==== 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 3ZVC . 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) . 9679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 70.2 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 . 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 0 108 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.8 -13.5 38.3 26.5 2 2 A P - 0 0 41 0, 0.0 2,-1.9 0, 0.0 3,-0.3 -0.324 360.0-113.1 -63.3 147.6 -13.7 34.9 24.6 3 3 A G > + 0 0 9 96,-0.6 4,-2.2 1,-0.2 5,-0.1 -0.466 54.5 154.2 -84.6 68.7 -17.0 34.2 22.8 4 4 A F H > + 0 0 86 -2,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.854 69.6 54.8 -63.1 -38.1 -18.2 31.3 25.0 5 5 A D H > S+ 0 0 132 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.918 109.6 46.0 -66.3 -42.0 -21.9 31.8 24.4 6 6 A F H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.942 112.4 51.7 -60.7 -48.6 -21.4 31.7 20.6 7 7 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.898 110.1 49.1 -54.0 -44.8 -19.2 28.6 20.9 8 8 A Q H X S+ 0 0 108 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.909 108.4 52.2 -65.0 -41.6 -21.9 26.9 23.0 9 9 A A H X S+ 0 0 42 -4,-2.1 4,-1.9 1,-0.2 5,-0.3 0.914 112.0 47.4 -62.0 -39.5 -24.7 27.7 20.6 10 10 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 114.2 46.5 -65.4 -43.0 -22.6 26.2 17.8 11 11 A M H X S+ 0 0 2 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.928 111.7 51.3 -65.3 -42.3 -21.8 23.1 19.8 12 12 A K H < S+ 0 0 170 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.910 125.7 22.0 -61.3 -49.2 -25.4 22.6 21.0 13 13 A K H < S+ 0 0 127 -4,-1.9 71,-0.5 -5,-0.2 -1,-0.2 0.646 128.9 39.4 -97.3 -18.6 -27.1 22.7 17.5 14 14 A N H < S+ 0 0 0 -4,-2.3 15,-3.3 -5,-0.3 2,-0.4 0.247 92.5 80.1-127.9 16.9 -24.2 21.8 15.1 15 15 A T E < +A 28 0A 11 -4,-1.1 2,-0.3 13,-0.2 13,-0.2 -0.959 40.0 172.7-126.2 150.1 -22.0 19.1 16.5 16 16 A V E -A 27 0A 8 11,-2.0 11,-2.4 -2,-0.4 2,-0.6 -0.888 39.4-104.4-135.7 165.7 -22.2 15.3 16.7 17 17 A V E -A 26 0A 11 -2,-0.3 33,-2.7 9,-0.2 2,-0.4 -0.861 38.8-165.2 -90.5 122.7 -19.6 12.7 17.8 18 18 A A E -AB 25 49A 0 7,-2.9 7,-2.7 -2,-0.6 2,-0.4 -0.886 4.5-166.9-109.5 145.1 -18.2 10.9 14.7 19 19 A R E +AB 24 48A 82 29,-2.3 29,-2.1 -2,-0.4 5,-0.2 -0.977 12.4 165.2-137.1 122.7 -16.3 7.7 14.8 20 20 A T E > -A 23 0A 19 3,-2.3 3,-1.8 -2,-0.4 23,-0.1 -0.535 60.6 -78.7-115.6-174.3 -14.3 6.1 12.0 21 21 A E T 3 S+ 0 0 159 21,-0.4 21,-0.1 1,-0.3 3,-0.1 0.762 131.1 57.5 -58.2 -23.9 -11.7 3.3 12.0 22 22 A K T 3 S- 0 0 125 19,-0.8 2,-0.3 1,-0.3 -1,-0.3 0.510 117.6-103.0 -87.2 -6.3 -9.3 6.0 13.3 23 23 A G E < -A 20 0A 29 -3,-1.8 -3,-2.3 18,-0.2 2,-0.3 -0.811 58.3 -22.3 120.3-161.4 -11.3 6.8 16.4 24 24 A E E +A 19 0A 53 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.693 50.8 179.1 -96.7 147.5 -13.6 9.6 17.6 25 25 A F E -A 18 0A 22 -7,-2.7 -7,-2.9 -2,-0.3 123,-0.2 -0.992 35.4-112.3-142.1 141.7 -13.7 13.1 16.2 26 26 A T E -A 17 0A 1 121,-1.9 2,-0.5 -2,-0.3 -9,-0.2 -0.544 40.7-151.4 -62.9 139.8 -15.8 16.1 17.0 27 27 A M E -A 16 0A 0 -11,-2.4 -11,-2.0 78,-0.3 2,-0.5 -0.963 8.0-151.1-129.0 121.8 -18.0 16.7 13.9 28 28 A L E -AC 15 36A 0 8,-0.7 8,-2.3 -2,-0.5 2,-0.4 -0.766 8.7-150.6 -89.0 122.9 -19.3 20.0 12.7 29 29 A G E - C 0 35A 0 -15,-3.3 6,-0.3 -2,-0.5 3,-0.1 -0.802 15.0-178.1 -89.4 134.2 -22.6 19.9 10.8 30 30 A V E - 0 0 0 4,-2.9 56,-2.6 -2,-0.4 57,-0.4 0.834 55.4 -28.3-105.2 -46.7 -22.7 22.8 8.3 31 31 A H E > S- C 0 34A 16 3,-1.5 3,-3.3 54,-0.2 -1,-0.4 -0.965 107.1 -12.0-167.1 155.3 -26.1 22.7 6.5 32 32 A D B 3 S-N 83 0B 61 51,-0.8 51,-3.5 -2,-0.3 44,-0.0 -0.199 128.0 -32.3 51.4-120.5 -28.7 20.1 5.4 33 33 A R T 3 S+ 0 0 80 49,-0.2 44,-2.6 2,-0.0 2,-0.4 -0.033 110.9 117.2-118.1 31.6 -26.9 16.7 5.9 34 34 A V E < +CD 31 76A 22 -3,-3.3 -4,-2.9 42,-0.2 -3,-1.5 -0.853 34.1 158.3-105.2 131.8 -23.5 18.1 5.2 35 35 A A E -CD 29 75A 0 40,-2.2 40,-2.8 -2,-0.4 2,-0.3 -0.824 29.1-121.9-140.4 173.6 -20.7 18.0 7.8 36 36 A V E +CD 28 74A 1 -8,-2.3 -8,-0.7 -2,-0.3 38,-0.2 -0.905 22.9 170.7-124.7 156.8 -16.9 18.2 8.1 37 37 A I E - D 0 73A 0 36,-1.8 36,-2.2 -2,-0.3 -10,-0.1 -0.969 46.0 -86.5-155.2 149.0 -14.3 15.9 9.6 38 38 A P E > - D 0 72A 2 0, 0.0 3,-2.0 0, 0.0 34,-0.2 -0.391 36.8-126.5 -60.2 140.0 -10.4 16.0 9.3 39 39 A T G > S+ 0 0 29 32,-2.1 3,-1.8 1,-0.3 4,-0.2 0.794 106.9 65.6 -56.7 -33.0 -9.2 14.1 6.2 40 40 A H G 3 S+ 0 0 87 1,-0.3 -1,-0.3 31,-0.3 32,-0.1 0.587 79.0 81.2 -74.7 -3.8 -6.9 11.9 8.4 41 41 A A G < S- 0 0 0 -3,-2.0 -19,-0.8 -20,-0.0 -1,-0.3 0.666 95.9-138.4 -64.2 -18.2 -10.0 10.4 10.1 42 42 A S < - 0 0 46 -3,-1.8 -21,-0.4 -4,-0.2 -2,-0.1 0.953 18.9-154.3 58.9 57.0 -10.1 8.2 6.9 43 43 A V - 0 0 29 -4,-0.2 -1,-0.1 -5,-0.2 4,-0.1 -0.389 14.6-174.0 -63.5 136.3 -13.9 8.3 6.4 44 44 A G - 0 0 46 2,-0.6 -1,-0.1 -2,-0.1 3,-0.1 0.027 49.2 -66.3-106.6-143.3 -15.2 5.2 4.5 45 45 A E S S+ 0 0 164 1,-0.1 11,-2.4 10,-0.1 2,-0.3 0.561 120.0 35.5 -94.8 -8.5 -18.7 4.4 3.2 46 46 A T E + E 0 55A 58 9,-0.3 -2,-0.6 31,-0.0 2,-0.3 -0.982 65.9 178.4-134.5 156.9 -20.3 4.2 6.7 47 47 A I E - E 0 54A 2 7,-2.7 7,-2.1 -2,-0.3 2,-0.5 -0.985 30.8-112.9-149.2 152.2 -19.5 6.2 9.9 48 48 A Y E -BE 19 53A 82 -29,-2.1 -29,-2.3 -2,-0.3 2,-0.5 -0.818 27.3-172.2 -91.4 128.9 -20.9 6.2 13.5 49 49 A I E > S-BE 18 52A 2 3,-2.2 3,-2.1 -2,-0.5 -31,-0.2 -0.990 80.1 -16.8-119.7 116.9 -22.7 9.4 14.4 50 50 A N T 3 S- 0 0 68 -33,-2.7 -1,-0.2 -2,-0.5 -32,-0.1 0.926 130.6 -56.1 46.1 46.8 -23.6 9.6 18.1 51 51 A D T 3 S+ 0 0 99 -34,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.468 114.1 119.6 64.7 12.2 -23.0 5.8 18.0 52 52 A V E < -E 49 0A 94 -3,-2.1 -3,-2.2 -5,-0.0 -1,-0.2 -0.920 69.7-120.4-105.1 120.1 -25.5 5.1 15.2 53 53 A E E -E 48 0A 116 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.365 40.1-175.2 -60.7 135.0 -24.0 3.6 12.0 54 54 A T E -E 47 0A 12 -7,-2.1 -7,-2.7 -2,-0.0 2,-0.3 -0.995 26.3-114.4-142.4 133.6 -24.8 6.0 9.2 55 55 A K E -E 46 0A 121 23,-0.4 23,-2.3 -2,-0.4 2,-0.9 -0.597 19.6-140.8 -69.9 134.5 -24.2 5.8 5.4 56 56 A V E -F 77 0A 15 -11,-2.4 21,-0.2 -2,-0.3 3,-0.1 -0.860 19.5-175.7 -92.9 101.9 -21.7 8.3 4.0 57 57 A L E + 0 0 95 19,-2.0 2,-0.3 -2,-0.9 20,-0.2 0.796 69.7 4.3 -71.1 -31.2 -23.4 9.3 0.7 58 58 A D E -F 76 0A 42 18,-1.3 18,-2.3 -3,-0.1 2,-0.3 -0.984 58.6-173.9-151.6 147.4 -20.5 11.5 -0.3 59 59 A A E -F 75 0A 32 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.940 5.2-173.0-141.7 121.6 -17.0 12.3 1.0 60 60 A C E -F 74 0A 41 14,-2.7 14,-2.7 -2,-0.3 2,-0.8 -0.966 12.6-153.6-121.1 113.2 -14.8 15.0 -0.7 61 61 A A E -F 73 0A 58 -2,-0.5 12,-0.3 12,-0.3 2,-0.1 -0.760 27.4-129.9 -84.0 109.1 -11.3 15.3 0.6 62 62 A L E + 0 0 35 10,-3.0 8,-2.3 -2,-0.8 9,-0.6 -0.408 32.8 170.6 -72.7 137.4 -10.4 19.0 -0.1 63 63 A R E -F 69 0A 126 6,-0.2 6,-0.2 7,-0.2 2,-0.1 -0.968 26.6-125.2-137.1 151.5 -7.1 19.9 -1.9 64 64 A D > - 0 0 21 4,-2.1 3,-2.2 -2,-0.3 4,-0.3 -0.281 42.4 -86.1 -90.3-174.7 -6.0 23.3 -3.3 65 65 A L T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.567 127.5 63.4 -74.0 -5.7 -4.8 24.0 -6.9 66 66 A T T 3 S- 0 0 93 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.277 118.4-114.3 -89.1 9.8 -1.3 22.9 -6.0 67 67 A D < + 0 0 115 -3,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.911 69.7 145.9 57.9 42.1 -2.8 19.5 -5.3 68 68 A T - 0 0 19 -4,-0.3 -4,-2.1 62,-0.0 -1,-0.2 -0.922 56.2 -97.5-112.3 139.2 -2.0 19.8 -1.6 69 69 A N E -gF 132 63A 4 62,-0.7 64,-2.2 -2,-0.4 -6,-0.2 -0.229 27.3-175.4 -44.3 127.4 -4.0 18.5 1.3 70 70 A L E - 0 0 7 -8,-2.3 -7,-0.2 2,-0.2 -1,-0.1 0.405 36.5-134.0 -99.7 -9.8 -6.3 21.1 3.0 71 71 A E E + 0 0 3 -9,-0.6 -32,-2.1 1,-0.2 2,-0.5 0.419 68.1 117.0 73.4 2.0 -7.2 18.4 5.7 72 72 A I E -D 38 0A 0 -10,-0.3 -10,-3.0 -34,-0.2 2,-0.4 -0.881 43.2-171.4 -99.2 128.6 -10.9 19.2 5.4 73 73 A T E -DF 37 61A 9 -36,-2.2 -36,-1.8 -2,-0.5 2,-0.5 -0.990 11.2-151.6-117.0 127.3 -13.3 16.4 4.2 74 74 A I E -DF 36 60A 27 -14,-2.7 -14,-2.7 -2,-0.4 2,-0.3 -0.878 17.0-169.1 -99.6 130.6 -16.8 17.3 3.5 75 75 A V E -DF 35 59A 1 -40,-2.8 -40,-2.2 -2,-0.5 2,-0.4 -0.877 17.6-149.6-121.6 149.6 -19.3 14.5 4.0 76 76 A K E -DF 34 58A 113 -18,-2.3 -19,-2.0 -2,-0.3 -18,-1.3 -0.982 25.9-154.7-114.8 132.3 -23.0 14.1 3.1 77 77 A L E - 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