==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-05 2BJU . COMPND 2 MOLECULE: PLASMEPSIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR L.PRADE,A.F.JONES,C.BOSS,S.RICHARDS-BILDSTEIN,S.MEYER, . 329 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 33.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.3 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 . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 0 1 2 0 0 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 . 1 0 2 2 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 4 3 5 2 2 2 0 0 0 1 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 1 0 0 0 1 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 S 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.0 9.1 38.3 -7.8 2 2 A S + 0 0 90 1,-0.1 170,-0.1 172,-0.0 169,-0.0 0.007 360.0 110.0 56.9-159.4 5.5 37.7 -6.7 3 3 A N S S- 0 0 45 168,-0.1 2,-0.6 166,-0.1 168,-0.2 0.130 79.2 -77.0 71.4 165.4 3.8 39.5 -3.8 4 4 A D E -A 170 0A 2 166,-2.1 166,-3.1 90,-0.1 2,-0.5 -0.874 49.3-166.5-100.7 117.9 1.1 42.0 -4.1 5 5 A N E -A 169 0A 42 -2,-0.6 2,-0.5 164,-0.2 164,-0.2 -0.948 7.1-169.1-114.5 122.3 2.5 45.4 -5.2 6 6 A I E -A 168 0A 12 162,-3.2 162,-2.7 -2,-0.5 2,-0.1 -0.953 24.4-128.8-110.0 116.0 0.4 48.6 -5.0 7 7 A E E -A 167 0A 108 -2,-0.5 12,-0.5 160,-0.2 2,-0.4 -0.404 18.4-144.6 -71.1 141.3 1.9 51.5 -6.8 8 8 A L E -AB 166 18A 1 158,-2.6 158,-1.3 149,-0.2 2,-0.5 -0.880 5.0-153.3-110.0 135.3 2.2 54.8 -4.9 9 9 A V E - B 0 17A 63 8,-2.7 8,-2.1 -2,-0.4 2,-0.2 -0.938 14.0-135.8-112.3 126.3 1.8 58.3 -6.5 10 10 A D E - B 0 16A 32 -2,-0.5 2,-0.5 6,-0.2 6,-0.2 -0.545 8.8-155.6 -78.7 141.0 3.5 61.3 -4.9 11 11 A F E >> - B 0 15A 65 4,-2.9 3,-2.6 -2,-0.2 4,-1.2 -0.909 69.2 -46.0-117.9 100.3 1.7 64.6 -4.5 12 12 A Q T 34 S- 0 0 117 -2,-0.5 4,-0.1 1,-0.3 -1,-0.0 0.711 98.3 -71.0 59.8 28.5 4.0 67.6 -4.4 13 13 A N T 34 S+ 0 0 27 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.693 125.7 94.3 60.4 19.8 6.5 66.0 -2.0 14 14 A I T <4 S- 0 0 76 -3,-2.6 2,-0.3 1,-0.4 -2,-0.2 0.646 93.8 -14.6-112.6 -29.6 3.7 66.4 0.7 15 15 A M E < -B 11 0A 40 -4,-1.2 -4,-2.9 288,-0.0 -1,-0.4 -0.951 56.6-139.2-158.7 173.0 1.8 63.1 0.6 16 16 A F E -B 10 0A 11 -2,-0.3 17,-0.4 -6,-0.2 2,-0.3 -0.978 15.0-160.3-138.2 160.8 1.4 60.0 -1.4 17 17 A Y E -B 9 0A 63 -8,-2.1 -8,-2.7 -2,-0.3 2,-0.3 -0.900 5.2-161.3-134.3 159.9 -1.6 57.9 -2.3 18 18 A G E -BC 8 31A 0 13,-2.3 13,-3.1 -2,-0.3 2,-0.3 -0.967 22.7-118.0-135.8 158.7 -2.4 54.4 -3.6 19 19 A D E + C 0 30A 75 -12,-0.5 75,-0.4 -2,-0.3 2,-0.3 -0.692 34.0 161.6 -99.7 147.2 -5.5 53.0 -5.2 20 20 A A E - C 0 29A 3 9,-2.0 9,-1.9 -2,-0.3 2,-0.3 -0.964 25.3-129.9-152.7 162.1 -7.8 50.3 -3.9 21 21 A E E -DC 92 28A 45 71,-2.2 71,-2.6 -2,-0.3 2,-0.4 -0.871 8.5-159.1-120.4 153.5 -11.4 49.1 -4.6 22 22 A V E > +DC 91 27A 0 5,-2.1 5,-2.0 -2,-0.3 69,-0.2 -0.989 58.4 31.5-129.6 141.2 -14.4 48.3 -2.5 23 23 A G T > 5S- 0 0 0 67,-2.4 3,-2.0 -2,-0.4 69,-0.1 0.083 89.7 -89.9 93.2 151.0 -17.4 46.1 -3.5 24 24 A D T 3 5S+ 0 0 32 1,-0.3 -1,-0.1 2,-0.1 39,-0.1 0.567 128.1 63.2 -76.2 -3.4 -17.4 43.2 -5.8 25 25 A N T 3 5S- 0 0 76 -3,-0.1 -1,-0.3 65,-0.1 -2,-0.1 0.204 114.5-121.0 -94.4 9.3 -18.1 45.7 -8.6 26 26 A Q T < 5 - 0 0 74 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.898 31.1-162.2 59.1 50.7 -14.6 47.1 -7.8 27 27 A Q E < -C 22 0A 18 -5,-2.0 -5,-2.1 1,-0.1 2,-0.3 -0.518 21.4-127.0 -67.1 124.3 -15.7 50.7 -7.0 28 28 A P E +C 21 0A 79 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.581 34.9 166.6 -85.7 142.2 -12.4 52.7 -7.2 29 29 A F E -C 20 0A 2 -9,-1.9 -9,-2.0 -2,-0.3 2,-0.4 -0.978 31.3-130.2-143.9 156.5 -10.9 55.0 -4.6 30 30 A T E -C 19 0A 17 -2,-0.3 91,-2.5 -11,-0.2 92,-2.0 -0.922 34.9-165.6-105.9 134.3 -7.7 56.8 -3.9 31 31 A F E -Ce 18 122A 1 -13,-3.1 -13,-2.3 -2,-0.4 2,-0.4 -0.944 29.5-129.4-125.6 142.3 -6.3 56.3 -0.3 32 32 A I E - e 0 123A 29 90,-2.0 92,-3.3 -2,-0.4 2,-0.7 -0.744 31.6-142.8 -70.2 132.9 -3.8 57.6 2.1 33 33 A L E - e 0 124A 6 -17,-0.4 2,-0.6 -2,-0.4 92,-0.2 -0.929 26.1-172.0-106.4 107.2 -2.0 54.5 3.2 34 34 A D E > - e 0 125A 23 90,-2.5 92,-2.5 -2,-0.7 3,-1.5 -0.870 32.8-177.1-121.2 105.9 -1.4 55.2 6.9 35 35 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.4 1,-0.3 93,-0.2 0.624 87.6 68.7 -72.0 -8.7 0.7 53.1 9.3 36 36 A G T 3 S+ 0 0 14 156,-0.1 2,-0.3 91,-0.1 -1,-0.3 0.257 102.6 42.7 -92.5 7.1 -0.4 55.6 12.0 37 37 A S < - 0 0 23 -3,-1.5 90,-2.3 87,-0.1 89,-1.0 -0.899 63.5-149.4-144.5 176.9 -4.0 54.5 12.0 38 38 A A + 0 0 10 93,-0.4 2,-0.3 -2,-0.3 98,-0.2 0.176 61.7 77.0-145.4 23.9 -5.9 51.2 11.9 39 39 A N - 0 0 8 93,-0.1 86,-1.8 92,-0.1 2,-0.6 -0.916 68.7-123.3-128.2 159.5 -9.2 51.5 10.1 40 40 A L E -F 124 0A 2 61,-0.3 63,-3.4 -2,-0.3 2,-0.5 -0.927 28.5-164.7 -99.1 122.5 -10.3 51.6 6.6 41 41 A W E +Fg 123 103A 24 82,-3.1 82,-1.2 -2,-0.6 63,-0.2 -0.934 10.2 177.0-116.1 121.4 -12.4 54.8 6.0 42 42 A V E - g 0 104A 0 61,-2.8 63,-3.0 -2,-0.5 2,-0.2 -0.988 29.1-122.5-130.6 126.2 -14.5 55.0 2.8 43 43 A P E - g 0 105A 3 0, 0.0 15,-2.8 0, 0.0 2,-0.2 -0.516 30.5-134.8 -75.0 137.8 -16.8 57.9 1.9 44 44 A S B > -n 58 0B 0 61,-2.6 3,-1.9 13,-0.2 15,-0.2 -0.570 17.3-127.7 -91.8 150.2 -20.4 56.8 1.3 45 45 A V T 3 S+ 0 0 61 13,-2.5 14,-0.1 1,-0.3 -1,-0.1 0.716 114.9 65.1 -58.4 -21.8 -22.9 57.8 -1.4 46 46 A K T 3 S+ 0 0 104 12,-0.4 2,-0.7 59,-0.1 -1,-0.3 0.488 80.3 97.4 -81.8 -2.3 -25.1 58.6 1.6 47 47 A a < + 0 0 2 -3,-1.9 60,-0.1 58,-0.2 59,-0.1 -0.790 44.9 171.3 -86.4 118.6 -22.6 61.3 2.5 48 48 A T + 0 0 112 -2,-0.7 -1,-0.1 58,-0.5 59,-0.1 0.128 30.0 128.4-117.4 18.9 -23.9 64.7 1.3 49 49 A T S > S- 0 0 17 57,-0.4 4,-1.6 1,-0.1 3,-0.1 -0.292 76.1-105.0 -63.5 160.0 -21.4 67.0 2.9 50 50 A A T 4 S+ 0 0 71 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.861 121.4 54.6 -54.1 -38.4 -19.6 69.6 0.7 51 51 A G T >4 S+ 0 0 0 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.920 104.3 52.3 -64.4 -43.7 -16.5 67.5 0.8 52 52 A a G >4 S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.839 94.9 70.0 -66.5 -32.1 -18.1 64.3 -0.3 53 53 A L G 3< S+ 0 0 123 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.724 101.1 48.4 -56.5 -21.6 -19.6 66.0 -3.4 54 54 A T G < S+ 0 0 86 -3,-1.6 -1,-0.3 -4,-0.4 2,-0.2 0.427 105.0 77.1 -97.4 0.1 -16.0 66.2 -4.7 55 55 A K S < S- 0 0 23 -3,-2.1 2,-0.4 -4,-0.2 66,-0.1 -0.589 86.2 -97.8-113.4 163.7 -15.0 62.5 -4.1 56 56 A H - 0 0 105 -2,-0.2 2,-0.3 -26,-0.1 -26,-0.1 -0.722 50.3-152.9 -72.6 131.0 -15.5 58.9 -5.4 57 57 A L - 0 0 48 -2,-0.4 2,-0.5 -15,-0.1 -13,-0.2 -0.842 10.6-124.2-121.4 144.1 -18.2 57.5 -3.2 58 58 A Y B -n 44 0B 0 -15,-2.8 -13,-2.5 -2,-0.3 2,-0.6 -0.779 18.0-167.1 -91.2 126.9 -19.1 53.9 -2.1 59 59 A D > - 0 0 37 -2,-0.5 3,-1.7 -15,-0.2 4,-0.2 -0.910 4.6-169.7-114.4 100.2 -22.6 52.6 -2.9 60 60 A S G > S+ 0 0 12 -2,-0.6 3,-1.5 1,-0.3 6,-0.3 0.771 82.8 68.7 -58.1 -30.6 -23.2 49.3 -1.0 61 61 A S G 3 S+ 0 0 91 1,-0.2 -1,-0.3 3,-0.0 5,-0.0 0.712 95.2 56.7 -61.5 -20.8 -26.4 48.7 -3.0 62 62 A K G < S+ 0 0 129 -3,-1.7 2,-0.5 2,-0.0 -1,-0.2 0.476 93.7 78.3 -93.3 -1.2 -24.2 48.0 -6.1 63 63 A S X - 0 0 9 -3,-1.5 3,-1.0 -4,-0.2 -40,-0.1 -0.928 61.3-158.0-114.0 127.6 -22.1 45.3 -4.5 64 64 A R T 3 S+ 0 0 219 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.705 94.2 56.3 -73.0 -18.8 -23.4 41.7 -4.2 65 65 A T T 3 S+ 0 0 55 2,-0.1 -1,-0.2 25,-0.1 2,-0.2 0.340 74.8 127.1 -99.6 4.8 -20.9 41.0 -1.4 66 66 A Y < - 0 0 61 -3,-1.0 2,-0.5 -6,-0.3 23,-0.2 -0.470 40.3-166.5 -62.4 127.8 -22.0 43.9 0.9 67 67 A E E -H 88 0A 104 21,-3.0 21,-1.9 -2,-0.2 -2,-0.1 -0.972 20.0-128.6-119.8 112.4 -22.8 42.6 4.4 68 68 A K E +H 87 0A 159 -2,-0.5 19,-0.2 19,-0.2 18,-0.0 -0.242 40.5 154.7 -59.5 141.0 -24.7 45.2 6.5 69 69 A D E - 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