 18 52A 2 3,-2.5 3,-2.2 -2,-0.5 -31,-0.2 -0.979 78.8 -19.4-119.3 114.5 3.5 -24.1 -14.0 50 50 A N T 3 S- 0 0 72 -33,-2.9 -1,-0.2 -2,-0.5 -32,-0.1 0.935 129.6 -55.1 45.9 47.7 3.7 -25.0 -10.2 51 51 A D T 3 S+ 0 0 102 -34,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.380 115.0 120.1 67.0 5.0 6.7 -22.6 -10.3 52 52 A V E < -E 49 0A 96 -3,-2.2 -3,-2.5 -5,-0.0 -1,-0.2 -0.862 69.3-120.5 -98.1 121.0 8.5 -24.4 -13.1 53 53 A E E -E 48 0A 117 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.379 39.4-172.8 -61.9 132.9 9.1 -22.4 -16.2 54 54 A T E -E 47 0A 8 -7,-2.2 -7,-2.7 -2,-0.1 2,-0.3 -0.986 25.0-117.2-141.0 134.3 7.4 -24.1 -19.1 55 55 A K E -E 46 0A 120 23,-0.4 23,-2.5 -2,-0.4 2,-0.9 -0.555 20.7-139.8 -72.4 132.4 7.3 -23.6 -22.9 56 56 A V E -F 77 0A 17 -11,-2.9 21,-0.2 -2,-0.3 3,-0.1 -0.844 19.6-176.2 -91.6 103.0 3.9 -22.7 -24.3 57 57 A L E S+ 0 0 96 19,-1.8 2,-0.3 -2,-0.9 20,-0.2 0.778 70.1 2.6 -74.0 -29.2 3.9 -24.8 -27.5 58 58 A D E -F 76 0A 43 18,-1.3 18,-2.5 -3,-0.1 2,-0.3 -0.975 58.1-172.8-155.3 146.0 0.5 -23.4 -28.6 59 59 A A E -F 75 0A 32 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.917 5.7-171.4-142.3 114.2 -1.9 -20.7 -27.3 60 60 A C E -F 74 0A 38 14,-2.8 14,-2.4 -2,-0.3 2,-0.9 -0.940 11.7-154.5-111.8 110.4 -5.4 -20.2 -28.9 61 61 A A E -F 73 0A 56 -2,-0.6 12,-0.3 12,-0.2 2,-0.1 -0.747 28.1-130.4 -80.7 104.5 -7.4 -17.2 -27.7 62 62 A L E + 0 0 33 10,-3.0 8,-2.5 -2,-0.9 9,-0.6 -0.353 33.3 170.5 -68.7 133.7 -11.0 -18.3 -28.5 63 63 A R E -F 69 0A 125 6,-0.2 6,-0.2 7,-0.2 2,-0.1 -0.956 26.9-124.6-132.2 152.9 -13.3 -16.0 -30.3 64 64 A D > - 0 0 21 4,-2.5 3,-2.5 -2,-0.3 4,-0.3 -0.316 41.7 -86.5 -90.6-175.2 -16.8 -16.7 -31.7 65 65 A L T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.527 128.0 62.6 -73.9 -2.3 -18.0 -16.2 -35.3 66 66 A T T 3 S- 0 0 89 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.286 119.3-113.1 -93.2 6.9 -18.8 -12.6 -34.5 67 67 A D < + 0 0 113 -3,-2.5 2,-0.4 1,-0.2 -2,-0.2 0.915 69.9 146.8 61.8 41.3 -15.1 -12.1 -33.8 68 68 A T - 0 0 19 -4,-0.3 -4,-2.5 62,-0.0 -1,-0.2 -0.924 55.1-102.0-112.0 135.6 -15.9 -11.6 -30.1 69 69 A N E -gF 132 63A 3 62,-0.7 64,-2.2 -2,-0.4 -6,-0.2 -0.301 24.9-172.8 -41.9 126.3 -13.7 -12.6 -27.2 70 70 A L E - 0 0 6 -8,-2.5 -7,-0.2 2,-0.2 -1,-0.1 0.388 36.9-131.5 -97.8 -7.6 -14.8 -15.8 -25.4 71 71 A E E S+ 0 0 3 -9,-0.6 -32,-1.6 1,-0.2 2,-0.5 0.545 70.0 116.2 67.6 9.3 -12.1 -15.2 -22.7 72 72 A I E -D 38 0A 0 -10,-0.4 -10,-3.0 -34,-0.2 2,-0.4 -0.926 43.9-171.0-104.3 133.7 -10.8 -18.8 -22.9 73 73 A T E -DF 37 61A 8 -36,-2.2 -36,-1.8 -2,-0.5 2,-0.5 -0.995 11.5-151.0-119.2 125.9 -7.3 -19.5 -24.1 74 74 A I E -DF 36 60A 25 -14,-2.4 -14,-2.8 -2,-0.4 2,-0.4 -0.846 17.8-167.2 -92.6 132.6 -6.4 -23.1 -24.8 75 75 A V E -DF 35 59A 1 -40,-2.9 -40,-2.3 -2,-0.5 2,-0.5 -0.912 17.8-150.8-123.6 147.6 -2.7 -23.8 -24.3 76 76 A K E -DF 34 58A 115 -18,-2.5 -19,-1.8 -2,-0.4 -18,-1.3 -0.975 26.3-155.0-111.7 132.6 -0.5 -26.7 -25.2 77 77 A L E - 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