==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-AUG-02 1ME6 . COMPND 2 MOLECULE: PLASMEPSIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR E.FREIRE,A.G.NEZAMI,L.M.AMZEL . 658 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 473 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 93 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 5 0 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 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 0 0 PARALLEL BRIDGES PER LADDER . 8 10 5 8 2 5 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 0 0 1 2 1 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 S 0 0 135 0, 0.0 4,-0.1 0, 0.0 173,-0.0 0.000 360.0 360.0 360.0 81.1 34.2 51.6 3.8 2 2 A S + 0 0 111 2,-0.1 2,-0.4 169,-0.0 170,-0.0 0.500 360.0 75.9 -83.9 -8.4 33.4 55.3 3.2 3 3 A N S S- 0 0 30 146,-0.1 2,-0.4 147,-0.0 168,-0.2 -0.857 92.0 -98.2-113.1 147.7 36.0 56.4 5.7 4 4 A D B -A 170 0A 7 166,-0.7 166,-2.7 -2,-0.4 2,-0.2 -0.417 43.7-170.4 -62.9 111.6 39.8 56.6 5.5 5 5 A N - 0 0 31 -2,-0.4 2,-0.3 164,-0.2 164,-0.2 -0.524 12.3-164.9-100.4 168.8 41.5 53.7 7.1 6 6 A I - 0 0 12 -2,-0.2 162,-1.7 88,-0.1 2,-0.2 -0.842 22.8-126.6-156.5 112.8 45.1 53.0 8.0 7 7 A E E -B 167 0A 109 -2,-0.3 12,-0.5 160,-0.2 2,-0.3 -0.423 22.3-152.6 -67.2 131.2 46.4 49.5 8.9 8 8 A L E -B 166 0A 0 158,-2.3 158,-2.2 149,-0.2 2,-0.4 -0.812 6.9-150.6-103.9 145.2 48.4 49.4 12.1 9 9 A V E -G 17 0B 83 8,-2.3 8,-1.7 -2,-0.3 2,-0.2 -0.934 20.8-107.2-122.1 142.3 51.1 46.8 12.7 10 10 A D E -G 16 0B 26 -2,-0.4 2,-0.6 151,-0.2 6,-0.2 -0.438 28.3-164.1 -67.2 128.4 52.2 45.2 15.9 11 11 A F E >> S-G 15 0B 33 4,-2.5 4,-2.0 -2,-0.2 3,-1.4 -0.929 73.6 -30.1-117.4 105.3 55.6 46.3 17.2 12 12 A Q T 34 S- 0 0 140 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.846 105.7 -77.5 56.6 35.2 57.2 44.0 19.8 13 13 A N T 34 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.766 129.7 62.5 47.7 33.5 53.7 43.0 21.0 14 14 A I T <4 S+ 0 0 39 -3,-1.4 -2,-0.2 1,-0.4 -1,-0.2 0.417 99.9 31.8-146.5 -50.9 53.3 46.3 22.9 15 15 A M E < -G 11 0B 33 -4,-2.0 -4,-2.5 288,-0.0 -1,-0.4 -0.385 65.9-151.4-105.4-173.6 53.4 49.3 20.6 16 16 A F E -G 10 0B 4 -6,-0.2 17,-0.4 199,-0.2 2,-0.3 -0.984 2.6-152.5-161.2 151.7 52.3 49.8 17.0 17 17 A Y E -G 9 0B 14 -8,-1.7 -8,-2.3 -2,-0.3 2,-0.3 -0.831 3.4-166.1-125.4 164.4 53.0 51.8 13.9 18 18 A G E -H 31 0C 1 13,-1.8 13,-3.8 -2,-0.3 2,-0.2 -0.942 22.0-118.5-142.9 159.7 51.1 53.0 10.8 19 19 A D E +H 30 0C 77 -12,-0.5 75,-0.5 -2,-0.3 2,-0.3 -0.684 32.4 157.9-105.9 158.5 52.4 54.5 7.5 20 20 A A E -H 29 0C 1 9,-1.6 9,-1.5 -2,-0.2 2,-0.2 -0.907 26.1-132.0-169.6 145.2 51.8 57.8 5.9 21 21 A E E -HI 28 92C 30 71,-2.2 71,-2.8 -2,-0.3 2,-0.4 -0.700 5.5-148.2-112.3 163.9 53.8 59.8 3.2 22 22 A V E + I 0 91C 1 5,-2.4 69,-0.2 4,-0.6 3,-0.1 -0.980 59.0 29.7-128.4 139.2 55.1 63.3 2.6 23 23 A G S S- 0 0 1 67,-1.6 69,-0.1 -2,-0.4 66,-0.1 -0.057 93.4 -80.8 97.8 156.3 55.5 65.2 -0.6 24 24 A D S S+ 0 0 38 -2,-0.1 2,-0.2 67,-0.0 -1,-0.1 0.804 123.3 63.4 -63.8 -27.1 53.5 65.0 -3.9 25 25 A N S S- 0 0 49 37,-0.1 -3,-0.0 -3,-0.1 65,-0.0 -0.627 109.8-102.0 -87.9 156.7 55.7 62.0 -4.7 26 26 A Q + 0 0 128 -2,-0.2 -4,-0.6 -5,-0.1 66,-0.2 0.928 46.4 169.7 -45.5 -81.8 55.1 59.2 -2.1 27 27 A Q - 0 0 20 -6,-0.2 -5,-2.4 1,-0.1 2,-0.2 0.992 27.9-154.8 59.1 76.3 58.0 59.3 0.2 28 28 A P E -H 21 0C 37 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.517 17.0-178.9 -83.2 150.9 56.5 56.8 2.8 29 29 A F E -H 20 0C 1 -9,-1.5 -9,-1.6 -2,-0.2 2,-0.5 -0.926 27.1-118.8-142.8 163.9 57.5 56.8 6.5 30 30 A T E -H 19 0C 23 -2,-0.3 91,-2.9 -11,-0.2 92,-1.5 -0.938 38.2-168.1-109.6 124.8 56.5 54.7 9.5 31 31 A F E -Hj 18 122C 2 -13,-3.8 -13,-1.8 -2,-0.5 2,-0.6 -0.685 32.4-131.9-117.7 168.1 54.9 56.5 12.3 32 32 A I E - j 0 123C 15 90,-0.9 92,-2.6 -2,-0.2 2,-1.4 -0.981 31.5-141.2-108.9 114.0 53.8 56.3 15.9 33 33 A L E - j 0 124C 2 -2,-0.6 2,-0.7 -17,-0.4 92,-0.2 -0.722 27.3-170.9 -84.3 96.0 50.3 57.6 15.7 34 34 A D E > - j 0 125C 13 90,-1.6 92,-2.5 -2,-1.4 3,-1.5 -0.807 28.1-178.4 -99.9 100.8 50.4 59.5 19.0 35 35 A T T 3 S+ 0 0 1 -2,-0.7 158,-0.5 1,-0.3 93,-0.1 0.502 84.0 73.0 -71.7 -1.4 47.2 61.0 20.3 36 36 A G T 3 S+ 0 0 11 156,-0.1 2,-0.3 91,-0.1 -1,-0.3 0.282 99.5 42.4 -95.4 7.4 49.5 62.3 23.1 37 37 A S < - 0 0 5 -3,-1.5 90,-2.5 87,-0.1 89,-0.9 -0.961 63.5-148.1-146.2 161.7 51.1 64.9 20.9 38 38 A A + 0 0 6 93,-0.4 2,-0.3 -2,-0.3 98,-0.2 0.032 67.9 87.3-123.3 28.1 49.9 67.5 18.3 39 39 A N - 0 0 4 93,-0.1 86,-0.9 92,-0.1 2,-0.6 -0.974 58.0-148.0-131.0 144.4 52.9 67.7 15.9 40 40 A L B +K 124 0C 3 61,-0.4 63,-2.2 -2,-0.3 2,-0.3 -0.938 26.0 170.0-112.6 116.5 54.0 65.7 12.9 41 41 A W E -l 103 0C 0 82,-1.9 82,-0.4 -2,-0.6 63,-0.2 -0.858 10.6-173.2-124.3 163.8 57.7 65.3 12.3 42 42 A V E -l 104 0C 0 61,-2.3 63,-2.9 -2,-0.3 2,-0.3 -0.993 36.0 -93.1-156.1 144.7 59.8 63.3 10.0 43 43 A P E -l 105 0C 0 0, 0.0 15,-2.9 0, 0.0 2,-0.2 -0.446 43.9-136.5 -63.1 122.7 63.6 62.6 9.5 44 44 A S B > -p 58 0D 0 61,-3.5 3,-2.5 13,-0.3 15,-0.2 -0.503 17.0-124.7 -82.1 150.8 65.1 65.0 6.9 45 45 A V T 3 S+ 0 0 63 13,-2.7 -1,-0.1 1,-0.3 14,-0.1 0.726 116.4 64.3 -62.6 -16.6 67.4 63.8 4.2 46 46 A K T 3 S+ 0 0 96 12,-0.3 -1,-0.3 59,-0.1 60,-0.1 0.401 73.4 126.2 -86.2 -0.7 69.5 66.6 5.9 47 47 A a < - 0 0 19 -3,-2.5 60,-0.2 58,-0.2 59,-0.1 -0.360 34.1-178.9 -62.1 137.5 69.7 64.7 9.3 48 48 A T + 0 0 129 58,-1.9 -1,-0.1 -2,-0.0 59,-0.1 0.516 47.1 107.2-112.8 -12.3 73.3 64.3 10.5 49 49 A T S > S- 0 0 10 57,-1.2 3,-1.5 1,-0.1 4,-0.2 -0.359 75.3-122.7 -71.2 147.2 72.6 62.4 13.6 50 50 A A G > S+ 0 0 78 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.839 104.2 69.6 -59.3 -37.0 73.4 58.7 13.9 51 51 A G G 3 S+ 0 0 1 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.639 91.4 65.1 -59.6 -10.7 69.8 57.6 14.8 52 52 A a G X S+ 0 0 6 -3,-1.5 3,-1.2 1,-0.2 -1,-0.3 0.658 76.4 83.2 -86.5 -17.8 68.9 58.5 11.2 53 53 A L T < S+ 0 0 155 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.813 94.3 45.1 -54.6 -38.5 71.0 55.9 9.4 54 54 A T T 3 S+ 0 0 94 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.551 106.3 88.5 -83.7 -10.2 68.3 53.2 9.9 55 55 A K S < S- 0 0 17 -3,-1.2 2,-0.5 -4,-0.1 66,-0.1 -0.240 80.4-108.7 -93.1 173.8 65.5 55.5 8.9 56 56 A H - 0 0 99 -26,-0.1 2,-0.3 -2,-0.1 -26,-0.1 -0.852 42.2-149.5 -96.0 131.4 63.6 56.7 5.8 57 57 A L - 0 0 60 -2,-0.5 2,-0.5 -15,-0.1 -13,-0.3 -0.793 8.4-121.1-112.4 153.2 64.5 60.3 5.1 58 58 A Y B -p 44 0D 0 -15,-2.9 -13,-2.7 -2,-0.3 2,-0.9 -0.778 15.7-161.7 -95.1 123.1 62.5 63.2 3.6 59 59 A D > - 0 0 35 -2,-0.5 3,-1.5 1,-0.2 -15,-0.0 -0.817 7.0-176.5-105.1 96.8 63.8 64.9 0.5 60 60 A S G > S+ 0 0 5 -2,-0.9 3,-1.6 1,-0.3 6,-0.3 0.880 82.1 61.6 -58.2 -37.0 62.1 68.3 0.2 61 61 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.602 97.8 57.0 -67.2 -11.7 63.9 68.9 -3.1 62 62 A K G < S+ 0 0 115 -3,-1.5 2,-0.5 1,-0.1 -1,-0.3 0.219 93.7 80.3-104.5 16.8 62.2 65.9 -4.8 63 63 A S X - 0 0 9 -3,-1.6 3,-1.6 1,-0.1 -1,-0.1 -0.960 60.7-160.0-128.4 112.8 58.7 67.1 -4.0 64 64 A R T 3 S+ 0 0 226 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.742 96.2 58.4 -58.6 -23.6 57.1 69.8 -6.3 65 65 A T T 3 S+ 0 0 40 25,-0.1 -1,-0.3 -3,-0.1 -42,-0.1 0.619 76.9 118.9 -83.2 -18.1 54.7 70.4 -3.3 66 66 A Y < - 0 0 50 -3,-1.6 23,-0.2 -6,-0.3 2,-0.2 -0.043 43.8-166.3 -47.7 155.8 57.4 71.3 -0.8 67 67 A E B -M 88 0C 86 21,-1.4 21,-0.7 0, 0.0 -1,-0.1 -0.659 19.6-127.4-152.6 90.2 57.2 74.9 0.6 68 68 A K + 0 0 175 -2,-0.2 19,-0.1 19,-0.2 18,-0.0 0.223 41.4 150.3 -35.8 153.1 60.2 76.2 2.6 69 69 A D - 0 0 64 17,-0.4 18,-0.2 18,-0.0 -1,-0.1 0.218 18.0-174.4-149.9 -68.1 59.9 77.6 6.1 70 70 A G + 0 0 34 16,-2.3 2,-0.2 1,-0.2 17,-0.1 0.211 26.9 144.3 82.8 -16.3 63.0 77.0 8.1 71 71 A T - 0 0 75 15,-0.1 15,-2.5 14,-0.1 -1,-0.2 -0.424 54.7-119.0 -60.1 125.0 61.9 78.3 11.6 72 72 A K E -N 85 0C 176 13,-0.3 2,-0.3 -2,-0.2 13,-0.3 -0.266 34.8-171.4 -65.7 153.3 63.7 76.0 13.9 73 73 A V E -N 84 0C 17 11,-1.9 11,-1.4 -3,-0.1 2,-0.4 -0.970 18.8-155.0-144.2 157.3 61.7 73.8 16.3 74 74 A E E -N 83 0C 103 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.943 11.9-154.4-138.4 111.7 62.3 71.5 19.3 75 75 A M E -N 82 0C 12 7,-2.2 7,-1.9 -2,-0.4 2,-0.5 -0.778 15.0-156.5 -88.4 117.3 59.8 68.8 19.9 76 76 A N E +N 81 0C 88 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.861 16.2 172.8-104.1 129.6 59.9 67.8 23.6 77 77 A Y - 0 0 44 3,-2.5 3,-0.2 -2,-0.5 -40,-0.0 -0.932 45.7-116.7-130.1 152.7 58.7 64.4 24.9 78 78 A V S S+ 0 0 136 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.840 121.3 40.0 -54.0 -32.0 58.8 62.7 28.3 79 79 A S S S- 0 0 92 1,-0.2 2,-0.3 32,-0.0 -1,-0.2 0.677 127.8 -27.0 -93.6 -22.1 61.0 60.2 26.5 80 80 A G - 0 0 8 -3,-0.2 -3,-2.5 31,-0.1 2,-0.4 -0.994 51.8-109.3-175.8 179.2 63.1 62.4 24.3 81 81 A T E -N 76 0C 41 29,-1.7 29,-0.4 -2,-0.3 2,-0.4 -0.982 20.5-163.6-132.9 143.4 63.8 65.5 22.3 82 82 A V E -N 75 0C 1 -7,-1.9 -7,-2.2 -2,-0.4 2,-0.3 -0.965 5.3-156.9-129.5 140.6 64.0 66.1 18.5 83 83 A S E +NO 74 107C 38 24,-2.4 23,-2.3 -2,-0.4 24,-1.5 -0.823 36.4 94.3-117.9 157.9 65.4 69.1 16.6 84 84 A G E -NO 73 105C 6 -11,-1.4 -11,-1.9 21,-0.3 2,-0.3 -0.952 59.4 -82.7 164.0-144.6 64.9 70.5 13.1 85 85 A F E -NO 72 104C 35 19,-1.4 19,-3.4 -13,-0.3 -13,-0.3 -0.975 38.7 -91.6-154.5 159.5 62.7 73.1 11.4 86 86 A F E + O 0 103C 6 -15,-2.5 -16,-2.3 -2,-0.3 -17,-0.4 -0.457 44.5 162.5 -76.2 149.1 59.2 73.6 10.0 87 87 A S E - O 0 102C 0 15,-2.2 15,-2.7 -18,-0.2 2,-0.4 -0.924 25.6-132.8-155.1 164.8 58.5 72.9 6.3 88 88 A K E +MO 67 101C 79 -21,-0.7 -21,-1.4 -2,-0.3 2,-0.3 -0.979 34.8 132.0-133.3 145.3 55.3 72.3 4.5 89 89 A D E - O 0 100C 0 11,-2.3 11,-3.1 -2,-0.4 2,-0.7 -0.976 58.8 -57.9-172.7 175.5 54.1 69.7 1.9 90 90 A L E - 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