==== 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 3ZVA . 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) . 9664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 69.1 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 . 20 10.6 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 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 0 102 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.1 -39.6 -7.5 -26.3 2 2 A P - 0 0 39 0, 0.0 2,-2.2 0, 0.0 3,-0.3 -0.231 360.0-117.6 -57.5 139.0 -36.8 -5.5 -24.6 3 3 A G > + 0 0 9 96,-0.6 4,-2.3 1,-0.2 5,-0.1 -0.466 52.7 155.2 -80.1 70.0 -37.9 -2.3 -22.8 4 4 A F H > + 0 0 86 -2,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.833 69.5 55.0 -63.4 -38.8 -35.9 0.1 -25.0 5 5 A D H > S+ 0 0 132 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.946 109.8 45.6 -61.6 -50.4 -38.2 3.0 -24.4 6 6 A F H > S+ 0 0 28 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.935 113.3 50.8 -56.4 -50.3 -37.9 2.7 -20.6 7 7 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.885 111.4 48.5 -52.7 -44.6 -34.1 2.3 -20.9 8 8 A Q H X S+ 0 0 97 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.890 108.3 52.1 -68.6 -40.8 -33.9 5.4 -23.1 9 9 A A H X S+ 0 0 41 -4,-2.6 4,-1.9 1,-0.2 5,-0.3 0.905 111.8 48.4 -63.5 -37.1 -36.0 7.5 -20.7 10 10 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 112.8 47.6 -65.7 -41.6 -33.7 6.5 -17.8 11 11 A M H X S+ 0 0 6 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.922 112.1 50.2 -65.3 -41.9 -30.6 7.4 -19.9 12 12 A K H < S+ 0 0 169 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.884 124.6 23.8 -63.1 -49.4 -32.0 10.7 -21.0 13 13 A K H < S+ 0 0 112 -4,-1.9 71,-0.5 -5,-0.2 -1,-0.2 0.680 129.6 36.6 -93.6 -20.2 -33.0 12.1 -17.6 14 14 A N H < S+ 0 0 0 -4,-2.2 15,-3.4 -5,-0.3 2,-0.4 0.200 92.3 81.9-130.8 16.3 -30.8 10.1 -15.2 15 15 A T E < +A 28 0A 11 -4,-1.0 2,-0.3 13,-0.2 13,-0.2 -0.961 40.3 174.7-124.2 151.0 -27.2 9.5 -16.5 16 16 A V E -A 27 0A 7 11,-2.0 11,-2.2 -2,-0.4 2,-0.6 -0.899 38.5-106.1-136.9 161.4 -24.1 11.6 -16.7 17 17 A V E -A 26 0A 12 -2,-0.3 33,-2.9 9,-0.2 2,-0.4 -0.850 39.6-166.8 -87.8 124.8 -20.6 10.8 -17.8 18 18 A A E -AB 25 49A 0 7,-2.6 7,-2.9 -2,-0.6 2,-0.4 -0.920 4.8-168.3-114.3 144.3 -18.4 10.5 -14.7 19 19 A R E +AB 24 48A 82 29,-2.0 29,-2.3 -2,-0.4 5,-0.2 -0.994 11.8 164.2-138.6 127.9 -14.6 10.4 -14.9 20 20 A T E > -A 23 0A 19 3,-2.3 3,-1.7 -2,-0.4 23,-0.1 -0.574 61.8 -74.1-122.6-174.7 -12.2 9.5 -12.1 21 21 A E T 3 S+ 0 0 151 21,-0.4 21,-0.1 1,-0.3 3,-0.1 0.733 132.2 56.5 -52.9 -24.5 -8.5 8.6 -12.0 22 22 A K T 3 S- 0 0 128 19,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.552 116.4-106.2 -91.2 -10.2 -9.6 5.2 -13.4 23 23 A G E < -A 20 0A 28 -3,-1.7 -3,-2.3 18,-0.2 -1,-0.3 -0.828 57.9 -17.7 123.0-157.7 -11.3 6.6 -16.5 24 24 A E E +A 19 0A 54 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.648 52.0 177.1 -96.3 144.5 -14.9 7.1 -17.7 25 25 A F E -A 18 0A 23 -7,-2.9 -7,-2.6 -2,-0.3 2,-0.2 -0.989 36.3-111.5-141.1 144.9 -18.0 5.4 -16.3 26 26 A T E -A 17 0A 0 121,-1.8 2,-0.5 -2,-0.3 -9,-0.2 -0.576 40.0-155.1 -63.6 136.4 -21.6 5.6 -17.0 27 27 A M E -A 16 0A 0 -11,-2.2 -11,-2.0 78,-0.3 2,-0.5 -0.973 6.5-151.3-128.3 122.0 -23.2 7.2 -13.9 28 28 A L E -AC 15 36A 1 8,-0.8 8,-2.6 -2,-0.5 2,-0.4 -0.797 8.6-148.8 -89.3 123.6 -26.8 6.7 -12.8 29 29 A G E - C 0 35A 0 -15,-3.4 6,-0.3 -2,-0.5 3,-0.1 -0.782 15.8-178.5 -90.8 134.0 -28.3 9.6 -10.8 30 30 A V E - 0 0 0 4,-2.8 56,-2.7 -2,-0.4 57,-0.4 0.863 55.8 -27.3-105.8 -47.7 -30.9 8.3 -8.4 31 31 A H E > S- C 0 34A 18 3,-1.3 3,-3.1 54,-0.2 -1,-0.4 -0.952 107.8 -13.6-163.3 155.3 -32.5 11.2 -6.6 32 32 A D B 3 S-N 83 0B 64 51,-0.9 51,-3.6 -2,-0.3 44,-0.0 -0.215 127.5 -31.8 52.1-121.8 -31.5 14.8 -5.5 33 33 A R T 3 S+ 0 0 80 49,-0.2 44,-2.4 2,-0.1 2,-0.5 -0.051 110.2 117.1-118.0 31.9 -27.7 14.9 -6.0 34 34 A V E < +CD 31 76A 23 -3,-3.1 -4,-2.8 42,-0.2 -3,-1.3 -0.847 34.8 159.4-104.4 132.3 -27.2 11.3 -5.2 35 35 A A E -CD 29 75A 0 40,-2.5 40,-2.9 -2,-0.5 2,-0.3 -0.842 28.3-124.5-140.8 171.4 -25.8 9.0 -7.9 36 36 A V E +CD 28 74A 1 -8,-2.6 -8,-0.8 -2,-0.3 38,-0.2 -0.904 22.5 169.8-123.4 161.0 -24.0 5.6 -8.1 37 37 A I E - D 0 73A 0 36,-1.7 36,-2.4 -2,-0.3 2,-0.1 -0.965 46.5 -85.7-160.3 148.2 -20.8 4.4 -9.7 38 38 A P E > - D 0 72A 2 0, 0.0 3,-2.2 0, 0.0 34,-0.2 -0.435 38.0-125.1 -62.3 138.8 -18.9 1.1 -9.4 39 39 A T G > S+ 0 0 28 32,-1.9 3,-1.9 1,-0.3 4,-0.3 0.783 106.4 65.2 -55.8 -33.3 -16.6 1.0 -6.4 40 40 A H G 3 S+ 0 0 99 1,-0.3 -1,-0.3 31,-0.3 32,-0.0 0.570 78.3 81.6 -75.5 -0.5 -13.6 0.2 -8.5 41 41 A A G < S- 0 0 0 -3,-2.2 -19,-0.7 -20,-0.0 -1,-0.3 0.657 96.6-139.5 -67.3 -16.1 -13.8 3.6 -10.2 42 42 A S < - 0 0 48 -3,-1.9 -21,-0.4 -4,-0.2 -2,-0.1 0.953 17.6-150.8 59.7 57.7 -12.0 4.6 -7.1 43 43 A V - 0 0 31 -4,-0.3 -1,-0.1 -23,-0.1 4,-0.1 -0.395 16.5-174.4 -64.4 133.4 -13.9 7.9 -6.4 44 44 A G - 0 0 46 2,-0.6 -1,-0.1 -2,-0.1 3,-0.1 0.039 49.0 -67.1-105.4-142.7 -11.9 10.6 -4.6 45 45 A E S S+ 0 0 164 1,-0.1 11,-2.6 10,-0.1 2,-0.3 0.620 119.2 35.4 -97.3 -8.4 -12.9 14.0 -3.3 46 46 A T E + E 0 55A 60 9,-0.3 -2,-0.6 31,-0.0 2,-0.3 -0.968 66.3 179.7-133.9 156.9 -13.5 15.5 -6.8 47 47 A I E - E 0 54A 2 7,-2.9 7,-2.1 -2,-0.3 2,-0.5 -0.988 29.8-113.4-148.3 148.8 -14.9 13.9 -9.9 48 48 A Y E -BE 19 53A 80 -29,-2.3 -29,-2.0 -2,-0.3 2,-0.5 -0.779 25.9-170.7 -87.5 130.6 -15.7 15.1 -13.5 49 49 A I E > S-BE 18 52A 2 3,-2.6 3,-2.2 -2,-0.5 -31,-0.2 -0.975 79.9 -19.0-121.3 114.2 -19.3 15.1 -14.4 50 50 A N T 3 S- 0 0 71 -33,-2.9 -1,-0.2 -2,-0.5 -32,-0.1 0.923 129.5 -55.3 49.0 44.6 -19.9 15.7 -18.2 51 51 A D T 3 S+ 0 0 100 -34,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.481 114.4 122.8 67.2 5.5 -16.3 17.1 -18.1 52 52 A V E < -E 49 0A 94 -3,-2.2 -3,-2.6 2,-0.0 -1,-0.2 -0.876 67.8-121.9 -97.0 119.4 -17.2 19.6 -15.3 53 53 A E E -E 48 0A 116 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.367 39.4-173.6 -60.6 133.3 -15.0 19.2 -12.2 54 54 A T E -E 47 0A 10 -7,-2.1 -7,-2.9 -2,-0.1 2,-0.3 -0.992 25.4-117.3-143.3 131.8 -17.3 18.5 -9.3 55 55 A K E -E 46 0A 122 23,-0.4 23,-2.4 -2,-0.4 2,-0.9 -0.556 20.2-140.6 -68.5 131.6 -16.9 18.1 -5.5 56 56 A V E -F 77 0A 16 -11,-2.6 21,-0.2 -2,-0.3 3,-0.1 -0.854 19.8-177.2 -91.8 104.5 -17.8 14.8 -4.1 57 57 A L E S+ 0 0 91 19,-1.7 2,-0.3 -2,-0.9 20,-0.2 0.782 70.4 3.7 -74.4 -30.7 -19.6 15.7 -0.8 58 58 A D E -F 76 0A 45 18,-1.3 18,-2.5 -3,-0.1 2,-0.3 -0.973 58.5-175.3-152.7 145.4 -20.0 12.1 0.2 59 59 A A E -F 75 0A 31 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.940 6.1-171.4-141.1 120.4 -19.0 8.7 -1.1 60 60 A C E -F 74 0A 39 14,-3.0 14,-2.4 -2,-0.3 2,-1.0 -0.950 12.6-153.3-117.9 113.5 -20.1 5.3 0.5 61 61 A A E -F 73 0A 57 -2,-0.5 12,-0.2 12,-0.2 2,-0.1 -0.736 28.2-131.6 -81.4 102.5 -18.6 2.1 -0.7 62 62 A L E + 0 0 32 10,-2.9 8,-2.1 -2,-1.0 9,-0.5 -0.359 32.7 170.3 -65.4 135.0 -21.3 -0.5 0.0 63 63 A R E -F 69 0A 125 6,-0.2 6,-0.2 7,-0.2 2,-0.1 -0.954 27.1-124.9-135.6 150.3 -20.4 -3.7 1.8 64 64 A D > - 0 0 21 4,-2.3 3,-2.2 -2,-0.3 4,-0.2 -0.313 41.0 -86.0 -90.4-177.5 -22.7 -6.3 3.2 65 65 A L T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.600 127.8 62.0 -69.7 -9.8 -22.8 -7.7 6.9 66 66 A T T 3 S- 0 0 91 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.301 119.2-114.0 -86.4 6.8 -20.1 -10.3 6.0 67 67 A D < + 0 0 110 -3,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.865 69.5 145.4 60.2 38.9 -17.9 -7.3 5.2 68 68 A T - 0 0 22 -4,-0.2 -4,-2.3 1,-0.0 -1,-0.2 -0.896 55.7 -99.1-110.7 135.9 -17.8 -8.2 1.6 69 69 A N E -gF 132 63A 2 62,-0.6 64,-2.3 -2,-0.4 -6,-0.2 -0.217 25.6-174.0 -41.4 127.5 -17.8 -5.8 -1.4 70 70 A L E - 0 0 7 -8,-2.1 -7,-0.2 62,-0.2 -1,-0.1 0.393 37.5-131.9-100.4 -7.9 -21.1 -5.1 -3.1 71 71 A E E + 0 0 4 -9,-0.5 -32,-1.9 1,-0.2 2,-0.5 0.500 68.6 118.4 70.4 4.7 -19.2 -3.0 -5.8 72 72 A I E -D 38 0A 0 -10,-0.3 -10,-2.9 -34,-0.2 2,-0.5 -0.899 42.6-171.1 -98.7 131.8 -21.7 -0.1 -5.5 73 73 A T E -DF 37 61A 8 -36,-2.4 -36,-1.7 -2,-0.5 2,-0.5 -0.986 10.1-153.4-118.0 128.2 -20.5 3.3 -4.3 74 74 A I E -DF 36 60A 27 -14,-2.4 -14,-3.0 -2,-0.5 2,-0.3 -0.864 16.9-170.5 -99.2 132.7 -23.1 5.9 -3.6 75 75 A V E -DF 35 59A 1 -40,-2.9 -40,-2.5 -2,-0.5 2,-0.4 -0.902 18.4-149.5-126.1 150.8 -21.9 9.5 -4.1 76 76 A K E -DF 34 58A 108 -18,-2.5 -19,-1.7 -2,-0.3 -18,-1.3 -0.977 25.4-153.4-116.2 134.4 -23.5 12.9 -3.2 77 77 A L E - 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