==== 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 3ZVB . 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) . 9550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 71.3 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 . 77 41.0 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 . 24 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.4 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 4 0 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 0 106 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-165.8 -26.1 -30.5 -1.7 2 2 A P - 0 0 30 0, 0.0 2,-1.9 0, 0.0 3,-0.3 -0.443 360.0-103.2 -73.8 155.8 -23.3 -29.3 -4.0 3 3 A G > + 0 0 10 96,-0.5 4,-2.2 1,-0.2 5,-0.1 -0.553 55.0 158.1 -85.7 80.8 -21.0 -32.0 -5.6 4 4 A F H > S+ 0 0 86 -2,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.848 72.2 54.4 -72.6 -37.8 -18.0 -31.4 -3.4 5 5 A D H > S+ 0 0 138 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.938 110.5 47.4 -59.4 -44.4 -16.6 -34.8 -4.0 6 6 A F H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.948 111.2 49.2 -60.8 -50.0 -16.8 -34.2 -7.7 7 7 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.833 110.6 52.8 -57.8 -33.3 -15.1 -30.8 -7.6 8 8 A Q H X S+ 0 0 80 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.865 105.0 51.7 -76.6 -38.5 -12.4 -32.2 -5.5 9 9 A A H X S+ 0 0 46 -4,-1.9 4,-1.9 2,-0.2 5,-0.3 0.882 110.6 50.7 -63.1 -38.0 -11.5 -35.0 -7.9 10 10 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.943 111.1 49.7 -62.2 -44.2 -11.3 -32.4 -10.6 11 11 A M H X S+ 0 0 3 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.886 114.0 42.7 -64.7 -41.7 -8.9 -30.3 -8.5 12 12 A K H < S+ 0 0 118 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.960 124.3 30.7 -74.8 -47.6 -6.6 -33.0 -7.6 13 13 A K H < S+ 0 0 143 -4,-1.9 71,-0.6 -5,-0.2 -1,-0.2 0.651 130.7 31.0 -84.8 -10.8 -6.2 -34.8 -10.8 14 14 A N H < S+ 0 0 0 -4,-1.8 15,-2.7 -5,-0.3 2,-0.3 0.202 92.5 82.9-140.6 19.5 -6.6 -31.8 -13.2 15 15 A T E < +A 28 0A 10 -4,-1.0 2,-0.3 -3,-0.3 13,-0.2 -0.946 39.2 175.8-126.3 160.2 -5.5 -28.4 -11.9 16 16 A V E -A 27 0A 6 11,-1.8 11,-2.5 -2,-0.3 2,-0.5 -0.932 36.2-106.8-144.1 161.8 -2.3 -26.6 -11.7 17 17 A V E -A 26 0A 11 -2,-0.3 33,-2.8 9,-0.2 2,-0.4 -0.863 37.8-167.1 -93.0 127.7 -1.1 -23.1 -10.6 18 18 A A E -AB 25 49A 0 7,-2.4 7,-2.1 -2,-0.5 2,-0.4 -0.957 4.7-167.4-121.4 133.4 -0.2 -21.0 -13.7 19 19 A R E +AB 24 48A 79 29,-2.0 29,-2.6 -2,-0.4 5,-0.2 -0.987 12.7 164.9-127.9 124.9 1.7 -17.8 -13.5 20 20 A T E > -A 23 0A 19 3,-2.4 3,-1.6 -2,-0.4 23,-0.1 -0.560 62.0 -79.1-117.8-173.5 2.0 -15.3 -16.4 21 21 A E T 3 S+ 0 0 155 21,-0.4 3,-0.1 1,-0.3 21,-0.1 0.716 131.1 60.4 -61.2 -17.8 3.1 -11.7 -16.3 22 22 A K T 3 S- 0 0 119 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.651 116.4 -99.9 -87.6 -16.2 -0.4 -11.0 -15.1 23 23 A G E < -A 20 0A 29 -3,-1.6 -3,-2.4 18,-0.2 -1,-0.3 -0.866 56.4 -31.1 126.3-167.7 -0.2 -13.1 -11.9 24 24 A E E +A 19 0A 52 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.651 52.5 178.6 -96.2 151.5 -1.3 -16.5 -10.8 25 25 A F E -A 18 0A 26 -7,-2.1 -7,-2.4 -2,-0.2 2,-0.2 -0.992 36.3-106.7-151.6 140.0 -4.4 -18.4 -12.0 26 26 A T E -A 17 0A 1 121,-1.8 2,-0.5 -2,-0.3 -9,-0.2 -0.554 41.1-156.1 -62.4 133.0 -6.1 -21.6 -11.4 27 27 A M E -A 16 0A 0 -11,-2.5 -11,-1.8 78,-0.3 2,-0.6 -0.967 6.3-152.5-122.1 127.0 -5.5 -23.8 -14.5 28 28 A L E -AC 15 36A 1 8,-1.0 8,-2.5 -2,-0.5 2,-0.5 -0.829 7.4-148.7 -96.5 123.2 -7.6 -26.6 -15.6 29 29 A G E - C 0 35A 0 -15,-2.7 6,-0.3 -2,-0.6 3,-0.1 -0.814 15.5-177.7 -89.6 130.7 -6.0 -29.4 -17.6 30 30 A V E - 0 0 0 4,-2.3 56,-2.9 -2,-0.5 57,-0.5 0.878 56.8 -25.9 -98.6 -45.8 -8.5 -30.9 -20.0 31 31 A H E > S- C 0 34A 19 3,-1.4 3,-3.3 54,-0.2 -1,-0.4 -0.981 107.7 -14.3-164.6 158.1 -6.7 -33.8 -21.8 32 32 A D B 3 S-N 83 0B 61 51,-0.8 51,-3.7 -2,-0.3 44,-0.0 -0.175 127.1 -31.5 46.0-120.7 -3.2 -34.8 -22.8 33 33 A R T 3 S+ 0 0 79 49,-0.2 44,-2.1 2,-0.1 2,-0.4 -0.012 111.4 115.8-113.0 26.8 -1.1 -31.6 -22.4 34 34 A V E < +CD 31 76A 22 -3,-3.3 -4,-2.3 42,-0.2 -3,-1.4 -0.825 36.5 161.8-101.8 132.5 -3.9 -29.3 -23.2 35 35 A A E -CD 29 75A 0 40,-2.8 40,-2.7 -2,-0.4 2,-0.3 -0.827 27.2-126.1-138.2 174.8 -5.2 -26.9 -20.6 36 36 A V E +CD 28 74A 1 -8,-2.5 -8,-1.0 -2,-0.3 38,-0.2 -0.933 23.6 166.4-128.6 158.5 -7.3 -23.7 -20.3 37 37 A I E - D 0 73A 0 36,-1.4 36,-2.1 -2,-0.3 2,-0.2 -0.958 47.5 -81.4-159.3 154.8 -6.7 -20.4 -18.7 38 38 A P E > - D 0 72A 3 0, 0.0 3,-2.4 0, 0.0 34,-0.2 -0.477 36.1-126.0 -69.4 139.3 -8.6 -17.0 -19.0 39 39 A T G > S+ 0 0 29 32,-1.8 3,-1.8 1,-0.3 4,-0.3 0.786 107.1 65.3 -48.5 -34.6 -7.6 -14.9 -22.0 40 40 A H G 3 S+ 0 0 89 1,-0.3 -1,-0.3 31,-0.3 32,-0.0 0.543 77.4 81.9 -78.8 -2.6 -6.8 -12.0 -19.8 41 41 A A G < S- 0 0 0 -3,-2.4 -19,-0.6 -20,-0.0 -1,-0.3 0.638 96.6-138.8 -61.2 -16.8 -3.9 -13.9 -18.2 42 42 A S < - 0 0 53 -3,-1.8 -21,-0.4 -4,-0.2 -2,-0.1 0.947 18.8-147.8 55.4 59.6 -2.0 -12.7 -21.4 43 43 A V - 0 0 31 -4,-0.3 -1,-0.1 -23,-0.1 4,-0.1 -0.344 16.7-171.4 -63.3 134.8 -0.1 -16.0 -22.1 44 44 A G - 0 0 49 2,-0.6 -1,-0.1 -2,-0.1 3,-0.1 0.161 48.5 -74.4-101.4-143.5 3.3 -15.7 -23.8 45 45 A E S S+ 0 0 160 1,-0.1 11,-2.4 10,-0.1 2,-0.3 0.485 119.0 37.6-105.8 -4.5 5.5 -18.4 -25.2 46 46 A T E - E 0 55A 56 9,-0.3 -2,-0.6 31,-0.0 2,-0.3 -0.981 67.3-179.1-136.0 157.0 6.5 -19.6 -21.7 47 47 A I E - E 0 54A 2 7,-2.6 7,-2.7 -2,-0.3 2,-0.5 -0.971 31.0-110.8-145.3 151.9 4.4 -19.9 -18.5 48 48 A Y E -BE 19 53A 86 -29,-2.6 -29,-2.0 -2,-0.3 2,-0.5 -0.798 28.9-170.9 -87.6 127.4 5.0 -21.0 -14.9 49 49 A I E > S-BE 18 52A 2 3,-2.2 3,-2.5 -2,-0.5 -31,-0.2 -0.975 78.2 -21.7-119.6 114.3 3.3 -24.2 -14.1 50 50 A N T 3 S- 0 0 67 -33,-2.8 -1,-0.2 -2,-0.5 -32,-0.1 0.922 127.1 -56.8 48.1 47.3 3.5 -25.0 -10.3 51 51 A D T 3 S+ 0 0 96 -34,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.350 116.0 117.5 68.3 -2.6 6.5 -22.7 -10.4 52 52 A V E < S-E 49 0A 99 -3,-2.5 -3,-2.2 1,-0.0 -1,-0.2 -0.840 71.1-120.5 -95.9 116.9 8.3 -24.8 -13.0 53 53 A E E -E 48 0A 113 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.300 37.6-169.3 -61.2 136.6 8.8 -22.6 -16.2 54 54 A T E -E 47 0A 10 -7,-2.7 -7,-2.6 25,-0.0 2,-0.3 -0.975 24.5-117.7-140.0 136.5 7.1 -24.3 -19.2 55 55 A K E -E 46 0A 124 23,-0.4 23,-2.5 -2,-0.4 2,-0.9 -0.619 21.8-143.1 -71.8 131.2 7.1 -23.8 -23.0 56 56 A V E -F 77 0A 15 -11,-2.4 21,-0.2 -2,-0.3 3,-0.1 -0.887 17.3-174.3 -93.1 101.4 3.7 -22.9 -24.3 57 57 A L E + 0 0 93 19,-1.3 2,-0.3 -2,-0.9 20,-0.2 0.789 68.1 2.9 -69.1 -27.2 3.7 -24.8 -27.6 58 58 A D E -F 76 0A 46 18,-1.3 18,-2.2 -3,-0.1 2,-0.3 -0.983 57.2-171.1-158.1 148.0 0.3 -23.3 -28.7 59 59 A A E -F 75 0A 33 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.915 4.2-171.5-145.6 113.7 -2.2 -20.8 -27.5 60 60 A C E -F 74 0A 40 14,-2.6 14,-2.4 -2,-0.3 2,-1.1 -0.946 11.7-154.6-109.5 117.9 -5.6 -20.3 -29.1 61 61 A A E -F 73 0A 56 -2,-0.6 12,-0.2 12,-0.2 -2,-0.0 -0.790 26.9-133.7 -87.9 96.1 -7.6 -17.3 -27.8 62 62 A L E + 0 0 35 10,-1.7 8,-2.1 -2,-1.1 9,-0.5 -0.264 32.0 171.1 -57.8 132.9 -11.2 -18.4 -28.6 63 63 A R E -F 69 0A 125 6,-0.2 6,-0.2 7,-0.2 2,-0.1 -0.912 27.8-120.3-128.2 157.8 -13.5 -15.8 -30.2 64 64 A D > - 0 0 20 4,-2.5 3,-2.7 -2,-0.3 4,-0.2 -0.371 37.9 -88.2 -92.4 179.9 -17.0 -16.6 -31.6 65 65 A L T 3 S+ 0 0 189 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 0.663 127.8 60.9 -66.9 -12.7 -18.3 -16.1 -35.2 66 66 A T T 3 S- 0 0 90 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.287 120.0-112.9 -86.2 9.2 -19.2 -12.5 -34.4 67 67 A D S < S+ 0 0 114 -3,-2.7 2,-0.4 1,-0.2 -2,-0.2 0.819 70.7 143.5 60.3 35.3 -15.5 -12.0 -33.7 68 68 A T - 0 0 20 -4,-0.2 -4,-2.5 1,-0.1 -1,-0.2 -0.842 56.5 -98.1-107.9 144.5 -16.2 -11.5 -30.0 69 69 A N E -gF 132 63A 3 62,-0.9 64,-2.1 -2,-0.4 -6,-0.2 -0.277 25.6-173.4 -54.5 132.4 -14.0 -12.6 -27.1 70 70 A L E - 0 0 7 -8,-2.1 -7,-0.2 2,-0.2 -1,-0.1 0.487 35.0-133.7-100.3 -8.2 -15.0 -15.8 -25.3 71 71 A E E + 0 0 2 -9,-0.5 -32,-1.8 1,-0.2 2,-0.4 0.463 68.0 116.5 68.8 5.4 -12.3 -15.3 -22.6 72 72 A I E -D 38 0A 1 -10,-0.3 -10,-1.7 -34,-0.2 2,-0.4 -0.860 44.8-168.1 -96.4 138.0 -11.1 -18.9 -22.9 73 73 A T E -DF 37 61A 7 -36,-2.1 -36,-1.4 -2,-0.4 2,-0.5 -0.990 9.9-150.9-125.2 123.1 -7.5 -19.6 -24.0 74 74 A I E -DF 36 60A 27 -14,-2.4 -14,-2.6 -2,-0.4 2,-0.4 -0.809 18.9-168.4 -92.9 129.1 -6.6 -23.2 -24.9 75 75 A V E -DF 35 59A 1 -40,-2.7 -40,-2.8 -2,-0.5 2,-0.5 -0.926 18.0-153.1-123.3 142.9 -2.9 -23.9 -24.3 76 76 A K E -DF 34 58A 111 -18,-2.2 -19,-1.3 -2,-0.4 -18,-1.3 -0.962 25.8-157.9-108.5 132.3 -0.7 -26.8 -25.3 77 77 A L E - 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