==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-AUG-04 1W6H . COMPND 2 MOLECULE: PLASMEPSIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR J.LINDBERG,P.-O.JOHANSSON,A.ROSENQUIST,I.KVARNSTROEM, . 650 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 33.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 77 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 7.4 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+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 4 0 2 2 2 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 . 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 . 4 8 8 8 4 8 0 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 . 0 0 2 0 0 0 2 0 0 0 0 0 0 2 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 0 122 0, 0.0 4,-0.0 0, 0.0 173,-0.0 0.000 360.0 360.0 360.0 142.9 17.4 -23.8 25.9 2 2 A S + 0 0 116 2,-0.1 2,-0.3 170,-0.0 0, 0.0 0.172 360.0 67.6-105.4 12.7 13.9 -23.9 27.3 3 3 A N S S- 0 0 41 146,-0.0 2,-0.6 169,-0.0 168,-0.2 -0.894 88.3-100.8-128.0 165.8 13.2 -20.2 26.4 4 4 A D E -A 170 0A 9 166,-1.8 166,-2.9 -2,-0.3 2,-0.4 -0.743 42.7-172.1 -82.1 119.7 12.8 -18.0 23.4 5 5 A N E -A 169 0A 38 -2,-0.6 2,-0.5 164,-0.2 164,-0.2 -0.959 11.3-169.4-121.1 126.6 16.0 -16.1 22.7 6 6 A I E -A 168 0A 15 162,-3.2 162,-2.7 -2,-0.4 14,-0.0 -0.967 25.7-122.9-122.1 123.4 16.5 -13.3 20.2 7 7 A E E -A 167 0A 109 -2,-0.5 12,-0.6 160,-0.2 2,-0.4 -0.326 20.0-149.4 -67.9 140.8 20.0 -12.1 19.5 8 8 A L E -AB 166 18A 0 158,-1.8 158,-2.0 149,-0.2 2,-0.3 -0.920 5.8-150.5-112.4 135.9 20.9 -8.5 20.0 9 9 A V E - B 0 17A 85 8,-2.1 8,-2.1 -2,-0.4 2,-0.2 -0.833 14.1-129.6-109.2 145.0 23.5 -6.7 17.9 10 10 A D E - B 0 16A 40 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.588 9.4-159.3 -93.5 153.2 25.6 -3.8 19.1 11 11 A F E >> S- B 0 15A 77 4,-2.2 3,-1.5 -2,-0.2 4,-1.5 -0.767 74.4 -49.6-135.0 86.6 26.1 -0.4 17.4 12 12 A Q T 34 S- 0 0 110 -2,-0.3 4,-0.1 1,-0.3 148,-0.0 0.702 98.0 -69.0 58.6 34.6 29.4 1.2 18.8 13 13 A N T 34 S+ 0 0 58 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.776 126.3 87.4 57.4 30.6 28.5 0.7 22.4 14 14 A I T <4 S+ 0 0 34 -3,-1.5 2,-0.3 1,-0.5 -2,-0.2 0.699 93.5 6.3-113.8 -62.2 25.7 3.2 22.2 15 15 A M E < -B 11 0A 27 -4,-1.5 -4,-2.2 285,-0.0 -1,-0.5 -0.818 58.5-152.9-124.1 160.4 22.6 1.4 21.0 16 16 A F E -B 10 0A 3 -2,-0.3 17,-0.4 199,-0.3 2,-0.3 -0.959 9.5-159.6-131.2 157.3 21.6 -2.2 20.3 17 17 A Y E -B 9 0A 15 -8,-2.1 -8,-2.1 -2,-0.3 2,-0.3 -0.864 3.9-162.9-128.3 157.8 19.0 -3.7 17.9 18 18 A G E -BC 8 31A 0 13,-2.2 13,-2.5 -2,-0.3 2,-0.3 -0.996 18.6-126.0-141.7 149.9 17.1 -6.9 17.5 19 19 A D E + C 0 30A 80 -12,-0.6 75,-0.4 -2,-0.3 2,-0.3 -0.646 29.9 161.1 -93.6 142.7 15.2 -8.4 14.7 20 20 A A E - C 0 29A 2 9,-1.8 9,-1.8 -2,-0.3 2,-0.3 -0.947 28.0-124.5-145.8 169.1 11.6 -9.6 14.5 21 21 A E E -DC 92 28A 42 71,-2.4 71,-2.4 -2,-0.3 2,-0.4 -0.761 11.0-159.3-115.7 154.0 9.1 -10.4 11.6 22 22 A V E > +DC 91 27A 0 5,-1.8 5,-1.4 -2,-0.3 69,-0.2 -0.997 57.6 35.1-130.1 139.2 5.7 -9.1 10.8 23 23 A G T > 5S- 0 0 0 67,-3.2 3,-2.5 -2,-0.4 4,-0.1 0.115 90.4 -88.4 100.9 145.0 3.3 -10.9 8.5 24 24 A D T 3 5S+ 0 0 41 1,-0.3 -1,-0.1 2,-0.1 39,-0.1 0.628 128.8 60.3 -66.1 -6.6 2.6 -14.6 7.9 25 25 A N T 3 5S- 0 0 70 -3,-0.1 -1,-0.3 65,-0.1 -2,-0.1 0.242 112.4-122.8 -97.4 9.3 5.4 -14.4 5.2 26 26 A Q T < 5 - 0 0 83 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.922 31.6-167.0 51.3 56.5 7.9 -13.3 8.0 27 27 A Q E < -C 22 0A 25 -5,-1.4 -5,-1.8 -4,-0.1 2,-0.2 -0.623 23.1-124.0 -68.5 127.2 9.0 -10.0 6.5 28 28 A P E +C 21 0A 68 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.542 32.6 176.3 -83.8 143.6 12.1 -9.0 8.5 29 29 A F E -C 20 0A 2 -9,-1.8 -9,-1.8 -2,-0.2 2,-0.5 -0.985 26.9-132.1-137.5 147.4 12.6 -5.8 10.4 30 30 A T E -C 19 0A 26 -2,-0.3 91,-3.1 -11,-0.2 92,-1.8 -0.898 35.7-170.7 -96.4 128.3 15.3 -4.4 12.7 31 31 A F E -Ce 18 122A 2 -13,-2.5 -13,-2.2 -2,-0.5 2,-0.6 -0.874 33.4-126.9-122.7 145.2 13.9 -2.9 15.9 32 32 A I E - e 0 123A 16 90,-2.1 92,-2.9 -2,-0.3 2,-0.8 -0.868 34.3-141.5 -73.3 122.2 14.9 -0.8 18.9 33 33 A L E - e 0 124A 4 -2,-0.6 2,-0.6 -17,-0.4 92,-0.2 -0.849 27.4-172.3 -91.6 113.2 13.6 -3.1 21.7 34 34 A D E > - e 0 125A 10 90,-2.4 92,-2.0 -2,-0.8 3,-1.9 -0.846 33.1-179.5-128.1 97.4 12.2 -0.6 24.1 35 35 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.6 1,-0.3 93,-0.1 0.480 88.0 68.7 -68.4 -2.5 11.0 -1.3 27.6 36 36 A G T 3 S+ 0 0 10 156,-0.1 -1,-0.3 91,-0.1 2,-0.3 0.413 100.7 53.1 -94.1 -0.6 10.3 2.4 27.8 37 37 A S < - 0 0 7 -3,-1.9 90,-2.9 87,-0.1 89,-1.4 -0.844 60.6-155.7-130.7 167.5 7.5 2.1 25.3 38 38 A A + 0 0 6 93,-0.4 2,-0.3 87,-0.3 94,-0.2 0.267 66.1 77.9-134.0 16.0 4.3 -0.1 24.8 39 39 A N - 0 0 4 92,-0.1 86,-1.7 93,-0.1 2,-0.4 -0.866 61.6-139.6-126.9 152.4 3.7 -0.1 21.0 40 40 A L E +F 124 0A 2 61,-0.3 63,-2.5 -2,-0.3 2,-0.3 -0.956 26.6 172.6-107.2 130.5 5.1 -1.9 17.9 41 41 A W E -Fg 123 103A 0 82,-2.3 82,-1.1 -2,-0.4 63,-0.2 -0.999 12.8-177.6-139.3 140.7 5.6 0.0 14.7 42 42 A V E - g 0 104A 0 61,-2.2 63,-2.0 -2,-0.3 80,-0.1 -0.988 38.6-103.0-126.0 147.7 7.2 -0.7 11.3 43 43 A P E - g 0 105A 0 0, 0.0 15,-2.7 0, 0.0 2,-0.2 -0.423 42.3-137.6 -68.3 139.9 7.6 1.7 8.4 44 44 A S B > -o 58 0B 0 61,-2.6 3,-1.9 13,-0.3 15,-0.2 -0.630 20.1-118.6 -99.9 156.0 5.0 0.9 5.6 45 45 A V T 3 S+ 0 0 68 13,-2.0 14,-0.1 1,-0.3 -1,-0.1 0.697 117.1 65.2 -59.0 -21.2 5.3 0.8 1.9 46 46 A K T 3 S+ 0 0 118 12,-0.3 -1,-0.3 59,-0.1 60,-0.1 0.525 74.7 122.0 -83.0 -2.1 2.7 3.6 2.1 47 47 A a < - 0 0 19 -3,-1.9 60,-0.2 58,-0.3 59,-0.1 -0.353 41.5-172.6 -59.3 132.8 5.3 5.8 3.8 48 48 A T + 0 0 125 58,-2.0 -1,-0.1 -2,-0.1 59,-0.1 0.532 49.8 97.8-109.5 -12.0 5.9 9.0 1.8 49 49 A T S > S- 0 0 17 57,-0.8 3,-0.9 1,-0.1 4,-0.3 -0.414 79.3-116.1 -84.9 162.6 8.8 10.6 3.7 50 50 A A G > S+ 0 0 74 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.828 105.8 66.7 -68.4 -37.3 12.5 10.3 2.7 51 51 A G G > S+ 0 0 2 1,-0.3 3,-0.8 2,-0.1 -1,-0.2 0.843 94.1 60.8 -51.2 -34.8 13.6 8.4 5.8 52 52 A a G X S+ 0 0 3 -3,-0.9 3,-1.7 1,-0.2 -1,-0.3 0.635 79.4 87.7 -69.0 -17.9 11.6 5.3 4.8 53 53 A L G < S+ 0 0 148 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.789 95.8 35.2 -63.0 -35.3 13.4 4.8 1.4 54 54 A T G < S+ 0 0 111 -3,-0.8 -1,-0.3 -4,-0.3 2,-0.2 0.320 102.2 98.3 -97.8 9.1 16.3 2.6 2.8 55 55 A K S < S- 0 0 15 -3,-1.7 2,-0.5 -4,-0.1 66,-0.1 -0.511 86.9 -98.7 -94.6 158.6 14.2 0.8 5.4 56 56 A H - 0 0 93 -2,-0.2 2,-0.5 -26,-0.1 -26,-0.1 -0.719 47.5-151.2 -69.4 123.6 12.5 -2.6 5.3 57 57 A L - 0 0 56 -2,-0.5 -13,-0.3 -4,-0.1 2,-0.2 -0.930 7.6-127.6-112.1 120.9 9.0 -1.6 4.4 58 58 A Y B -o 44 0B 0 -15,-2.7 -13,-2.0 -2,-0.5 2,-0.6 -0.417 19.7-165.4 -68.9 130.8 6.0 -3.7 5.5 59 59 A D > - 0 0 40 -2,-0.2 3,-1.8 -15,-0.2 4,-0.1 -0.917 7.5-168.2-125.3 101.5 3.6 -4.7 2.8 60 60 A S G > S+ 0 0 16 -2,-0.6 3,-1.3 1,-0.3 6,-0.3 0.657 82.1 72.6 -62.3 -25.5 0.3 -6.0 4.1 61 61 A S G 3 S+ 0 0 91 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.568 91.6 60.4 -66.9 -8.5 -0.8 -7.3 0.7 62 62 A K G < S+ 0 0 127 -3,-1.8 2,-0.6 1,-0.1 -1,-0.2 0.461 92.5 76.2 -95.7 -1.7 1.9 -10.1 1.2 63 63 A S X - 0 0 10 -3,-1.3 3,-1.7 1,-0.1 -1,-0.1 -0.922 56.1-163.6-119.1 114.9 0.3 -11.6 4.3 64 64 A R T 3 S+ 0 0 215 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.752 95.9 58.9 -57.9 -23.5 -2.8 -13.8 4.3 65 65 A T T 3 S+ 0 0 45 -3,-0.1 -1,-0.3 25,-0.1 -42,-0.1 0.427 77.2 122.0 -89.1 -1.7 -3.0 -13.1 8.1 66 66 A Y < - 0 0 62 -3,-1.7 2,-0.4 -6,-0.3 23,-0.2 -0.348 43.0-165.9 -61.4 146.2 -3.3 -9.3 7.7 67 67 A E B -H 88 0A 115 21,-2.3 21,-1.7 -2,-0.0 -2,-0.1 -0.965 18.3-125.4-143.7 114.0 -6.4 -7.8 9.3 68 68 A K + 0 0 161 -2,-0.4 19,-0.1 19,-0.2 18,-0.0 -0.119 41.8 148.6 -57.1 150.5 -7.4 -4.2 8.4 69 69 A D - 0 0 61 17,-0.5 18,-0.2 2,-0.0 -1,-0.1 0.249 18.0-175.2-142.6 -73.5 -7.9 -1.6 11.0 70 70 A G + 0 0 25 16,-2.3 17,-0.1 1,-0.3 2,-0.1 0.192 22.9 150.3 93.0 -13.2 -7.0 1.9 9.8 71 71 A T - 0 0 82 14,-0.1 15,-2.2 1,-0.1 -1,-0.3 -0.334 51.1-114.6 -56.1 125.2 -7.5 4.1 12.9 72 72 A K E -I 85 0A 191 13,-0.2 2,-0.4 -2,-0.1 13,-0.3 -0.329 39.9-178.0 -68.0 142.8 -5.1 7.0 12.7 73 73 A V E -I 84 0A 13 11,-3.0 11,-2.9 -3,-0.1 2,-0.4 -0.999 23.5-159.4-147.9 137.0 -2.3 7.2 15.3 74 74 A E E -I 83 0A 111 -2,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.978 15.1-153.3-110.4 132.5 0.6 9.4 16.3 75 75 A M E -I 82 0A 10 7,-3.1 7,-1.7 -2,-0.4 2,-0.5 -0.925 12.6-164.9-107.8 111.9 3.4 7.8 18.4 76 76 A N E +I 81 0A 96 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.845 10.3 176.0-106.1 127.9 5.2 10.3 20.6 77 77 A Y E > -I 80 0A 41 3,-3.2 3,-0.7 -2,-0.5 -40,-0.0 -0.653 46.7-100.5-112.0 173.6 8.6 9.6 22.3 78 78 A V T 3 S+ 0 0 105 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 0.947 121.6 28.9 -59.6 -47.1 10.7 12.0 24.3 79 79 A S T 3 S- 0 0 118 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.021 127.6 -0.3-111.8 30.3 13.0 12.7 21.4 80 80 A G E < -I 77 0A 13 -3,-0.7 -3,-3.2 2,-0.0 2,-0.3 -0.905 53.3-130.1 167.1 176.8 10.8 12.2 18.3 81 81 A T E -I 76 0A 38 29,-1.6 2,-0.3 -2,-0.3 29,-0.3 -0.987 12.7-179.8-144.8 144.0 7.5 11.4 16.7 82 82 A V E -I 75 0A 2 -7,-1.7 -7,-3.1 -2,-0.3 2,-0.3 -0.977 13.2-161.9-142.0 150.8 6.2 9.1 13.9 83 83 A S E +IJ 74 107A 27 24,-1.8 23,-2.2 -2,-0.3 24,-1.7 -0.895 28.1 107.4-134.2 164.6 2.6 8.7 12.7 84 84 A G E -IJ 73 105A 8 -11,-2.9 -11,-3.0 -2,-0.3 2,-0.3 -0.908 56.2 -58.3 169.5-140.2 0.4 6.4 10.6 85 85 A F E -IJ 72 104A 30 19,-2.0 19,-3.0 -2,-0.3 -13,-0.2 -0.965 41.8 -99.9-138.9 157.2 -2.4 3.9 11.2 86 86 A F E + J 0 103A 8 -15,-2.2 -16,-2.3 -2,-0.3 -17,-0.5 -0.352 40.2 165.0 -71.2 151.0 -3.2 0.7 13.1 87 87 A S E - J 0 102A 0 15,-2.3 15,-2.4 -18,-0.2 2,-0.4 -0.928 24.9-136.3-152.7 165.8 -3.1 -2.7 11.5 88 88 A K E +HJ 67 101A 78 -21,-1.7 -21,-2.3 -2,-0.3 2,-0.3 -0.999 36.2 133.1-131.6 139.0 -3.1 -6.3 12.8 89 89 A D E - J 0 100A 1 11,-1.9 11,-2.0 -2,-0.4 2,-0.3 -0.974 60.3 -61.5-166.8 168.3 -1.0 -9.2 11.6 90 90 A L E - J 0 99A 30 -2,-0.3 -67,-3.2 9,-0.2 2,-0.5 -0.458 47.0-163.3 -60.5 125.6 1.2 -12.0 12.8 91 91 A V E -DJ 22 98A 0 7,-2.4 7,-1.7 -2,-0.3 2,-0.5 -0.956 2.6-161.0-113.7 130.1 4.2 -10.7 14.7 92 92 A T E -DJ 21 97A 7 -71,-2.4 -71,-2.4 -2,-0.5 2,-0.5 -0.955 11.5-179.3-120.3 121.4 7.0 -13.1 15.3 93 93 A V E > S- J 0 96A 8 3,-2.7 3,-1.7 -2,-0.5 2,-0.5 -0.963 70.7 -42.0-120.0 111.5 9.7 -12.6 18.0 94 94 A G T 3 S- 0 0 35 -2,-0.5 -73,-0.1 -75,-0.4 -88,-0.1 -0.589 124.8 -28.1 63.6-114.7 12.4 -15.4 18.1 95 95 A N T 3 S+ 0 0 129 -2,-0.5 2,-0.4 2,-0.0 -1,-0.2 0.171 121.4 88.9-116.5 16.3 10.3 -18.6 17.5 96 96 A L E < - J 0 93A 29 -3,-1.7 -3,-2.7 2,-0.0 2,-0.3 -0.951 53.0-178.8-116.2 134.5 7.0 -17.4 19.0 97 97 A S E + J 0 92A 34 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.1 -0.830 7.0 170.4-128.7 162.7 4.4 -15.7 17.1 98 98 A L E - 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