==== 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 3ZV9 . 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) . 9661.0 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 . 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 . 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 . 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 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 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.8 -13.0 37.6 26.5 2 2 A P - 0 0 34 0, 0.0 2,-2.0 0, 0.0 3,-0.3 -0.114 360.0-111.2 -55.2 146.0 -13.5 34.3 24.4 3 3 A G > + 0 0 10 96,-0.6 4,-2.2 1,-0.2 5,-0.1 -0.517 54.1 157.0 -78.6 72.5 -16.9 33.8 22.8 4 4 A F H > + 0 0 86 -2,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.885 69.9 54.0 -65.7 -42.6 -17.9 30.8 25.1 5 5 A D H > S+ 0 0 134 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.923 110.0 46.8 -58.7 -45.0 -21.7 31.3 24.5 6 6 A F H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.950 112.0 51.1 -61.8 -49.3 -21.2 31.2 20.7 7 7 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.875 110.6 49.4 -54.1 -41.2 -19.0 28.1 21.0 8 8 A Q H X S+ 0 0 98 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.900 107.7 52.3 -71.0 -42.0 -21.6 26.4 23.2 9 9 A A H X S+ 0 0 46 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.939 112.5 47.3 -57.3 -43.6 -24.5 27.2 20.8 10 10 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.938 113.1 47.8 -62.1 -48.8 -22.5 25.6 17.9 11 11 A M H X S+ 0 0 5 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.915 112.3 50.0 -59.0 -42.7 -21.6 22.5 20.0 12 12 A K H < S+ 0 0 163 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 125.3 22.4 -66.5 -49.0 -25.2 21.9 21.1 13 13 A K H < S+ 0 0 121 -4,-2.1 71,-0.5 -5,-0.2 -1,-0.2 0.675 129.8 39.4 -90.9 -20.0 -26.9 22.1 17.7 14 14 A N H < S+ 0 0 0 -4,-2.4 15,-3.2 -5,-0.3 2,-0.4 0.305 93.5 77.3-126.3 13.5 -24.1 21.3 15.3 15 15 A T E < +A 28 0A 12 -4,-1.1 2,-0.3 13,-0.2 13,-0.2 -0.944 40.5 172.4-125.2 151.1 -21.8 18.5 16.6 16 16 A V E -A 27 0A 7 11,-2.1 11,-2.4 -2,-0.4 2,-0.6 -0.909 39.1-103.6-138.1 167.5 -22.0 14.8 16.9 17 17 A V E -A 26 0A 12 -2,-0.3 33,-2.9 9,-0.2 2,-0.4 -0.854 38.4-167.4 -92.4 127.4 -19.5 12.1 17.9 18 18 A A E -AB 25 49A 0 7,-2.6 7,-2.3 -2,-0.6 2,-0.4 -0.909 3.7-166.9-115.9 143.6 -18.2 10.3 14.8 19 19 A R E +AB 24 48A 78 29,-2.2 29,-2.2 -2,-0.4 5,-0.2 -0.991 11.7 166.8-136.0 128.3 -16.3 7.1 15.0 20 20 A T E > -A 23 0A 20 3,-2.4 3,-1.9 -2,-0.4 23,-0.1 -0.574 61.0 -78.0-119.9-176.4 -14.3 5.5 12.2 21 21 A E T 3 S+ 0 0 154 21,-0.4 21,-0.1 1,-0.3 3,-0.1 0.695 130.9 59.4 -58.0 -16.7 -11.7 2.7 12.1 22 22 A K T 3 S- 0 0 121 19,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.542 117.1-100.9 -92.6 -7.3 -9.3 5.4 13.4 23 23 A G E < -A 20 0A 30 -3,-1.9 -3,-2.4 18,-0.2 -1,-0.3 -0.822 58.1 -28.9 122.8-164.3 -11.2 6.2 16.6 24 24 A E E +A 19 0A 56 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.659 51.1 179.0 -96.0 150.2 -13.6 9.0 17.7 25 25 A F E -A 18 0A 21 -7,-2.3 -7,-2.6 -2,-0.3 2,-0.2 -0.981 36.3-109.0-144.6 144.1 -13.6 12.6 16.4 26 26 A T E -A 17 0A 1 121,-1.8 2,-0.5 -2,-0.3 -9,-0.2 -0.574 40.9-152.3 -66.0 139.9 -15.7 15.6 17.1 27 27 A M E -A 16 0A 0 -11,-2.4 -11,-2.1 78,-0.3 2,-0.6 -0.978 6.8-151.2-127.8 123.9 -17.9 16.1 14.0 28 28 A L E -AC 15 36A 1 8,-0.9 8,-2.2 -2,-0.5 2,-0.4 -0.818 8.4-149.9 -92.6 122.8 -19.3 19.4 12.9 29 29 A G E - C 0 35A 0 -15,-3.2 6,-0.3 -2,-0.6 3,-0.1 -0.761 15.3-178.6 -87.4 135.0 -22.5 19.3 10.9 30 30 A V E - 0 0 0 4,-2.8 56,-2.8 1,-0.4 57,-0.4 0.836 55.9 -26.3-107.4 -44.7 -22.7 22.3 8.5 31 31 A H E > S- C 0 34A 18 3,-1.4 3,-3.3 54,-0.2 -1,-0.4 -0.963 107.2 -14.1-167.5 155.8 -26.1 22.1 6.7 32 32 A D B 3 S-N 83 0B 63 51,-0.7 51,-3.3 -2,-0.3 44,-0.0 -0.108 127.6 -31.6 45.9-121.7 -28.7 19.4 5.7 33 33 A R T 3 S+ 0 0 80 49,-0.2 44,-2.6 -3,-0.1 2,-0.5 -0.040 110.2 116.8-117.4 34.7 -26.9 16.1 6.1 34 34 A V E < +CD 31 76A 23 -3,-3.3 -4,-2.8 42,-0.2 -3,-1.4 -0.875 34.8 161.1-106.8 128.8 -23.4 17.4 5.3 35 35 A A E -CD 29 75A 0 40,-2.4 40,-2.9 -2,-0.5 2,-0.3 -0.788 27.0-126.3-136.6 175.2 -20.7 17.4 8.0 36 36 A V E +CD 28 74A 1 -8,-2.2 -8,-0.9 -2,-0.2 38,-0.2 -0.939 22.3 170.3-127.7 156.0 -16.9 17.6 8.2 37 37 A I E - D 0 73A 0 36,-1.9 36,-2.1 -2,-0.3 -10,-0.1 -0.980 45.5 -85.0-157.4 150.2 -14.1 15.5 9.7 38 38 A P E > - D 0 72A 2 0, 0.0 3,-1.9 0, 0.0 34,-0.2 -0.304 37.5-124.5 -60.2 145.1 -10.3 15.5 9.5 39 39 A T G > S+ 0 0 34 32,-1.8 3,-2.1 1,-0.3 4,-0.2 0.841 107.1 69.2 -64.3 -32.6 -9.1 13.5 6.5 40 40 A H G 3 S+ 0 0 84 1,-0.3 -1,-0.3 31,-0.2 32,-0.0 0.625 79.8 78.9 -58.6 -12.8 -6.9 11.3 8.8 41 41 A A G < S- 0 0 0 -3,-1.9 -19,-0.6 -20,-0.0 -1,-0.3 0.722 93.6-142.2 -64.3 -21.7 -10.2 9.8 10.1 42 42 A S < - 0 0 49 -3,-2.1 -21,-0.4 -4,-0.2 -2,-0.1 0.970 15.0-151.1 56.8 60.3 -10.2 7.7 6.9 43 43 A V - 0 0 28 -4,-0.2 -1,-0.1 -23,-0.1 4,-0.1 -0.402 19.2-178.7 -60.1 134.9 -14.0 7.8 6.4 44 44 A G - 0 0 45 2,-0.6 -1,-0.1 -2,-0.1 3,-0.1 0.035 50.6 -61.5-109.0-137.4 -15.2 4.6 4.5 45 45 A E S S+ 0 0 173 1,-0.1 11,-2.7 -2,-0.1 2,-0.3 0.568 120.1 30.8 -91.6 -18.3 -18.8 3.6 3.4 46 46 A T E + E 0 55A 66 9,-0.3 -2,-0.6 31,-0.0 2,-0.3 -0.971 64.7 178.4-137.4 158.4 -20.2 3.6 6.9 47 47 A I E - E 0 54A 3 7,-2.3 7,-2.2 -2,-0.3 2,-0.5 -0.982 30.7-111.6-149.9 153.1 -19.5 5.5 10.1 48 48 A Y E -BE 19 53A 79 -29,-2.2 -29,-2.2 -2,-0.3 2,-0.5 -0.838 25.8-171.8 -93.7 131.1 -20.9 5.7 13.6 49 49 A I E > S-BE 18 52A 1 3,-2.4 3,-2.0 -2,-0.5 -31,-0.2 -0.985 81.6 -17.4-120.7 113.8 -22.7 8.9 14.5 50 50 A N T 3 S- 0 0 75 -33,-2.9 -1,-0.2 -2,-0.5 -32,-0.1 0.919 129.3 -56.9 49.6 44.6 -23.5 9.0 18.3 51 51 A D T 3 S+ 0 0 100 -34,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.458 112.9 123.4 64.8 5.6 -22.9 5.2 18.2 52 52 A V E < -E 49 0A 94 -3,-2.0 -3,-2.4 1,-0.0 -1,-0.2 -0.871 68.3-121.6 -94.2 119.6 -25.5 4.7 15.5 53 53 A E E -E 48 0A 127 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.395 39.6-173.0 -58.6 132.1 -24.1 3.0 12.3 54 54 A T E -E 47 0A 10 -7,-2.2 -7,-2.3 -2,-0.1 2,-0.3 -0.995 25.7-117.5-141.7 131.8 -24.8 5.4 9.4 55 55 A K E -E 46 0A 119 23,-0.5 23,-2.8 -2,-0.4 2,-0.9 -0.507 22.5-139.5 -70.0 129.7 -24.3 5.1 5.7 56 56 A V E -F 77 0A 15 -11,-2.7 21,-0.2 -2,-0.3 3,-0.1 -0.834 19.8-176.5 -88.6 108.7 -21.8 7.6 4.2 57 57 A L E + 0 0 91 19,-2.3 2,-0.3 -2,-0.9 20,-0.2 0.802 68.9 2.6 -78.1 -30.6 -23.4 8.7 1.0 58 58 A D E -F 76 0A 44 18,-1.3 18,-2.7 2,-0.0 2,-0.3 -0.975 56.8-173.5-153.6 143.0 -20.5 10.9 -0.1 59 59 A A E -F 75 0A 30 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.928 6.6-172.6-137.3 115.6 -17.0 11.7 1.3 60 60 A C E -F 74 0A 36 14,-3.0 14,-2.8 -2,-0.3 2,-0.9 -0.945 11.4-156.4-115.0 111.4 -14.8 14.4 -0.4 61 61 A A E -F 73 0A 57 -2,-0.6 12,-0.3 12,-0.3 2,-0.1 -0.771 28.7-132.1 -84.0 103.8 -11.3 14.6 0.8 62 62 A L E + 0 0 35 10,-3.2 8,-2.3 -2,-0.9 9,-0.5 -0.340 31.7 172.2 -72.2 137.7 -10.5 18.2 -0.1 63 63 A R E -F 69 0A 126 6,-0.2 6,-0.2 7,-0.2 2,-0.1 -0.955 26.0-123.6-135.0 153.8 -7.2 19.2 -1.9 64 64 A D > - 0 0 22 4,-2.1 3,-2.0 -2,-0.3 4,-0.2 -0.245 42.0 -85.2 -88.1-175.3 -6.2 22.5 -3.4 65 65 A L T 3 S+ 0 0 182 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.557 127.6 62.6 -74.8 -5.2 -5.1 23.2 -7.0 66 66 A T T 3 S- 0 0 90 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.307 118.5-114.7 -89.6 6.0 -1.5 22.2 -6.2 67 67 A D < + 0 0 112 -3,-2.0 2,-0.4 1,-0.2 -2,-0.2 0.896 69.4 144.9 61.8 40.5 -3.0 18.8 -5.5 68 68 A T - 0 0 21 -4,-0.2 -4,-2.1 62,-0.0 -1,-0.2 -0.927 56.8 -97.5-113.7 137.1 -2.1 19.1 -1.8 69 69 A N E -gF 132 63A 6 62,-0.7 64,-2.2 -2,-0.4 -6,-0.2 -0.223 27.0-174.2 -43.8 127.1 -4.1 17.8 1.2 70 70 A L E - 0 0 8 -8,-2.3 -7,-0.2 2,-0.2 -1,-0.1 0.405 36.4-131.8 -98.9 -8.4 -6.3 20.4 2.9 71 71 A E E + 0 0 2 -9,-0.5 -32,-1.8 1,-0.2 2,-0.5 0.437 68.9 118.5 71.4 1.9 -7.2 17.8 5.7 72 72 A I E -D 38 0A 0 -10,-0.3 -10,-3.2 -34,-0.2 2,-0.5 -0.869 42.6-171.6 -95.7 128.6 -11.0 18.6 5.4 73 73 A T E -DF 37 61A 8 -36,-2.1 -36,-1.9 -2,-0.5 2,-0.5 -0.991 10.9-152.5-116.9 122.2 -13.3 15.7 4.4 74 74 A I E -DF 36 60A 27 -14,-2.8 -14,-3.0 -2,-0.5 2,-0.4 -0.857 16.6-167.3 -94.0 130.1 -16.8 16.6 3.7 75 75 A V E -DF 35 59A 1 -40,-2.9 -40,-2.4 -2,-0.5 2,-0.5 -0.889 17.7-152.1-123.1 145.2 -19.3 13.8 4.3 76 76 A K E -DF 34 58A 110 -18,-2.7 -19,-2.3 -2,-0.4 -18,-1.3 -0.979 24.2-154.7-115.5 131.1 -22.9 13.4 3.4 77 77 A L E - 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