==== 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 09-APR-02 1LEE . COMPND 2 MOLECULE: PLASMEPSIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR O.A.ASOJO,E.AFONINA,S.V.GULNIK,B.YU,J.W.ERICKSON,R.RANDAD,D. . 331 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 32.9 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 . 49 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 6.6 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 1 0 1 1 1 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 5 2 5 2 2 1 1 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 L 0 0 121 0, 0.0 2,-1.1 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0 110.3 23.5 19.6 42.9 2 0 A G - 0 0 81 1,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.558 360.0 -62.2 -63.7 94.7 23.3 15.8 42.4 3 1 A S S S+ 0 0 87 -2,-1.1 2,-0.3 172,-0.1 172,-0.1 -0.407 77.3 155.9 62.8-100.3 23.7 16.1 38.5 4 2 A S + 0 0 66 -2,-0.4 170,-0.1 1,-0.2 169,-0.1 -0.680 18.3 144.4 78.6-135.7 20.7 18.1 37.0 5 3 A N - 0 0 20 -2,-0.3 2,-0.8 1,-0.1 168,-0.2 0.685 51.8-111.4 74.5 138.8 21.7 19.8 33.7 6 4 A D E -A 172 0A 2 166,-2.1 166,-2.6 90,-0.1 2,-0.5 -0.809 32.9-161.4-100.6 107.1 20.0 20.5 30.5 7 5 A N E -A 171 0A 51 -2,-0.8 2,-0.5 164,-0.2 164,-0.2 -0.866 8.6-171.2 -99.8 128.8 21.3 18.3 27.8 8 6 A I E -A 170 0A 12 162,-2.6 162,-2.7 -2,-0.5 2,-0.2 -0.958 25.7-127.6-113.0 119.1 20.8 19.2 24.0 9 7 A E E -A 169 0A 109 -2,-0.5 12,-0.5 160,-0.2 2,-0.5 -0.506 17.4-140.1 -72.1 139.2 21.9 16.5 21.6 10 8 A L E -AB 168 20A 0 158,-1.7 158,-1.3 149,-0.2 2,-0.5 -0.883 7.7-145.9-104.7 133.0 24.2 17.5 18.8 11 9 A V E - B 0 19A 87 8,-3.3 8,-2.7 -2,-0.5 2,-0.1 -0.848 15.8-141.1-104.1 118.5 23.7 16.1 15.3 12 10 A D E - B 0 18A 42 -2,-0.5 2,-0.4 6,-0.3 6,-0.3 -0.421 9.5-161.0 -76.1 151.3 26.8 15.5 13.3 13 11 A F E >> S- B 0 17A 89 4,-2.5 3,-2.5 -2,-0.1 4,-2.4 -0.860 72.4 -46.1-137.9 100.4 27.2 16.1 9.6 14 12 A Q T 34 S- 0 0 105 -2,-0.4 4,-0.1 1,-0.3 -2,-0.0 0.517 97.4 -73.2 52.4 20.7 30.2 14.3 8.0 15 13 A N T 34 S+ 0 0 41 2,-0.4 -1,-0.3 262,-0.0 3,-0.1 0.628 127.9 91.2 70.7 12.0 32.5 15.3 10.9 16 14 A I T <4 S+ 0 0 61 -3,-2.5 2,-0.3 1,-0.4 -2,-0.2 0.782 94.2 1.4 -99.5 -52.3 32.4 18.7 9.2 17 15 A M E < -B 13 0A 58 -4,-2.4 -4,-2.5 288,-0.0 -2,-0.4 -0.915 57.7-160.3-135.8 167.7 29.5 20.3 11.0 18 16 A F E -B 12 0A 12 -2,-0.3 2,-0.3 -6,-0.3 -6,-0.3 -0.941 9.3-159.6-145.8 157.2 27.1 19.6 13.7 19 17 A Y E -B 11 0A 15 -8,-2.7 -8,-3.3 -2,-0.3 2,-0.3 -0.938 3.9-159.8-138.0 164.9 23.7 21.1 14.7 20 18 A G E -BC 10 33A 0 13,-1.9 13,-3.1 -2,-0.3 2,-0.3 -0.985 18.7-120.2-142.3 157.1 21.3 21.4 17.7 21 19 A D E + C 0 32A 79 -12,-0.5 75,-0.5 -2,-0.3 2,-0.3 -0.706 29.0 162.4-108.2 144.6 17.6 22.1 18.2 22 20 A A E - C 0 31A 1 9,-1.8 9,-1.9 -2,-0.3 2,-0.3 -0.917 22.9-136.0-144.6 166.7 15.8 24.8 20.0 23 21 A E E -DC 94 30A 44 71,-2.0 71,-2.6 -2,-0.3 2,-0.3 -0.892 7.0-155.4-131.8 152.3 12.2 26.2 20.0 24 22 A V E > +DC 93 29A 1 5,-1.7 5,-2.3 -2,-0.3 69,-0.2 -0.991 55.1 32.9-129.2 145.2 10.7 29.7 20.1 25 23 A G T > 5S- 0 0 0 67,-3.0 3,-2.7 -2,-0.3 69,-0.1 0.110 91.4 -84.4 91.1 154.2 7.2 30.8 21.3 26 24 A D T 3 5S+ 0 0 56 1,-0.3 -1,-0.1 2,-0.1 39,-0.1 0.750 133.9 57.7 -66.4 -13.2 5.0 29.4 24.0 27 25 A N T 3 5S- 0 0 77 -3,-0.1 -1,-0.3 37,-0.1 -2,-0.1 0.301 110.9-129.3 -96.2 6.3 3.9 27.0 21.3 28 26 A Q T < 5 - 0 0 90 -3,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.876 24.1-159.6 46.7 59.0 7.5 25.8 20.9 29 27 A Q E < -C 24 0A 20 -5,-2.3 -5,-1.7 1,-0.1 2,-0.3 -0.430 21.8-119.2 -66.9 131.1 8.0 26.1 17.2 30 28 A P E +C 23 0A 75 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.602 37.6 166.3 -81.8 137.1 11.0 23.9 16.1 31 29 A F E -C 22 0A 3 -9,-1.9 -9,-1.8 -2,-0.3 2,-0.4 -0.976 30.5-130.6-147.2 150.4 14.3 25.1 14.4 32 30 A T E -C 21 0A 30 -2,-0.3 91,-3.5 -11,-0.2 92,-2.0 -0.896 34.5-169.7-105.9 131.9 17.8 23.6 13.8 33 31 A F E -Ce 20 124A 0 -13,-3.1 -13,-1.9 -2,-0.4 2,-0.6 -0.843 34.1-124.3-125.7 158.2 20.7 25.9 14.8 34 32 A I E - e 0 125A 25 90,-1.6 92,-2.8 -2,-0.3 2,-0.9 -0.923 37.0-141.0 -91.5 120.5 24.4 26.2 14.5 35 33 A L E - e 0 126A 3 -2,-0.6 2,-0.7 -17,-0.2 92,-0.2 -0.787 27.1-163.2 -89.1 111.0 25.2 26.5 18.3 36 34 A D E > - e 0 127A 12 90,-2.8 92,-2.2 -2,-0.9 3,-1.4 -0.784 36.6-179.8-116.3 103.4 27.9 29.1 18.2 37 35 A T T 3 S+ 0 0 0 -2,-0.7 158,-0.5 1,-0.3 93,-0.2 0.631 87.6 66.2 -68.3 -5.3 30.5 30.0 20.9 38 36 A G T 3 S+ 0 0 11 156,-0.1 2,-0.3 91,-0.1 -1,-0.3 0.170 102.5 36.6-101.7 16.9 31.8 32.6 18.5 39 37 A S < - 0 0 13 -3,-1.4 90,-1.5 87,-0.1 89,-1.0 -0.915 65.4-141.4-150.3 172.5 28.8 35.0 18.3 40 38 A A + 0 0 10 93,-0.5 2,-0.3 -2,-0.3 98,-0.2 0.036 65.0 79.5-134.0 29.4 26.2 36.2 20.9 41 39 A N - 0 0 8 93,-0.1 86,-1.6 92,-0.1 2,-0.4 -0.955 59.7-138.6-137.2 154.7 22.7 36.5 19.3 42 40 A L E +F 126 0A 3 61,-0.4 63,-2.6 -2,-0.3 2,-0.3 -0.903 26.9 177.0-110.3 136.7 19.9 34.1 18.5 43 41 A W E -Fg 125 105A 0 82,-1.8 82,-0.6 -2,-0.4 63,-0.2 -0.997 11.7-176.7-143.2 147.1 18.1 34.5 15.1 44 42 A V E - g 0 106A 0 61,-2.4 63,-2.5 -2,-0.3 2,-0.2 -0.993 35.0-105.5-138.9 143.3 15.4 32.6 13.3 45 43 A P E - g 0 107A 0 0, 0.0 15,-2.6 0, 0.0 63,-0.2 -0.531 41.1-129.6 -71.9 135.7 13.9 33.2 9.8 46 44 A S B > -n 60 0B 0 61,-2.8 3,-1.5 13,-0.2 15,-0.2 -0.358 18.2-115.8 -83.9 161.4 10.4 34.7 10.0 47 45 A V T 3 S+ 0 0 69 13,-2.2 14,-0.1 1,-0.3 -1,-0.1 0.789 119.3 64.0 -62.2 -26.8 7.2 33.6 8.4 48 46 A K T 3 S+ 0 0 112 12,-0.4 2,-0.8 59,-0.1 -1,-0.3 0.126 76.4 109.9 -83.3 15.7 7.7 37.1 6.7 49 47 A a < + 0 0 7 -3,-1.5 60,-0.1 1,-0.1 59,-0.1 -0.876 36.6 170.4-100.1 115.4 10.9 36.0 5.0 50 48 A T + 0 0 129 -2,-0.8 -1,-0.1 58,-0.6 59,-0.1 0.526 36.1 114.4 -99.4 -8.3 10.4 35.7 1.3 51 49 A T S S- 0 0 15 57,-0.5 4,-0.3 1,-0.1 -2,-0.0 -0.038 78.1-107.9 -57.9 166.1 14.0 35.2 0.0 52 50 A A S > S+ 0 0 53 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.780 115.9 58.8 -66.9 -36.1 15.1 31.9 -1.5 53 51 A G G > S+ 0 0 0 1,-0.2 3,-0.9 2,-0.1 4,-0.2 0.890 103.3 55.9 -61.6 -36.9 17.2 30.7 1.4 54 52 A a G > S+ 0 0 1 1,-0.2 3,-0.9 2,-0.1 -1,-0.2 0.634 86.0 83.8 -68.1 -18.7 14.1 30.9 3.6 55 53 A L G < S+ 0 0 131 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.1 0.732 95.1 37.9 -62.7 -28.3 12.1 28.6 1.3 56 54 A T G < S+ 0 0 113 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.443 102.9 96.3-100.7 -0.5 13.3 25.3 2.8 57 55 A K S < S- 0 0 19 -3,-0.9 2,-0.4 -4,-0.2 66,-0.1 -0.381 79.8-105.9 -96.4 161.2 13.5 26.4 6.5 58 56 A H - 0 0 98 -2,-0.1 2,-0.3 -26,-0.1 -26,-0.1 -0.742 45.7-151.2 -80.9 133.2 11.3 26.3 9.5 59 57 A L - 0 0 60 -2,-0.4 2,-0.4 -15,-0.1 -13,-0.2 -0.848 9.4-123.8-117.4 147.0 9.9 29.7 10.0 60 58 A Y B -n 46 0B 0 -15,-2.6 -13,-2.2 -2,-0.3 2,-0.6 -0.720 19.2-171.8 -90.6 127.9 8.8 31.7 13.1 61 59 A D > - 0 0 36 -2,-0.4 3,-1.6 -15,-0.2 -32,-0.1 -0.935 4.5-169.0-119.9 101.6 5.3 33.0 13.2 62 60 A S G > S+ 0 0 13 -2,-0.6 3,-1.1 1,-0.3 6,-0.2 0.589 79.7 74.2 -68.2 -10.0 5.0 35.2 16.2 63 61 A S G 3 S+ 0 0 88 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.588 91.3 58.1 -80.3 -6.9 1.2 35.4 15.8 64 62 A K G < S+ 0 0 132 -3,-1.6 2,-0.4 1,-0.1 -1,-0.2 0.201 95.0 75.2-105.7 19.6 1.0 31.9 17.1 65 63 A S X - 0 0 10 -3,-1.1 3,-1.1 1,-0.1 -1,-0.1 -0.971 58.1-162.2-135.3 117.6 2.7 32.6 20.4 66 64 A R T 3 S+ 0 0 224 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.822 93.2 59.8 -69.5 -28.1 1.0 34.3 23.3 67 65 A T T 3 S+ 0 0 61 2,-0.1 -1,-0.2 25,-0.0 -42,-0.1 0.571 77.2 119.3 -76.1 -5.3 4.3 35.1 24.9 68 66 A Y < - 0 0 54 -3,-1.1 2,-0.5 -6,-0.2 23,-0.3 -0.266 44.4-168.1 -60.6 137.9 5.6 37.0 21.9 69 67 A E E -H 90 0A 116 21,-3.5 21,-1.8 0, 0.0 -2,-0.1 -0.982 20.9-123.6-134.6 118.7 6.4 40.6 22.7 70 68 A K E +H 89 0A 153 -2,-0.5 19,-0.2 19,-0.2 21,-0.0 -0.278 40.6 155.0 -60.1 140.5 7.0 43.0 19.9 71 69 A D E - 0 0 56 17,-0.6 18,-0.2 2,-0.0 -1,-0.2 0.405 16.2-174.4-128.5 -71.5 10.2 45.0 19.7 72 70 A G E + 0 0 29 16,-3.4 2,-0.2 1,-0.3 17,-0.1 0.312 23.6 149.7 91.7 -13.7 10.8 45.9 16.1 73 71 A T E - 0 0 82 15,-0.1 15,-2.9 14,-0.1 -1,-0.3 -0.444 51.1-118.1 -58.5 122.5 14.3 47.4 16.3 74 72 A K E -H 87 0A 185 13,-0.3 2,-0.4 -2,-0.2 13,-0.3 -0.362 35.2-173.6 -69.9 135.4 16.0 46.8 13.0 75 73 A V E -H 86 0A 8 11,-1.9 11,-2.8 31,-0.2 2,-0.5 -0.994 19.2-162.0-133.2 140.8 19.1 44.6 13.0 76 74 A E E -H 85 0A 114 -2,-0.4 2,-0.8 9,-0.2 9,-0.3 -0.957 17.0-152.9-121.5 118.9 21.6 43.7 10.4 77 75 A M E -H 84 0A 9 7,-3.8 7,-1.9 -2,-0.5 2,-0.7 -0.845 11.1-170.0-101.5 105.8 23.6 40.7 11.5 78 76 A N E +H 83 0A 92 -2,-0.8 5,-0.2 5,-0.2 2,-0.2 -0.802 9.1 172.9-101.3 98.8 27.1 40.6 9.8 79 77 A Y E > -H 82 0A 44 3,-2.6 3,-0.9 -2,-0.7 -40,-0.0 -0.459 49.6-110.4 -88.9 170.6 29.1 37.4 10.3 80 78 A V T 3 S+ 0 0 159 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.858 122.8 56.5 -70.0 -27.8 32.4 36.9 8.5 81 79 A S T 3 S- 0 0 87 1,-0.2 2,-0.2 32,-0.0 -1,-0.2 0.514 124.3 -68.6 -74.4 -14.5 30.3 34.2 6.6 82 80 A G E < -H 79 0A 16 -3,-0.9 -3,-2.6 34,-0.1 2,-0.4 -0.855 53.5 -72.6 148.1-172.3 27.6 36.6 5.4 83 81 A T E +H 78 0A 40 29,-3.0 2,-0.4 -2,-0.2 29,-0.3 -0.910 26.2 178.7-132.1 131.7 24.7 38.9 6.4 84 82 A V E -H 77 0A 1 -7,-1.9 -7,-3.8 -2,-0.4 2,-0.3 -0.965 15.8-165.0-122.2 151.3 21.1 38.4 7.6 85 83 A S E +HI 76 109A 39 24,-2.8 24,-2.2 -2,-0.4 23,-2.2 -0.962 28.3 104.8-138.8 154.7 18.8 41.2 8.5 86 84 A G E -HI 75 107A 4 -11,-2.8 -11,-1.9 -2,-0.3 2,-0.3 -0.769 56.3 -68.3 177.2-129.6 15.5 41.7 10.3 87 85 A F E -HI 74 106A 31 19,-2.8 19,-2.7 -13,-0.3 -13,-0.3 -0.992 41.8 -90.5-155.6 159.7 14.3 43.0 13.6 88 86 A F E + I 0 105A 7 -15,-2.9 -16,-3.4 -2,-0.3 -17,-0.6 -0.496 42.1 172.5 -74.9 143.9 14.3 42.3 17.3 89 87 A S E -HI 70 104A 0 15,-2.2 15,-2.3 -18,-0.2 2,-0.4 -0.922 21.3-140.1-141.7 162.3 11.5 40.3 18.9 90 88 A K E +HI 69 103A 71 -21,-1.8 -21,-3.5 -2,-0.3 2,-0.3 -0.985 38.5 127.3-132.7 131.8 10.9 38.8 22.3 91 89 A D E - 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