==== 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 3ZVE . 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) . 9685.0 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 . 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 . 22 11.7 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 0 106 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.9 -13.3 37.9 26.4 2 2 A P - 0 0 38 0, 0.0 2,-2.0 0, 0.0 3,-0.3 -0.441 360.0-112.2 -71.3 151.6 -13.6 34.7 24.5 3 3 A G > + 0 0 10 96,-0.6 4,-2.2 1,-0.2 5,-0.1 -0.500 53.6 155.2 -85.2 71.1 -17.0 34.0 22.8 4 4 A F H > S+ 0 0 85 -2,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.859 70.2 56.3 -64.8 -37.9 -18.0 31.0 25.0 5 5 A D H > S+ 0 0 136 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.931 109.1 46.3 -62.4 -46.2 -21.7 31.6 24.4 6 6 A F H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.931 112.0 50.7 -60.1 -48.4 -21.3 31.4 20.7 7 7 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.906 109.9 50.9 -54.8 -46.7 -19.1 28.3 20.9 8 8 A Q H X S+ 0 0 98 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.906 108.5 50.9 -59.2 -42.7 -21.8 26.6 23.1 9 9 A A H X S+ 0 0 43 -4,-2.1 4,-2.1 1,-0.2 5,-0.3 0.931 112.1 47.7 -63.6 -40.6 -24.6 27.4 20.6 10 10 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.941 114.7 45.6 -63.4 -44.8 -22.5 25.9 17.8 11 11 A M H X S+ 0 0 6 -4,-2.6 4,-0.9 -5,-0.2 -2,-0.2 0.900 112.0 52.1 -66.3 -36.7 -21.7 22.8 19.9 12 12 A K H < S+ 0 0 172 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.929 125.7 20.8 -66.0 -48.5 -25.3 22.4 21.1 13 13 A K H < S+ 0 0 126 -4,-2.1 71,-0.5 -5,-0.2 -1,-0.2 0.652 128.8 39.8 -98.1 -19.8 -27.0 22.5 17.6 14 14 A N H < S+ 0 0 0 -4,-2.5 15,-3.1 -5,-0.3 2,-0.4 0.169 92.1 81.1-128.4 18.8 -24.2 21.6 15.2 15 15 A T E < +A 28 0A 11 -4,-0.9 2,-0.3 13,-0.2 13,-0.2 -0.977 40.0 173.1-128.0 150.3 -21.9 18.9 16.5 16 16 A V E -A 27 0A 8 11,-2.1 11,-2.3 -2,-0.4 2,-0.7 -0.895 39.4-103.8-135.0 166.4 -22.1 15.1 16.7 17 17 A V E -A 26 0A 10 -2,-0.3 33,-2.8 9,-0.2 2,-0.4 -0.845 38.5-164.6 -92.9 121.4 -19.6 12.4 17.8 18 18 A A E -AB 25 49A 0 7,-3.0 7,-2.7 -2,-0.7 2,-0.4 -0.873 4.7-168.2-104.9 143.7 -18.2 10.7 14.7 19 19 A R E +AB 24 48A 80 29,-2.3 29,-2.5 -2,-0.4 5,-0.2 -0.984 12.6 163.8-135.8 124.0 -16.4 7.4 14.9 20 20 A T E > -A 23 0A 20 3,-2.4 3,-1.8 -2,-0.4 23,-0.1 -0.528 60.8 -77.3-117.6-173.8 -14.3 5.9 12.1 21 21 A E T 3 S+ 0 0 155 21,-0.4 21,-0.1 1,-0.3 3,-0.1 0.734 131.2 56.5 -57.1 -23.3 -11.7 3.1 12.0 22 22 A K T 3 S- 0 0 128 19,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.458 117.6-101.4 -92.4 -2.3 -9.3 5.7 13.3 23 23 A G E < -A 20 0A 29 -3,-1.8 -3,-2.4 18,-0.1 -1,-0.3 -0.794 58.5 -23.1 119.5-162.3 -11.3 6.6 16.4 24 24 A E E +A 19 0A 54 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.695 51.5 179.5 -96.3 146.9 -13.6 9.3 17.6 25 25 A F E -A 18 0A 22 -7,-2.7 -7,-3.0 -2,-0.3 123,-0.2 -0.995 35.2-112.9-141.7 141.4 -13.8 12.9 16.3 26 26 A T E -A 17 0A 1 121,-1.8 2,-0.5 -2,-0.3 -9,-0.2 -0.544 40.6-153.7 -62.9 136.0 -15.8 15.9 17.1 27 27 A M E -A 16 0A 0 -11,-2.3 -11,-2.1 78,-0.3 2,-0.6 -0.972 7.2-149.1-127.9 122.5 -17.9 16.5 13.9 28 28 A L E -AC 15 36A 1 8,-0.7 8,-2.2 -2,-0.5 2,-0.4 -0.767 9.1-149.2 -88.0 121.8 -19.3 19.8 12.8 29 29 A G E - C 0 35A 0 -15,-3.1 6,-0.3 -2,-0.6 3,-0.1 -0.775 16.1-178.8 -87.2 132.1 -22.6 19.7 10.9 30 30 A V E - 0 0 0 4,-2.9 56,-2.5 -2,-0.4 57,-0.4 0.836 54.6 -28.7-105.6 -43.7 -22.7 22.6 8.4 31 31 A H E > S- C 0 34A 18 3,-1.6 3,-3.4 54,-0.2 -1,-0.4 -0.959 106.4 -11.8-169.0 157.5 -26.0 22.4 6.6 32 32 A D B 3 S-N 83 0B 66 51,-0.8 51,-3.6 -2,-0.3 44,-0.0 -0.190 127.9 -32.1 46.7-121.0 -28.7 19.9 5.5 33 33 A R T 3 S+ 0 0 78 49,-0.2 44,-2.5 -3,-0.1 2,-0.4 -0.052 110.9 117.4-117.1 32.5 -26.9 16.5 6.0 34 34 A V E < +CD 31 76A 23 -3,-3.4 -4,-2.9 42,-0.2 -3,-1.6 -0.872 33.8 159.0-107.4 133.4 -23.5 17.8 5.3 35 35 A A E -CD 29 75A 0 40,-2.1 40,-2.9 -2,-0.4 2,-0.3 -0.798 28.5-123.0-140.7 173.9 -20.7 17.8 7.9 36 36 A V E +CD 28 74A 1 -8,-2.2 -8,-0.7 -2,-0.2 38,-0.2 -0.927 22.6 171.6-126.8 158.9 -16.9 17.9 8.1 37 37 A I E - D 0 73A 0 36,-1.8 36,-2.3 -2,-0.3 -10,-0.1 -0.970 45.3 -87.1-157.5 147.6 -14.2 15.7 9.5 38 38 A P E > - D 0 72A 2 0, 0.0 3,-2.2 0, 0.0 34,-0.2 -0.350 35.7-127.5 -61.1 139.6 -10.4 15.7 9.3 39 39 A T G > S+ 0 0 30 32,-1.9 3,-2.1 1,-0.3 4,-0.3 0.842 106.9 65.1 -55.8 -37.4 -9.2 13.8 6.2 40 40 A H G 3 S+ 0 0 81 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.533 80.3 81.2 -66.9 -3.6 -6.8 11.7 8.4 41 41 A A G < S- 0 0 0 -3,-2.2 -19,-0.7 -20,-0.0 -1,-0.3 0.630 96.9-137.7 -70.0 -15.7 -10.0 10.2 10.1 42 42 A S < - 0 0 48 -3,-2.1 -21,-0.4 -4,-0.2 -2,-0.1 0.943 19.5-154.0 58.6 56.3 -10.1 7.9 7.0 43 43 A V - 0 0 32 -4,-0.3 -1,-0.1 -5,-0.2 4,-0.1 -0.345 14.9-174.1 -63.3 138.1 -13.9 8.1 6.4 44 44 A G - 0 0 45 2,-0.7 -1,-0.1 -2,-0.0 3,-0.0 -0.032 48.3 -68.8-110.4-147.2 -15.2 5.0 4.5 45 45 A E S S+ 0 0 165 -2,-0.1 11,-2.3 1,-0.1 2,-0.3 0.581 119.4 36.6 -93.7 -6.5 -18.7 4.2 3.2 46 46 A T E - E 0 55A 58 9,-0.3 -2,-0.7 31,-0.0 2,-0.3 -0.972 67.2-180.0-134.8 157.0 -20.2 4.0 6.7 47 47 A I E - E 0 54A 2 7,-2.6 7,-2.4 -2,-0.3 2,-0.5 -0.989 30.3-112.7-148.2 150.1 -19.5 5.9 9.9 48 48 A Y E -BE 19 53A 81 -29,-2.5 -29,-2.3 -2,-0.3 2,-0.5 -0.775 28.0-172.6 -87.7 127.7 -20.8 6.0 13.5 49 49 A I E > S-BE 18 52A 2 3,-2.3 3,-1.6 -2,-0.5 -31,-0.2 -0.975 79.7 -19.0-119.7 112.9 -22.7 9.1 14.4 50 50 A N T 3 S- 0 0 69 -33,-2.8 -1,-0.1 -2,-0.5 -32,-0.1 0.932 130.1 -55.1 49.5 45.9 -23.6 9.3 18.1 51 51 A D T 3 S+ 0 0 98 -34,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.473 114.5 119.7 66.8 10.8 -22.9 5.5 18.1 52 52 A V E < -E 49 0A 93 -3,-1.6 -3,-2.3 -5,-0.0 -1,-0.2 -0.914 69.9-120.0-105.3 119.8 -25.4 4.9 15.3 53 53 A E E -E 48 0A 117 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.367 40.0-174.4 -59.2 131.6 -24.0 3.3 12.1 54 54 A T E -E 47 0A 10 -7,-2.4 -7,-2.6 -2,-0.1 2,-0.3 -0.989 26.2-115.9-137.0 135.1 -24.7 5.8 9.2 55 55 A K E -E 46 0A 124 23,-0.5 23,-2.5 -2,-0.4 2,-0.8 -0.588 20.3-139.9 -71.3 135.7 -24.2 5.6 5.5 56 56 A V E -F 77 0A 15 -11,-2.3 21,-0.2 -2,-0.3 3,-0.1 -0.863 19.0-174.2 -91.1 102.2 -21.7 8.1 4.1 57 57 A L E + 0 0 93 19,-2.0 2,-0.3 -2,-0.8 20,-0.2 0.807 68.9 0.5 -72.8 -29.6 -23.4 9.1 0.8 58 58 A D E -F 76 0A 45 18,-1.3 18,-2.1 -3,-0.1 2,-0.3 -0.989 58.5-170.7-153.7 152.7 -20.5 11.2 -0.3 59 59 A A E -F 75 0A 32 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.933 4.4-171.9-146.7 123.1 -17.1 12.1 1.0 60 60 A C E -F 74 0A 41 14,-2.5 14,-2.6 -2,-0.3 2,-0.8 -0.961 11.8-154.2-122.5 112.6 -14.9 14.8 -0.7 61 61 A A E -F 73 0A 58 -2,-0.5 12,-0.2 12,-0.2 2,-0.1 -0.753 28.4-130.6 -85.0 107.6 -11.3 15.1 0.6 62 62 A L E + 0 0 34 10,-3.1 8,-2.3 -2,-0.8 9,-0.5 -0.386 33.0 170.2 -74.2 139.4 -10.4 18.7 -0.1 63 63 A R E -F 69 0A 128 6,-0.2 6,-0.2 7,-0.2 2,-0.1 -0.979 26.2-125.7-138.2 150.6 -7.2 19.6 -1.9 64 64 A D > - 0 0 20 4,-2.1 3,-2.2 -2,-0.3 4,-0.3 -0.226 42.5 -85.0 -89.1-175.5 -6.1 23.0 -3.4 65 65 A L T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.563 127.5 63.0 -73.7 -6.0 -4.9 23.7 -6.9 66 66 A T T 3 S- 0 0 92 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.316 118.1-114.5 -86.7 6.3 -1.4 22.7 -6.1 67 67 A D < + 0 0 114 -3,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.908 69.7 145.5 57.7 43.9 -3.0 19.2 -5.4 68 68 A T - 0 0 19 -4,-0.3 -4,-2.1 62,-0.0 -1,-0.2 -0.946 56.4 -98.2-114.9 138.0 -2.1 19.5 -1.7 69 69 A N E -gF 132 63A 5 62,-0.7 64,-2.4 -2,-0.4 -6,-0.2 -0.188 26.9-174.5 -45.2 128.8 -4.1 18.2 1.2 70 70 A L E - 0 0 7 -8,-2.3 -7,-0.2 2,-0.2 -1,-0.1 0.383 36.7-132.6-100.9 -8.8 -6.3 20.8 3.0 71 71 A E E + 0 0 2 -9,-0.5 -32,-1.9 1,-0.2 2,-0.5 0.456 68.9 116.4 74.5 -1.0 -7.2 18.2 5.6 72 72 A I E -D 38 0A 0 -10,-0.3 -10,-3.1 -34,-0.2 2,-0.5 -0.902 43.3-171.3 -96.1 130.7 -10.9 18.9 5.4 73 73 A T E -DF 37 61A 7 -36,-2.3 -36,-1.8 -2,-0.5 2,-0.5 -0.980 11.6-151.2-118.0 127.7 -13.2 16.1 4.2 74 74 A I E -DF 36 60A 26 -14,-2.6 -14,-2.5 -2,-0.5 2,-0.3 -0.884 17.6-168.0 -97.0 131.5 -16.8 17.1 3.6 75 75 A V E -DF 35 59A 1 -40,-2.9 -40,-2.1 -2,-0.5 2,-0.4 -0.863 17.9-150.3-121.7 152.2 -19.3 14.2 4.1 76 76 A K E -DF 34 58A 112 -18,-2.1 -19,-2.0 -2,-0.3 -18,-1.3 -0.982 25.2-155.8-119.3 128.8 -22.9 13.8 3.2 77 77 A L E - 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