==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-08 3F9Q . COMPND 2 MOLECULE: PLASMEPSIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.H.ROBBINS,R.MCKENNA . 325 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 32.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 0 0.0 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 . 35 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 3 3 4 3 1 4 0 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 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 S 0 0 137 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.9 2.6 -14.6 5.6 2 2 A S + 0 0 121 2,-0.1 148,-0.2 147,-0.0 2,-0.2 0.557 360.0 71.1 -79.4 -8.1 3.1 -11.7 3.2 3 3 A N S S- 0 0 19 146,-0.1 2,-0.8 147,-0.1 168,-0.2 -0.648 91.0-107.4-105.9 165.4 4.6 -9.7 6.0 4 4 A D E -A 170 0A 2 166,-2.4 166,-3.1 -2,-0.2 2,-0.5 -0.828 37.1-168.3 -96.8 108.8 8.0 -10.0 7.9 5 5 A N E -A 169 0A 33 -2,-0.8 2,-0.5 164,-0.2 164,-0.2 -0.850 8.2-170.2-104.1 130.0 7.4 -11.4 11.4 6 6 A I E -A 168 0A 11 162,-3.3 162,-2.6 -2,-0.5 2,-0.1 -0.965 23.2-128.6-118.9 117.6 10.1 -11.4 14.1 7 7 A E E -A 167 0A 108 -2,-0.5 12,-0.5 160,-0.2 2,-0.4 -0.384 21.9-150.1 -68.0 141.2 9.4 -13.3 17.3 8 8 A L E -A 166 0A 0 158,-2.8 158,-2.2 149,-0.2 2,-0.4 -0.911 5.2-157.2-116.3 137.7 9.9 -11.4 20.6 9 9 A V E -F 17 0B 73 8,-2.2 8,-2.6 -2,-0.4 2,-0.2 -0.923 17.9-125.4-116.2 139.3 11.0 -12.9 24.0 10 10 A D E -F 16 0B 40 -2,-0.4 2,-0.5 6,-0.2 6,-0.3 -0.491 13.4-154.6 -80.5 148.4 10.4 -11.2 27.3 11 11 A F E >> S-F 15 0B 37 4,-3.2 3,-2.5 -2,-0.2 4,-1.7 -0.911 71.0 -45.2-127.2 101.1 13.2 -10.6 29.8 12 12 A Q T 34 S- 0 0 127 -2,-0.5 4,-0.1 1,-0.3 -2,-0.0 0.725 98.5 -76.3 48.3 29.1 12.0 -10.4 33.4 13 13 A N T 34 S+ 0 0 26 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.710 127.7 83.7 59.4 21.2 9.1 -8.2 32.4 14 14 A I T <4 S+ 0 0 62 -3,-2.5 2,-0.3 1,-0.4 -2,-0.2 0.550 97.2 14.5-122.8 -21.0 11.4 -5.2 32.0 15 15 A M E < -F 11 0B 35 -4,-1.7 -4,-3.2 203,-0.0 -1,-0.4 -0.927 59.1-155.6-146.6 167.2 12.8 -5.8 28.5 16 16 A F E -F 10 0B 10 -2,-0.3 17,-0.6 -6,-0.3 2,-0.3 -0.981 14.8-153.3-147.5 144.8 12.0 -7.8 25.4 17 17 A Y E -FG 9 32B 7 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.3 -0.812 11.2-168.8-123.1 163.6 14.3 -8.9 22.6 18 18 A G E - G 0 31B 3 13,-1.7 13,-3.0 -2,-0.3 2,-0.3 -0.970 22.7-126.0-143.7 150.1 14.3 -9.9 19.0 19 19 A D E + G 0 30B 92 -12,-0.5 75,-0.4 -2,-0.3 2,-0.3 -0.747 31.6 158.4-104.0 152.6 17.0 -11.5 16.9 20 20 A A E - G 0 29B 3 9,-1.6 9,-1.5 -2,-0.3 2,-0.3 -0.946 27.4-124.9-157.6 166.3 18.5 -10.3 13.6 21 21 A E E -HG 92 28B 43 71,-2.6 71,-2.6 -2,-0.3 2,-0.4 -0.859 9.7-159.6-124.8 158.8 21.8 -10.8 11.7 22 22 A V E > +HG 91 27B 1 5,-1.9 5,-1.7 -2,-0.3 69,-0.2 -0.996 55.5 34.1-134.4 138.6 24.5 -8.8 10.2 23 23 A G T > 5S- 0 0 0 67,-2.5 3,-1.7 -2,-0.4 40,-0.1 -0.042 89.9 -82.6 101.3 155.4 27.0 -9.9 7.5 24 24 A D T 3 5S+ 0 0 39 1,-0.3 -1,-0.1 2,-0.1 39,-0.1 0.724 129.2 54.9 -65.2 -23.0 26.8 -12.1 4.5 25 25 A N T 3 5S- 0 0 76 -3,-0.1 -1,-0.3 37,-0.1 -2,-0.1 0.228 115.4-115.9 -96.1 13.6 27.4 -15.1 6.8 26 26 A Q T < 5 - 0 0 75 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.934 33.0-160.4 54.9 56.4 24.4 -14.1 8.9 27 27 A Q E < -G 22 0B 17 -5,-1.7 -5,-1.9 1,-0.1 -1,-0.2 -0.540 21.0-124.8 -68.3 126.5 26.2 -13.4 12.2 28 28 A P E +G 21 0B 79 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.467 33.9 171.9 -78.2 143.9 23.5 -13.7 14.9 29 29 A F E -G 20 0B 2 -9,-1.5 -9,-1.6 -2,-0.2 2,-0.5 -0.992 28.8-132.9-148.8 151.6 22.7 -11.0 17.5 30 30 A T E -G 19 0B 22 -2,-0.3 91,-2.9 -11,-0.2 92,-2.0 -0.924 33.9-163.8-106.9 130.4 20.0 -10.3 20.1 31 31 A F E -Gi 18 122B 2 -13,-3.0 -13,-1.7 -2,-0.5 2,-0.4 -0.895 28.1-135.1-123.3 148.8 18.6 -6.8 20.0 32 32 A I E -Gi 17 123B 31 90,-1.9 92,-3.0 -2,-0.3 2,-0.8 -0.788 32.7-139.2 -87.2 137.3 16.6 -4.4 22.1 33 33 A L E - i 0 124B 6 -17,-0.6 2,-0.6 -2,-0.4 92,-0.2 -0.907 24.5-169.8-106.9 106.2 14.0 -3.0 19.6 34 34 A D E > - i 0 125B 16 90,-2.1 92,-3.1 -2,-0.8 3,-1.5 -0.839 27.6-178.7-108.7 105.0 13.8 0.7 20.3 35 35 A T T 3 S+ 0 0 1 -2,-0.6 158,-0.3 1,-0.3 93,-0.2 0.631 86.3 67.3 -71.6 -10.0 11.1 3.0 18.8 36 36 A G T 3 S+ 0 0 15 91,-0.1 2,-0.3 156,-0.1 -1,-0.3 0.408 101.4 43.9 -90.6 -0.4 12.9 5.8 20.7 37 37 A S < - 0 0 5 -3,-1.5 90,-2.1 87,-0.1 89,-0.6 -0.884 62.7-148.2-136.8 170.5 16.1 5.8 18.7 38 38 A A + 0 0 3 93,-0.5 2,-0.3 -2,-0.3 94,-0.2 0.281 64.1 83.3-128.1 13.4 17.1 5.6 15.1 39 39 A N - 0 0 4 92,-0.1 86,-1.4 93,-0.1 2,-0.4 -0.838 60.2-139.9-118.0 157.4 20.4 3.8 14.8 40 40 A L E +J 124 0B 4 61,-0.4 63,-2.9 -2,-0.3 2,-0.3 -0.927 26.6 177.2-110.9 136.2 21.4 0.1 14.7 41 41 A W E -Jk 123 103B 0 82,-2.2 82,-1.0 -2,-0.4 63,-0.2 -1.000 13.5-178.9-144.6 144.7 24.5 -1.0 16.6 42 42 A V E - k 0 104B 0 61,-1.9 63,-2.4 -2,-0.3 2,-0.2 -0.978 37.2-103.1-135.5 146.8 26.2 -4.2 17.3 43 43 A P E - k 0 105B 0 0, 0.0 15,-2.8 0, 0.0 63,-0.2 -0.523 39.3-129.0 -72.7 138.5 29.4 -4.9 19.3 44 44 A S B > -n 58 0C 0 61,-2.7 3,-1.9 13,-0.2 15,-0.2 -0.448 15.9-123.1 -85.4 156.8 32.5 -5.4 17.2 45 45 A V T 3 S+ 0 0 60 13,-2.4 14,-0.1 1,-0.3 -1,-0.1 0.694 118.6 63.5 -69.0 -13.7 35.0 -8.3 17.6 46 46 A K T 3 S+ 0 0 129 12,-0.4 2,-0.6 59,-0.1 -1,-0.3 0.475 76.9 103.6 -86.5 -4.4 37.3 -5.3 18.0 47 47 A a < + 0 0 3 -3,-1.9 60,-0.1 58,-0.2 59,-0.1 -0.705 45.7 177.7 -79.9 123.5 35.4 -4.3 21.2 48 48 A T + 0 0 124 58,-0.7 2,-0.2 -2,-0.6 -1,-0.1 -0.052 33.5 122.1-119.0 32.4 37.7 -5.3 24.1 49 49 A T S >> S- 0 0 10 57,-0.3 4,-0.8 1,-0.1 3,-0.7 -0.588 75.0-111.4 -89.3 157.2 35.7 -4.1 27.1 50 50 A A G >4 S+ 0 0 73 1,-0.2 3,-0.8 -2,-0.2 4,-0.4 0.866 116.9 59.7 -56.9 -37.6 34.6 -6.6 29.8 51 51 A G G >4 S+ 0 0 0 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.882 101.1 54.9 -59.6 -37.2 31.0 -6.2 28.7 52 52 A a G X4 S+ 0 0 0 -3,-0.7 3,-1.5 1,-0.2 -1,-0.2 0.725 87.9 77.3 -69.7 -22.7 31.8 -7.4 25.2 53 53 A L G << S+ 0 0 142 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.709 98.7 44.4 -62.5 -19.4 33.4 -10.7 26.3 54 54 A T G < S+ 0 0 105 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.428 102.9 87.1-103.4 -0.2 29.9 -12.2 27.0 55 55 A K S < S- 0 0 21 -3,-1.5 2,-0.5 -4,-0.2 66,-0.1 -0.473 84.8-103.5-100.2 167.4 28.3 -10.9 23.8 56 56 A H - 0 0 98 -2,-0.1 2,-0.3 -26,-0.1 -26,-0.1 -0.785 49.3-152.0 -83.4 129.1 27.9 -12.1 20.2 57 57 A L - 0 0 50 -2,-0.5 2,-0.5 -15,-0.1 -13,-0.2 -0.771 9.8-122.2-110.8 154.6 30.4 -9.9 18.3 58 58 A Y B -n 44 0C 0 -15,-2.8 -13,-2.4 -2,-0.3 2,-0.6 -0.820 19.2-168.8 -98.3 125.7 30.5 -8.7 14.7 59 59 A D > - 0 0 39 -2,-0.5 3,-1.7 -15,-0.2 4,-0.1 -0.892 4.8-171.6-115.5 99.5 33.5 -9.6 12.6 60 60 A S G > S+ 0 0 19 -2,-0.6 3,-1.5 1,-0.3 6,-0.3 0.745 81.6 68.2 -61.0 -26.0 33.5 -7.5 9.3 61 61 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.627 94.4 58.1 -71.6 -11.4 36.4 -9.6 7.9 62 62 A K G < S+ 0 0 132 -3,-1.7 2,-0.5 1,-0.1 -1,-0.3 0.343 96.1 75.8 -98.1 5.0 34.1 -12.6 7.7 63 63 A S X - 0 0 9 -3,-1.5 3,-1.1 1,-0.1 -1,-0.1 -0.966 58.9-161.7-124.7 123.4 31.6 -10.9 5.4 64 64 A R T 3 S+ 0 0 221 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.824 93.9 58.7 -65.4 -34.3 32.1 -10.2 1.7 65 65 A T T 3 S+ 0 0 61 2,-0.1 -1,-0.2 25,-0.0 2,-0.2 0.486 76.5 123.7 -77.1 -4.0 29.4 -7.6 1.7 66 66 A Y < - 0 0 58 -3,-1.1 2,-0.6 -6,-0.3 23,-0.2 -0.395 43.4-165.4 -63.2 128.9 31.1 -5.5 4.4 67 67 A E E -L 88 0B 120 21,-3.4 21,-1.2 -2,-0.2 -2,-0.1 -0.947 17.8-131.9-120.6 108.3 31.7 -1.9 3.2 68 68 A K E +L 87 0B 154 -2,-0.6 19,-0.1 19,-0.2 18,-0.0 -0.222 40.1 152.0 -59.0 144.0 34.2 0.0 5.3 69 69 A D E - 0 0 64 17,-0.6 18,-0.2 2,-0.0 -1,-0.2 0.384 18.0-174.0-133.6 -71.2 33.3 3.5 6.5 70 70 A G E + 0 0 22 16,-2.8 2,-0.2 1,-0.3 17,-0.1 0.428 20.8 156.8 85.6 -1.9 35.1 4.2 9.7 71 71 A T E - 0 0 79 15,-0.2 15,-2.2 1,-0.1 -1,-0.3 -0.421 48.4-115.0 -60.1 123.7 33.4 7.6 10.5 72 72 A K E +L 85 0B 169 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.336 46.6 165.6 -62.8 139.7 33.8 8.0 14.3 73 73 A V E -L 84 0B 17 11,-2.5 11,-2.9 -3,-0.1 2,-0.4 -0.993 25.2-161.6-158.2 148.9 30.5 8.1 16.2 74 74 A E E -L 83 0B 118 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.997 11.7-155.6-133.2 137.7 29.1 7.8 19.7 75 75 A M E -L 82 0B 21 7,-2.9 7,-2.3 -2,-0.4 2,-0.4 -0.944 6.5-152.9-118.2 135.5 25.5 7.0 20.6 76 76 A N E +L 81 0B 93 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.847 15.3 172.3-110.6 143.2 23.7 8.0 23.9 77 77 A Y E > -L 80 0B 35 3,-3.7 3,-1.9 -2,-0.4 -40,-0.0 -0.847 50.6 -93.0-135.7 171.4 20.9 6.3 25.7 78 78 A V T 3 S+ 0 0 161 1,-0.3 3,-0.1 -2,-0.3 -1,-0.1 0.905 127.0 43.6 -53.0 -44.1 19.1 6.7 29.0 79 79 A S T 3 S- 0 0 50 1,-0.1 35,-0.3 32,-0.1 2,-0.3 0.273 125.9 -69.8 -88.5 11.3 21.4 4.1 30.5 80 80 A G E < -L 77 0B 17 -3,-1.9 -3,-3.7 31,-0.1 2,-0.3 -0.935 52.2 -63.4 143.7-165.7 24.7 5.3 28.9 81 81 A T E -L 76 0B 43 29,-2.7 29,-0.4 -2,-0.3 2,-0.4 -0.954 25.0-167.0-132.2 148.5 26.9 5.8 25.9 82 82 A V E -L 75 0B 0 -7,-2.3 -7,-2.9 -2,-0.3 2,-0.3 -0.986 13.5-159.5-132.4 141.7 28.6 3.4 23.4 83 83 A S E +LM 74 107B 43 24,-2.0 23,-2.9 -2,-0.4 24,-2.2 -0.908 31.7 104.0-126.6 154.9 31.2 4.5 20.9 84 84 A G E -LM 73 105B 9 -11,-2.9 -11,-2.5 -2,-0.3 2,-0.3 -0.828 57.6 -74.7 178.6-137.6 32.7 3.2 17.7 85 85 A F E -LM 72 104B 12 19,-1.7 19,-3.1 -13,-0.3 -13,-0.2 -0.981 42.6 -90.9-151.1 158.1 32.4 3.9 14.0 86 86 A F E + M 0 103B 6 -15,-2.2 -16,-2.8 -2,-0.3 -17,-0.6 -0.402 42.4 169.9 -72.8 147.7 30.0 3.5 11.1 87 87 A S E -LM 68 102B 0 15,-2.4 15,-2.8 -18,-0.2 2,-0.4 -0.924 21.0-141.0-147.6 164.6 30.1 0.4 8.9 88 88 A K E +LM 67 101B 75 -21,-1.2 -21,-3.4 -2,-0.3 2,-0.3 -0.999 34.0 134.0-137.4 134.7 27.8 -1.0 6.3 89 89 A D E - 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