==== 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 3ZVF . 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) . 9699.0 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 . 73 38.8 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 . 25 13.3 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 . 0 2 1 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 0 111 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.8 -39.1 -7.5 -26.6 2 2 A P - 0 0 34 0, 0.0 2,-2.2 0, 0.0 3,-0.3 -0.525 360.0-108.1 -72.6 148.4 -36.6 -5.5 -24.4 3 3 A G > + 0 0 10 96,-0.6 4,-2.2 1,-0.2 5,-0.2 -0.455 56.4 155.2 -81.0 73.6 -37.9 -2.3 -22.7 4 4 A F H > + 0 0 87 -2,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.840 67.8 55.6 -70.5 -38.7 -35.9 0.1 -24.9 5 5 A D H > S+ 0 0 135 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.962 111.3 45.3 -60.2 -48.4 -38.1 3.0 -24.5 6 6 A F H > S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.892 110.1 52.6 -58.8 -48.0 -37.7 2.8 -20.8 7 7 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.831 110.7 50.7 -58.6 -30.8 -33.9 2.3 -20.9 8 8 A Q H X S+ 0 0 97 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.886 104.3 54.1 -80.4 -40.5 -33.8 5.4 -23.0 9 9 A A H X S+ 0 0 39 -4,-2.1 4,-2.0 2,-0.2 5,-0.3 0.855 111.7 48.3 -52.9 -39.1 -35.9 7.6 -20.6 10 10 A I H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.931 112.5 47.3 -72.0 -42.3 -33.4 6.6 -17.9 11 11 A M H X S+ 0 0 4 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.910 113.0 49.7 -65.5 -37.6 -30.4 7.4 -20.0 12 12 A K H < S+ 0 0 175 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.953 125.3 22.0 -67.1 -55.2 -31.8 10.7 -21.1 13 13 A K H < S+ 0 0 123 -4,-2.0 71,-0.5 1,-0.2 -1,-0.2 0.633 128.8 38.9 -90.7 -16.6 -32.8 12.2 -17.7 14 14 A N H < S+ 0 0 0 -4,-2.2 15,-2.8 -5,-0.3 2,-0.3 0.200 92.7 80.7-129.0 19.5 -30.6 10.3 -15.2 15 15 A T E < +A 28 0A 11 -4,-0.8 2,-0.3 13,-0.2 13,-0.2 -0.953 39.2 171.8-127.8 155.6 -27.1 9.7 -16.6 16 16 A V E -A 27 0A 7 11,-1.7 11,-2.3 -2,-0.3 2,-0.5 -0.898 38.7-104.5-145.0 164.8 -23.9 11.7 -16.9 17 17 A V E -A 26 0A 10 -2,-0.3 33,-2.4 9,-0.2 2,-0.4 -0.847 37.4-164.7 -95.9 126.0 -20.3 10.8 -17.9 18 18 A A E -AB 25 49A 0 7,-2.6 7,-2.5 -2,-0.5 2,-0.4 -0.964 5.7-165.6-118.8 138.0 -18.1 10.6 -14.9 19 19 A R E +AB 24 48A 79 29,-1.9 29,-2.1 -2,-0.4 5,-0.2 -0.989 13.2 166.9-124.9 123.5 -14.2 10.6 -15.1 20 20 A T E > -A 23 0A 19 3,-2.3 3,-1.1 -2,-0.4 23,-0.1 -0.497 61.4 -80.1-115.4-176.0 -12.0 9.5 -12.1 21 21 A E T 3 S+ 0 0 156 21,-0.5 21,-0.1 1,-0.2 3,-0.1 0.784 131.8 57.9 -55.6 -23.5 -8.3 8.8 -12.0 22 22 A K T 3 S- 0 0 126 19,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.565 116.6 -98.1 -90.1 -11.8 -9.4 5.3 -13.4 23 23 A G E < -A 20 0A 29 -3,-1.1 -3,-2.3 18,-0.2 -1,-0.3 -0.891 57.9 -30.0 131.2-160.4 -11.2 6.5 -16.6 24 24 A E E -A 19 0A 55 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.688 51.8-179.6 -99.4 151.0 -14.7 7.2 -17.7 25 25 A F E -A 18 0A 23 -7,-2.5 -7,-2.6 -2,-0.3 123,-0.2 -0.992 35.4-110.0-147.5 139.1 -17.9 5.6 -16.5 26 26 A T E -A 17 0A 1 121,-1.3 2,-0.5 -2,-0.3 -9,-0.2 -0.502 41.0-154.0 -58.4 133.3 -21.6 5.8 -17.1 27 27 A M E -A 16 0A 0 -11,-2.3 -11,-1.7 78,-0.3 2,-0.6 -0.968 7.2-151.7-125.6 121.9 -23.0 7.4 -14.0 28 28 A L E -AC 15 36A 1 8,-0.8 8,-2.2 -2,-0.5 2,-0.4 -0.809 9.5-150.6 -90.0 117.3 -26.6 6.8 -12.9 29 29 A G E - C 0 35A 0 -15,-2.8 6,-0.3 -2,-0.6 55,-0.1 -0.781 14.4-175.6 -85.4 135.1 -28.0 9.7 -10.9 30 30 A V - 0 0 0 4,-2.8 56,-2.5 -2,-0.4 57,-0.4 0.883 54.6 -32.1-106.8 -45.3 -30.6 8.5 -8.4 31 31 A H S S- 0 0 23 3,-1.3 54,-0.1 54,-0.2 4,-0.1 0.648 108.9 -6.3-153.3 -36.6 -32.2 11.4 -6.6 32 32 A D S S- 0 0 56 2,-0.3 51,-2.2 50,-0.2 44,-0.0 0.217 125.1 -35.1-128.4 -89.3 -31.0 14.7 -5.6 33 33 A R S S+ 0 0 73 49,-0.2 44,-3.2 2,-0.1 2,-0.5 -0.217 110.8 116.3-116.1 36.2 -27.4 15.2 -6.1 34 34 A V E + D 0 76A 21 42,-0.2 -4,-2.8 49,-0.1 -3,-1.3 -0.910 35.4 160.2-111.9 130.6 -26.8 11.5 -5.3 35 35 A A E -CD 29 75A 0 40,-2.6 40,-2.8 -2,-0.5 2,-0.3 -0.799 28.7-124.0-135.5 175.0 -25.5 9.1 -7.9 36 36 A V E +CD 28 74A 1 -8,-2.2 -8,-0.8 -2,-0.2 38,-0.2 -0.928 23.4 170.6-123.9 155.3 -23.7 5.7 -8.1 37 37 A I E - D 0 73A 0 36,-1.7 36,-1.9 -2,-0.3 -10,-0.1 -0.971 45.6 -86.1-155.2 148.5 -20.5 4.5 -9.7 38 38 A P E > - D 0 72A 4 0, 0.0 3,-2.3 0, 0.0 34,-0.2 -0.341 36.6-126.2 -58.6 135.3 -18.6 1.2 -9.4 39 39 A T G > S+ 0 0 27 32,-1.3 3,-2.1 1,-0.3 4,-0.3 0.850 106.8 67.3 -49.0 -38.3 -16.3 1.2 -6.4 40 40 A H G 3 S+ 0 0 98 1,-0.3 -1,-0.3 31,-0.2 32,-0.0 0.594 77.5 82.2 -69.8 -2.5 -13.3 0.3 -8.6 41 41 A A G < S- 0 0 0 -3,-2.3 -19,-0.8 -20,-0.0 -1,-0.3 0.682 95.9-136.4 -64.5 -18.3 -13.6 3.7 -10.2 42 42 A S < - 0 0 46 -3,-2.1 -21,-0.5 -4,-0.2 2,-0.2 0.976 20.6-153.7 58.5 64.7 -11.6 5.0 -7.2 43 43 A V + 0 0 31 -4,-0.3 -1,-0.1 -23,-0.1 4,-0.1 -0.481 17.5 178.5 -73.6 134.9 -13.5 8.2 -6.4 44 44 A G - 0 0 41 2,-0.7 -1,-0.1 -2,-0.2 3,-0.0 0.083 52.1 -61.4-110.4-137.3 -11.6 10.9 -4.6 45 45 A E S S+ 0 0 168 1,-0.1 11,-2.5 -2,-0.1 2,-0.3 0.595 119.2 35.0 -96.8 -20.3 -12.5 14.4 -3.4 46 46 A T E - E 0 55A 61 9,-0.2 -2,-0.7 11,-0.0 2,-0.3 -0.956 64.1-175.5-134.8 156.2 -13.3 15.7 -6.9 47 47 A I E - E 0 54A 0 7,-2.5 7,-2.2 -2,-0.3 2,-0.5 -0.992 27.9-118.2-149.3 142.3 -14.8 14.1 -10.0 48 48 A Y E -BE 19 53A 81 -29,-2.1 -29,-1.9 -2,-0.3 2,-0.5 -0.765 26.5-170.8 -84.9 127.2 -15.4 15.2 -13.6 49 49 A I E > S-BE 18 52A 1 3,-2.4 3,-1.6 -2,-0.5 -31,-0.2 -0.960 78.9 -19.1-123.8 111.0 -19.1 15.2 -14.5 50 50 A N T 3 S- 0 0 69 -33,-2.4 -1,-0.2 -2,-0.5 -32,-0.1 0.923 130.2 -54.8 50.7 46.1 -19.7 15.8 -18.3 51 51 A D T 3 S+ 0 0 99 -34,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.427 114.3 122.4 69.4 3.5 -16.1 17.2 -18.2 52 52 A V E < -E 49 0A 93 -3,-1.6 -3,-2.4 1,-0.0 -1,-0.2 -0.849 67.9-120.8 -97.2 123.8 -16.9 19.7 -15.4 53 53 A E E -E 48 0A 120 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.387 39.8-174.6 -63.6 128.6 -14.8 19.4 -12.3 54 54 A T E -E 47 0A 10 -7,-2.2 -7,-2.5 -2,-0.1 2,-0.4 -0.977 27.1-117.2-135.0 136.2 -17.2 18.7 -9.4 55 55 A K E -E 46 0A 125 23,-0.4 23,-2.7 -2,-0.4 2,-0.9 -0.625 22.2-139.5 -72.2 128.7 -16.7 18.4 -5.7 56 56 A V E -F 77 0A 17 -11,-2.5 21,-0.2 -2,-0.4 3,-0.1 -0.841 18.8-173.8 -87.0 102.5 -17.6 15.0 -4.3 57 57 A L E - 0 0 87 19,-1.6 2,-0.3 -2,-0.9 20,-0.2 0.705 68.2 -0.3 -71.6 -26.1 -19.3 15.9 -1.0 58 58 A D E -F 76 0A 43 18,-1.3 18,-2.7 2,-0.0 2,-0.4 -0.911 57.8-169.4-163.7 140.2 -19.6 12.2 0.2 59 59 A A E -F 75 0A 32 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.964 4.8-170.3-135.8 118.8 -18.7 8.8 -1.2 60 60 A C E -F 74 0A 39 14,-3.1 14,-2.3 -2,-0.4 2,-1.0 -0.913 11.4-155.1-112.9 108.6 -19.9 5.5 0.4 61 61 A A E -F 73 0A 55 -2,-0.6 12,-0.3 12,-0.3 2,-0.1 -0.667 28.9-131.6 -71.4 99.8 -18.2 2.3 -0.8 62 62 A L E + 0 0 31 10,-2.8 8,-2.3 -2,-1.0 9,-0.5 -0.342 33.4 170.3 -67.0 129.2 -21.0 -0.3 0.0 63 63 A R E -F 69 0A 125 6,-0.2 6,-0.2 7,-0.2 2,-0.1 -0.883 26.2-126.8-125.6 157.4 -20.0 -3.4 1.8 64 64 A D > - 0 0 23 4,-2.1 3,-2.3 -2,-0.3 4,-0.1 -0.371 40.7 -83.1 -95.4-177.6 -22.4 -6.0 3.3 65 65 A L T 3 S+ 0 0 182 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.648 129.4 59.2 -68.1 -12.0 -22.6 -7.4 6.9 66 66 A T T 3 S- 0 0 91 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.299 118.7-115.5 -87.0 6.5 -19.8 -10.0 6.1 67 67 A D < + 0 0 110 -3,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.885 68.1 146.2 59.5 38.9 -17.7 -6.9 5.2 68 68 A T - 0 0 21 -4,-0.1 -4,-2.1 1,-0.0 -1,-0.2 -0.888 55.5 -96.3-106.5 142.4 -17.5 -7.9 1.6 69 69 A N E -gF 132 63A 2 62,-0.7 64,-2.3 -2,-0.4 -6,-0.2 -0.231 26.8-173.1 -45.6 132.4 -17.5 -5.5 -1.3 70 70 A L E - 0 0 6 -8,-2.3 -7,-0.2 2,-0.2 -1,-0.1 0.450 36.4-131.7-105.9 -8.0 -20.8 -4.8 -3.1 71 71 A E E + 0 0 3 -9,-0.5 -32,-1.3 1,-0.2 2,-0.4 0.539 69.7 116.5 65.7 9.8 -19.0 -2.7 -5.8 72 72 A I E -D 38 0A 0 -10,-0.4 -10,-2.8 -34,-0.2 2,-0.5 -0.908 43.2-171.9-102.5 136.5 -21.4 0.2 -5.5 73 73 A T E -DF 37 61A 7 -36,-1.9 -36,-1.7 -2,-0.4 2,-0.5 -0.994 12.1-151.1-122.6 124.9 -20.2 3.6 -4.3 74 74 A I E -DF 36 60A 25 -14,-2.3 -14,-3.1 -2,-0.5 2,-0.4 -0.829 17.5-166.4 -95.7 131.4 -22.9 6.1 -3.6 75 75 A V E -DF 35 59A 0 -40,-2.8 -40,-2.6 -2,-0.5 2,-0.5 -0.917 16.6-151.9-122.1 143.5 -21.7 9.7 -4.2 76 76 A K E -DF 34 58A 106 -18,-2.7 -19,-1.6 -2,-0.4 -18,-1.3 -0.982 26.9-154.9-109.5 130.2 -23.2 12.9 -3.2 77 77 A L E - F 0 56A 2 -44,-3.2 2,-1.4 -2,-0.5 -21,-0.2 -0.797 23.0-127.7-117.2 147.6 -22.2 15.7 -5.6 78 78 A D + 0 0 95 -23,-2.7 -23,-0.4 -2,-0.3 2,-0.3 -0.635 61.8 130.1 -87.0 83.4 -21.8 19.5 -5.5 79 79 A R - 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