==== 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 3ZV8 . 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) . 9700.0 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 99 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-129.6 -38.7 -7.7 -26.5 2 2 A P - 0 0 37 0, 0.0 2,-1.6 0, 0.0 3,-0.3 -0.170 360.0-116.7 -55.2 145.8 -36.3 -5.3 -24.5 3 3 A G > + 0 0 11 96,-0.5 4,-2.1 1,-0.2 98,-0.1 -0.651 50.3 158.2 -81.6 77.8 -37.7 -2.0 -23.0 4 4 A F H > S+ 0 0 87 -2,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.816 70.7 55.4 -68.8 -39.0 -35.5 0.2 -25.2 5 5 A D H > S+ 0 0 131 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.949 109.8 46.1 -61.5 -47.1 -37.7 3.2 -24.7 6 6 A F H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.945 112.6 49.2 -58.6 -48.5 -37.4 2.8 -20.9 7 7 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.831 110.7 52.8 -62.0 -31.9 -33.6 2.4 -21.0 8 8 A Q H X S+ 0 0 81 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.930 107.0 49.9 -71.1 -47.0 -33.4 5.5 -23.3 9 9 A A H X S+ 0 0 40 -4,-2.3 4,-1.9 1,-0.2 5,-0.4 0.894 110.9 50.4 -56.0 -42.7 -35.4 7.7 -20.8 10 10 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.934 111.0 49.7 -61.5 -43.2 -33.1 6.6 -18.0 11 11 A M H X S+ 0 0 2 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.895 112.5 46.1 -65.3 -41.1 -30.0 7.5 -20.0 12 12 A K H < S+ 0 0 134 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.971 125.1 26.1 -70.5 -52.7 -31.2 10.9 -21.1 13 13 A K H < S+ 0 0 128 -4,-1.9 71,-0.5 -5,-0.2 -2,-0.2 0.697 130.1 35.8 -82.8 -17.8 -32.5 12.3 -17.8 14 14 A N H < S+ 0 0 0 -4,-2.1 15,-3.0 -5,-0.4 2,-0.3 0.293 94.1 75.1-129.9 16.5 -30.3 10.3 -15.4 15 15 A T E < +A 28 0A 10 -4,-1.0 2,-0.3 13,-0.2 13,-0.2 -0.913 41.4 175.8-128.4 157.2 -26.8 9.5 -16.5 16 16 A V E -A 27 0A 4 11,-2.0 11,-2.4 -2,-0.3 2,-0.5 -0.924 37.5-104.4-145.1 163.9 -23.6 11.5 -16.8 17 17 A V E -A 26 0A 10 -2,-0.3 33,-2.5 9,-0.2 34,-0.4 -0.857 39.1-165.1 -93.5 127.5 -20.0 10.7 -17.7 18 18 A A E -AB 25 49A 0 7,-2.6 7,-2.1 -2,-0.5 2,-0.4 -0.911 4.5-165.7-117.0 144.8 -17.8 10.5 -14.6 19 19 A R E +AB 24 48A 84 29,-2.4 29,-2.1 -2,-0.4 2,-0.2 -0.987 13.6 162.1-138.3 130.9 -14.1 10.5 -14.7 20 20 A T E > -A 23 0A 20 3,-2.4 3,-2.1 -2,-0.4 23,-0.1 -0.701 62.9 -77.6-130.7 179.0 -11.7 9.7 -11.9 21 21 A E T 3 S+ 0 0 204 21,-0.3 3,-0.1 1,-0.3 21,-0.1 0.715 130.5 59.4 -52.3 -16.9 -8.0 8.8 -11.7 22 22 A K T 3 S- 0 0 133 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.563 115.9-101.7 -94.7 -7.2 -9.2 5.3 -12.9 23 23 A G E < -A 20 0A 30 -3,-2.1 -3,-2.4 18,-0.2 -1,-0.3 -0.851 56.6 -29.9 123.7-165.2 -10.8 6.5 -16.1 24 24 A E E +A 19 0A 59 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.747 51.8 177.9 -96.3 148.1 -14.3 7.1 -17.4 25 25 A F E -A 18 0A 9 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.3 -0.975 37.4-109.1-143.9 143.2 -17.5 5.4 -16.1 26 26 A T E -A 17 0A 1 121,-2.0 2,-0.5 -2,-0.3 -9,-0.2 -0.640 41.8-155.6 -66.2 132.1 -21.2 5.7 -16.9 27 27 A M E -A 16 0A 0 -11,-2.4 -11,-2.0 -2,-0.3 2,-0.6 -0.988 5.0-147.6-122.8 126.8 -22.7 7.3 -13.7 28 28 A L E -AC 15 36A 0 8,-1.4 8,-2.2 -2,-0.5 2,-0.3 -0.843 6.6-149.4 -98.5 117.5 -26.3 6.9 -12.7 29 29 A G E - C 0 35A 0 -15,-3.0 6,-0.3 -2,-0.6 3,-0.1 -0.697 16.6-179.8 -82.7 137.8 -27.9 9.8 -10.9 30 30 A V E - 0 0 0 4,-3.4 56,-2.4 1,-0.4 57,-0.4 0.818 54.6 -25.9-112.1 -47.4 -30.6 8.6 -8.6 31 31 A H E > S- C 0 34A 16 3,-1.4 3,-3.7 54,-0.2 -1,-0.4 -0.946 108.3 -14.5-165.1 154.5 -32.2 11.5 -6.7 32 32 A D B 3 S-N 83 0B 60 51,-0.8 51,-2.7 1,-0.3 44,-0.0 -0.195 128.7 -32.0 51.0-117.5 -31.3 15.1 -5.7 33 33 A R T 3 S+ 0 0 81 49,-0.2 44,-2.3 -4,-0.0 2,-0.4 -0.021 109.8 118.5-119.4 32.6 -27.5 15.1 -6.1 34 34 A V E < +CD 31 76A 23 -3,-3.7 -4,-3.4 42,-0.2 -3,-1.4 -0.829 34.3 161.3-100.0 133.6 -27.0 11.5 -5.2 35 35 A A E -CD 29 75A 0 40,-2.7 40,-3.1 -2,-0.4 2,-0.3 -0.873 27.3-127.5-138.3 173.7 -25.5 9.1 -7.8 36 36 A V E +CD 28 74A 0 -8,-2.2 -8,-1.4 -2,-0.3 38,-0.2 -0.947 22.6 167.8-127.3 151.6 -23.8 5.7 -8.1 37 37 A I E - D 0 73A 0 36,-1.8 36,-2.6 -2,-0.3 -10,-0.1 -0.973 46.6 -83.3-152.4 153.1 -20.6 4.5 -9.6 38 38 A P E > - D 0 72A 0 0, 0.0 3,-2.4 0, 0.0 4,-0.3 -0.366 35.8-124.8 -61.8 138.9 -18.6 1.3 -9.3 39 39 A T G > S+ 0 0 34 32,-1.3 3,-2.2 1,-0.3 4,-0.2 0.822 107.1 71.2 -52.9 -29.5 -16.3 1.1 -6.3 40 40 A H G 3 S+ 0 0 71 1,-0.3 -1,-0.3 31,-0.3 32,-0.0 0.667 78.9 77.2 -68.5 -9.3 -13.4 0.4 -8.6 41 41 A A G < S- 0 0 0 -3,-2.4 -19,-0.6 -20,-0.0 -1,-0.3 0.721 95.0-140.9 -67.9 -21.6 -13.6 4.0 -9.9 42 42 A S < - 0 0 71 -3,-2.2 -21,-0.3 -4,-0.3 -2,-0.1 0.970 16.9-148.2 60.7 57.5 -11.8 5.0 -6.6 43 43 A V + 0 0 31 -4,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.341 21.9 177.1 -63.3 133.6 -13.8 8.2 -5.9 44 44 A G - 0 0 50 2,-0.6 -1,-0.1 -2,-0.0 3,-0.1 0.147 50.9 -64.7-110.5-133.4 -11.8 10.9 -4.1 45 45 A E S S+ 0 0 160 1,-0.1 11,-2.5 10,-0.1 2,-0.3 0.596 117.4 34.2-109.3 -10.3 -12.8 14.4 -3.2 46 46 A T E + E 0 55A 63 9,-0.3 -2,-0.6 31,-0.0 2,-0.3 -0.960 66.3 178.4-135.4 155.9 -13.3 15.8 -6.6 47 47 A I E - E 0 54A 2 7,-2.5 7,-3.3 -2,-0.3 2,-0.5 -0.982 29.8-114.2-147.9 153.1 -14.6 14.1 -9.8 48 48 A Y E -BE 19 53A 82 -29,-2.1 -29,-2.4 -2,-0.3 2,-0.5 -0.863 26.5-173.3 -95.2 132.2 -15.3 15.2 -13.3 49 49 A I E > S-BE 18 52A 1 3,-2.7 3,-1.7 -2,-0.5 -31,-0.2 -0.979 79.8 -16.2-124.3 113.9 -18.9 15.1 -14.4 50 50 A N T 3 S- 0 0 72 -33,-2.5 -1,-0.2 -2,-0.5 -32,-0.1 0.899 129.4 -57.4 49.6 43.6 -19.4 15.8 -18.1 51 51 A D T 3 S+ 0 0 94 -34,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.524 114.1 121.4 66.0 8.7 -15.9 17.1 -18.0 52 52 A V E < -E 49 0A 93 -3,-1.7 -3,-2.7 2,-0.0 2,-0.3 -0.905 68.6-121.0 -98.9 125.9 -16.7 19.7 -15.3 53 53 A E E -E 48 0A 122 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.488 38.5-171.3 -66.7 126.4 -14.7 19.3 -12.1 54 54 A T E -E 47 0A 9 -7,-3.3 -7,-2.5 -2,-0.3 2,-0.4 -0.949 25.2-118.4-133.6 136.1 -17.1 18.7 -9.2 55 55 A K E -E 46 0A 126 23,-0.5 23,-2.4 -2,-0.4 2,-0.8 -0.601 22.7-140.5 -72.5 130.2 -16.7 18.5 -5.5 56 56 A V E -F 77 0A 16 -11,-2.5 21,-0.2 -2,-0.4 3,-0.1 -0.824 19.3-177.1 -87.1 105.7 -17.6 15.1 -4.0 57 57 A L E + 0 0 92 19,-2.1 2,-0.3 -2,-0.8 20,-0.2 0.810 69.6 3.5 -78.5 -25.8 -19.5 16.0 -0.7 58 58 A D E -F 76 0A 42 18,-1.4 18,-2.8 -3,-0.1 2,-0.4 -0.969 57.2-175.1-161.0 138.0 -19.9 12.3 0.2 59 59 A A E -F 75 0A 28 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.984 5.0-172.5-136.2 126.5 -18.8 8.9 -1.0 60 60 A C E -F 74 0A 42 14,-2.4 14,-2.6 -2,-0.4 2,-0.9 -0.950 12.3-154.9-125.7 108.3 -20.0 5.6 0.5 61 61 A A E -F 73 0A 56 -2,-0.5 12,-0.3 12,-0.3 2,-0.1 -0.738 29.9-130.3 -77.1 104.1 -18.4 2.4 -0.8 62 62 A L E + 0 0 35 10,-3.1 8,-2.4 -2,-0.9 9,-0.6 -0.329 34.0 169.0 -72.3 135.2 -21.1 -0.2 0.1 63 63 A R E -F 69 0A 123 6,-0.2 6,-0.2 7,-0.2 2,-0.1 -0.942 27.1-124.0-131.3 153.5 -20.3 -3.4 1.9 64 64 A D > - 0 0 20 4,-2.5 3,-2.4 -2,-0.3 4,-0.4 -0.355 39.7 -85.9 -92.5-178.9 -22.7 -5.9 3.4 65 65 A L T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.574 127.4 62.5 -69.8 -8.8 -22.9 -7.3 7.0 66 66 A T T 3 S- 0 0 88 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.265 118.7-114.9 -86.2 10.6 -20.3 -9.9 6.1 67 67 A D < + 0 0 112 -3,-2.4 2,-0.5 1,-0.2 -2,-0.2 0.879 69.9 143.8 54.6 42.6 -18.0 -6.9 5.5 68 68 A T - 0 0 20 -4,-0.4 -4,-2.5 62,-0.0 -1,-0.2 -0.924 56.9 -99.5-113.5 138.1 -17.8 -7.9 1.9 69 69 A N E -gF 132 63A 5 62,-0.6 64,-2.0 -2,-0.5 -6,-0.2 -0.206 26.4-174.4 -43.8 131.0 -17.6 -5.5 -1.1 70 70 A L E - 0 0 7 -8,-2.4 -7,-0.2 62,-0.2 -1,-0.1 0.396 37.4-131.0-107.6 -9.9 -20.8 -4.8 -2.9 71 71 A E E + 0 0 8 -9,-0.6 -32,-1.3 1,-0.2 2,-0.5 0.613 67.6 117.1 70.1 15.7 -19.0 -2.7 -5.6 72 72 A I E -D 38 0A 0 -10,-0.4 -10,-3.1 -34,-0.2 2,-0.5 -0.963 44.2-166.5-109.7 133.9 -21.4 0.3 -5.4 73 73 A T E -DF 37 61A 9 -36,-2.6 -36,-1.8 -2,-0.5 2,-0.5 -0.979 9.4-151.8-116.1 126.2 -20.3 3.7 -4.3 74 74 A I E -DF 36 60A 25 -14,-2.6 -14,-2.4 -2,-0.5 2,-0.4 -0.854 19.4-169.3 -95.9 127.0 -23.0 6.2 -3.5 75 75 A V E -DF 35 59A 1 -40,-3.1 -40,-2.7 -2,-0.5 2,-0.5 -0.923 19.0-152.6-120.7 144.7 -21.8 9.8 -4.1 76 76 A K E -DF 34 58A 107 -18,-2.8 -19,-2.1 -2,-0.4 -18,-1.4 -0.977 24.3-157.4-110.0 128.4 -23.2 13.1 -3.2 77 77 A L E - 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