==== 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 10-APR-02 1LF3 . COMPND 2 MOLECULE: PLASMEPSIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR O.A.ASOJO,S.V.GULNIK,E.AFONINA,B.YU,J.A.ELLMAN,T.S.HAQUE,A.M . 331 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 230 69.5 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 . 105 31.7 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 . 43 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.8 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 2 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 3 5 3 1 4 1 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 1 0 0 1 0 1 1 0 0 0 0 0 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 0 235 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.2 4.0 -19.0 0.8 2 0 A G + 0 0 73 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.972 360.0 5.8 153.7-136.2 2.9 -17.8 4.2 3 1 A S - 0 0 60 -2,-0.3 4,-0.1 2,-0.2 0, 0.0 -0.742 55.2-147.4 -84.5 120.2 2.6 -14.4 5.9 4 2 A S S S+ 0 0 123 -2,-0.6 2,-0.2 2,-0.1 -1,-0.2 0.620 81.0 78.8 -60.7 -9.6 3.3 -11.7 3.3 5 3 A N S S- 0 0 31 146,-0.1 2,-0.6 168,-0.0 168,-0.2 -0.639 88.1-113.2-102.7 158.9 4.7 -9.9 6.3 6 4 A D E -A 172 0A 4 166,-2.4 166,-3.5 -2,-0.2 2,-0.5 -0.812 34.0-171.1 -93.2 118.2 8.0 -10.2 8.2 7 5 A N E -A 171 0A 42 -2,-0.6 2,-0.6 164,-0.2 164,-0.2 -0.955 8.7-169.4-115.6 125.8 7.5 -11.5 11.8 8 6 A I E -A 170 0A 14 162,-2.8 162,-1.8 -2,-0.5 2,-0.1 -0.949 24.4-129.0-114.1 115.2 10.2 -11.6 14.4 9 7 A E E -A 169 0A 109 -2,-0.6 2,-0.4 160,-0.2 12,-0.4 -0.371 21.8-147.4 -65.6 140.5 9.4 -13.5 17.5 10 8 A L E -A 168 0A 0 158,-3.0 158,-2.6 149,-0.2 2,-0.4 -0.931 5.8-156.1-115.3 131.1 10.1 -11.7 20.8 11 9 A V E -F 19 0B 71 8,-1.6 8,-2.0 -2,-0.4 2,-0.2 -0.830 18.0-127.1-105.0 140.5 11.2 -13.2 24.1 12 10 A D E -F 18 0B 43 -2,-0.4 2,-0.5 6,-0.2 6,-0.3 -0.608 14.0-156.9 -85.9 146.2 10.5 -11.6 27.4 13 11 A F E >> -F 17 0B 41 4,-3.7 3,-2.0 -2,-0.2 4,-1.6 -0.892 69.0 -45.5-127.3 99.9 13.3 -11.0 29.9 14 12 A Q T 34 S- 0 0 126 -2,-0.5 4,-0.1 1,-0.3 -2,-0.0 0.694 97.2 -75.3 51.0 29.1 12.2 -10.7 33.5 15 13 A N T 34 S+ 0 0 24 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.594 127.5 83.0 63.7 11.6 9.3 -8.3 32.6 16 14 A I T <4 S+ 0 0 60 -3,-2.0 2,-0.3 1,-0.4 -2,-0.2 0.627 98.8 6.8-114.7 -23.1 11.7 -5.5 32.1 17 15 A M E < -F 13 0B 36 -4,-1.6 -4,-3.7 203,-0.1 -1,-0.4 -0.960 55.3-155.9-152.0 165.9 12.9 -6.1 28.6 18 16 A F E -F 12 0B 10 -2,-0.3 17,-0.5 -6,-0.3 -6,-0.2 -0.984 17.3-150.9-146.5 143.6 12.2 -8.3 25.6 19 17 A Y E -FG 11 34B 8 -8,-2.0 -8,-1.6 -2,-0.3 2,-0.3 -0.687 10.2-166.3-117.2 171.2 14.6 -9.2 22.7 20 18 A G E - G 0 33B 4 13,-1.7 13,-3.5 -2,-0.2 2,-0.4 -0.979 22.4-120.8-150.6 150.1 14.6 -10.1 19.1 21 19 A D E + G 0 32B 95 -12,-0.4 75,-0.4 -2,-0.3 2,-0.3 -0.774 32.0 162.3-102.0 143.7 17.3 -11.6 16.8 22 20 A A E - G 0 31B 4 9,-1.8 9,-1.1 -2,-0.4 2,-0.3 -0.934 25.8-127.8-146.1 162.6 18.7 -10.0 13.6 23 21 A E E -HG 94 30B 41 71,-3.3 71,-2.4 -2,-0.3 2,-0.4 -0.856 10.6-161.1-121.0 158.4 21.9 -10.7 11.6 24 22 A V E > +HG 93 29B 1 5,-1.8 5,-1.8 -2,-0.3 69,-0.2 -0.996 53.3 30.7-135.2 137.7 24.7 -8.6 10.3 25 23 A G T > 5S- 0 0 0 67,-3.0 3,-2.8 -2,-0.4 4,-0.2 0.250 88.3 -82.7 94.1 145.0 27.1 -9.5 7.5 26 24 A D T 3 5S+ 0 0 55 1,-0.3 -1,-0.1 2,-0.1 39,-0.1 0.805 128.3 55.4 -46.2 -35.0 27.0 -11.6 4.3 27 25 A N T 3 5S- 0 0 66 -3,-0.1 -1,-0.3 65,-0.1 -2,-0.1 0.299 114.1-114.8 -87.6 8.1 27.7 -14.6 6.5 28 26 A Q T < 5 - 0 0 81 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.932 34.1-165.7 61.2 54.9 24.7 -14.1 8.8 29 27 A Q E < -G 24 0B 21 -5,-1.8 -5,-1.8 -4,-0.2 -1,-0.2 -0.629 22.8-125.7 -74.7 121.2 26.4 -13.4 12.2 30 28 A P E +G 23 0B 77 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.290 32.2 177.2 -68.8 147.2 23.7 -13.7 14.8 31 29 A F E -G 22 0B 4 -9,-1.1 -9,-1.8 -2,-0.0 2,-0.5 -0.990 27.8-132.9-155.4 144.2 22.8 -11.0 17.4 32 30 A T E -G 21 0B 26 -2,-0.3 91,-2.2 -11,-0.2 92,-1.8 -0.866 33.9-167.6 -98.0 125.4 20.3 -10.4 20.2 33 31 A F E -Gi 20 124B 0 -13,-3.5 -13,-1.7 -2,-0.5 2,-0.7 -0.819 26.7-138.7-119.4 154.3 18.7 -6.9 20.0 34 32 A I E -Gi 19 125B 23 90,-1.4 92,-2.2 -2,-0.3 2,-1.3 -0.952 28.7-138.4-105.0 115.7 16.7 -4.6 22.2 35 33 A L E - i 0 126B 7 -2,-0.7 2,-0.7 -17,-0.5 92,-0.2 -0.653 26.3-172.6 -82.1 97.4 14.1 -3.1 19.8 36 34 A D E > - i 0 127B 12 90,-1.6 92,-2.1 -2,-1.3 3,-1.1 -0.803 26.1-177.2 -98.1 111.3 14.0 0.5 20.9 37 35 A T T 3 S+ 0 0 1 -2,-0.7 158,-0.5 1,-0.2 -1,-0.1 0.452 83.9 72.9 -81.4 4.4 11.4 2.8 19.4 38 36 A G T 3 S+ 0 0 12 156,-0.1 2,-0.2 91,-0.1 -1,-0.2 0.507 99.6 35.7 -94.9 -7.9 13.2 5.4 21.6 39 37 A S < - 0 0 7 -3,-1.1 90,-2.8 87,-0.1 89,-1.2 -0.793 65.2-142.2-134.1 178.7 16.3 5.7 19.5 40 38 A A + 0 0 9 93,-0.4 2,-0.3 87,-0.3 98,-0.2 0.107 65.6 85.2-136.5 26.9 17.2 5.7 15.8 41 39 A N - 0 0 2 93,-0.1 86,-1.2 92,-0.1 2,-0.5 -0.943 57.2-143.6-131.5 151.9 20.5 3.9 15.4 42 40 A L E +J 126 0B 4 61,-0.3 63,-2.6 -2,-0.3 2,-0.3 -0.946 25.5 169.5-114.0 130.9 21.6 0.3 15.1 43 41 A W E -Jk 125 105B 0 82,-1.7 82,-0.7 -2,-0.5 63,-0.2 -0.995 14.3-170.2-143.1 148.9 24.9 -0.8 16.7 44 42 A V E - k 0 106B 0 61,-1.9 63,-2.7 -2,-0.3 2,-0.2 -0.946 34.8-102.3-131.9 151.5 26.6 -4.1 17.4 45 43 A P E - k 0 107B 0 0, 0.0 15,-2.3 0, 0.0 63,-0.2 -0.563 38.5-133.9 -76.9 141.8 29.7 -4.8 19.5 46 44 A S B > -n 60 0C 0 61,-3.1 3,-0.8 -2,-0.2 15,-0.2 -0.443 17.2-123.8 -90.6 165.1 32.9 -5.4 17.5 47 45 A V T 3 S+ 0 0 68 13,-1.5 -1,-0.1 1,-0.2 14,-0.1 0.647 117.5 63.2 -76.9 -14.4 35.5 -8.1 17.9 48 46 A K T 3 S+ 0 0 103 12,-0.3 2,-0.5 59,-0.1 -1,-0.2 0.601 76.7 106.4 -81.9 -13.1 37.7 -5.0 18.3 49 47 A a < + 0 0 4 -3,-0.8 60,-0.1 58,-0.3 59,-0.1 -0.578 46.3 179.3 -70.5 121.6 35.8 -4.1 21.4 50 48 A T + 0 0 127 58,-0.9 -1,-0.1 -2,-0.5 2,-0.1 0.205 37.8 114.4-110.2 12.8 38.2 -4.9 24.2 51 49 A T S > S- 0 0 10 57,-0.5 4,-0.5 1,-0.1 3,-0.4 -0.484 77.4-112.0 -82.8 157.3 36.1 -3.9 27.2 52 50 A A T >4 S+ 0 0 72 1,-0.2 3,-1.8 2,-0.2 4,-0.4 0.885 113.4 62.5 -55.8 -44.4 34.9 -6.5 29.7 53 51 A G G >4 S+ 0 0 1 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.917 99.2 56.8 -47.1 -49.6 31.2 -6.1 28.8 54 52 A a G >4 S+ 0 0 0 -3,-0.4 3,-0.5 1,-0.3 -1,-0.3 0.649 87.4 75.5 -58.8 -20.6 32.1 -7.3 25.3 55 53 A L G << S+ 0 0 136 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.694 100.7 43.1 -69.5 -15.3 33.6 -10.6 26.4 56 54 A T G < S+ 0 0 101 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.568 104.6 78.9-103.1 -12.1 30.2 -12.0 27.1 57 55 A K S < S- 0 0 22 -3,-0.5 2,-0.3 -4,-0.4 66,-0.1 -0.322 88.1 -95.5 -92.4 173.4 28.4 -10.7 23.9 58 56 A H - 0 0 97 -26,-0.1 2,-0.4 -2,-0.1 -1,-0.1 -0.713 45.0-143.8 -86.8 140.6 28.3 -11.8 20.3 59 57 A L - 0 0 55 -2,-0.3 2,-0.4 -15,-0.1 -13,-0.2 -0.907 5.4-131.8-119.8 139.9 30.8 -10.0 18.2 60 58 A Y B -n 46 0C 0 -15,-2.3 -13,-1.5 -2,-0.4 2,-0.6 -0.643 17.0-166.3 -83.2 131.1 30.8 -8.8 14.6 61 59 A D > - 0 0 34 -2,-0.4 3,-1.3 -15,-0.2 4,-0.4 -0.928 7.9-171.9-122.2 106.0 33.8 -9.6 12.5 62 60 A S G > S+ 0 0 21 -2,-0.6 3,-2.6 1,-0.3 6,-0.3 0.903 83.9 66.4 -62.6 -41.6 34.0 -7.6 9.3 63 61 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.691 99.8 53.9 -53.9 -17.7 36.9 -9.6 7.9 64 62 A K G < S+ 0 0 132 -3,-1.3 2,-0.6 1,-0.1 -1,-0.3 0.597 96.4 78.1 -92.6 -14.1 34.5 -12.6 7.8 65 63 A S X - 0 0 9 -3,-2.6 3,-1.1 -4,-0.4 -1,-0.1 -0.885 59.0-164.2-105.7 121.2 31.9 -10.7 5.7 66 64 A R T 3 S+ 0 0 211 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.847 92.6 53.8 -65.8 -37.3 32.5 -10.3 2.0 67 65 A T T 3 S+ 0 0 59 2,-0.1 -1,-0.3 25,-0.0 -42,-0.1 0.379 79.0 127.3 -81.5 3.6 29.9 -7.5 1.8 68 66 A Y < - 0 0 50 -3,-1.1 2,-0.4 -6,-0.3 23,-0.2 -0.314 42.1-163.3 -61.0 144.7 31.5 -5.4 4.5 69 67 A E E -L 90 0B 117 21,-2.8 21,-1.8 0, 0.0 -2,-0.1 -0.926 14.1-133.3-137.0 110.1 32.1 -1.9 3.5 70 68 A K E +L 89 0B 143 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.291 39.2 151.5 -64.3 142.6 34.5 0.2 5.5 71 69 A D E - 0 0 70 17,-0.7 18,-0.2 2,-0.1 -1,-0.2 0.448 22.4-169.3-131.0 -62.3 33.5 3.7 6.5 72 70 A G E + 0 0 25 16,-2.1 2,-0.2 1,-0.3 17,-0.1 0.411 23.7 154.8 81.7 -0.9 35.4 4.3 9.8 73 71 A T E - 0 0 75 14,-0.1 15,-3.8 1,-0.1 -1,-0.3 -0.437 43.9-124.5 -63.2 126.5 33.6 7.5 10.8 74 72 A K E +L 87 0B 181 13,-0.3 2,-0.3 -2,-0.2 13,-0.3 -0.460 37.1 172.5 -73.0 143.1 33.9 7.9 14.6 75 73 A V E -L 86 0B 17 11,-2.8 11,-2.3 -2,-0.1 2,-0.5 -0.995 26.6-146.3-153.4 149.0 30.6 8.3 16.5 76 74 A E E -L 85 0B 117 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.953 14.0-159.6-123.3 112.0 29.3 8.4 20.1 77 75 A M E -L 84 0B 17 7,-2.8 7,-2.2 -2,-0.5 2,-0.4 -0.795 12.6-172.2 -92.7 119.7 25.8 7.0 20.8 78 76 A N E +L 83 0B 73 -2,-0.6 5,-0.2 5,-0.2 2,-0.1 -0.947 10.6 171.5-122.2 133.3 24.2 8.2 24.1 79 77 A Y - 0 0 47 3,-3.6 3,-0.4 -2,-0.4 -40,-0.0 -0.315 51.7 -94.0-111.8-163.4 21.0 7.0 25.8 80 78 A V S S+ 0 0 157 1,-0.2 3,-0.1 -2,-0.1 -1,-0.0 0.813 125.9 44.2 -85.3 -31.1 19.6 7.9 29.2 81 79 A S S S- 0 0 67 1,-0.2 2,-0.2 32,-0.0 35,-0.2 0.011 125.7 -40.9-100.8 25.8 21.2 4.9 30.7 82 80 A G - 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