==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-06 2IGY . COMPND 2 MOLECULE: PLASMEPSIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR L.PRADE . 658 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 89 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 2 6 8 10 4 4 3 1 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 2 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 0 165 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.3 28.3 -7.6 16.4 2 2 A S + 0 0 88 1,-0.2 147,-0.1 147,-0.0 170,-0.1 -0.644 360.0 128.5 88.3-156.6 28.1 -4.6 14.0 3 3 A N - 0 0 29 -2,-0.2 2,-0.7 1,-0.1 168,-0.2 0.574 57.7-105.8 82.8 137.1 30.3 -4.7 10.8 4 4 A D E -A 170 0A 2 166,-2.7 166,-2.8 90,-0.1 2,-0.5 -0.820 32.7-162.6-102.5 112.1 29.4 -4.2 7.1 5 5 A N E -A 169 0A 49 -2,-0.7 2,-0.6 164,-0.2 164,-0.2 -0.830 6.7-171.8-104.8 126.8 29.2 -7.3 5.0 6 6 A I E -A 168 0A 9 162,-2.8 162,-2.2 -2,-0.5 -2,-0.0 -0.945 25.0-127.1-121.2 109.0 29.3 -7.2 1.2 7 7 A E E -A 167 0A 108 -2,-0.6 2,-0.5 160,-0.2 12,-0.5 -0.271 17.2-148.7 -58.8 128.8 28.7 -10.5 -0.6 8 8 A L E -AB 166 18A 0 158,-4.1 158,-1.9 149,-0.2 2,-0.4 -0.898 10.2-161.6-100.8 125.2 31.3 -11.5 -3.2 9 9 A V E - B 0 17A 77 8,-2.8 8,-2.5 -2,-0.5 2,-0.2 -0.879 14.6-129.9-106.7 137.6 30.0 -13.5 -6.1 10 10 A D E - B 0 16A 30 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.613 11.5-158.7 -86.5 147.1 32.5 -15.5 -8.3 11 11 A F E >> - B 0 15A 63 4,-2.9 4,-1.7 -2,-0.2 3,-1.0 -0.947 66.6 -52.2-126.3 109.0 32.7 -15.4 -12.1 12 12 A Q T 34 S- 0 0 121 -2,-0.4 2,-3.3 1,-0.3 4,-0.1 0.767 93.6 -72.9 22.2 73.2 34.3 -18.5 -13.7 13 13 A N T 34 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.222 123.2 90.6 39.9 -13.1 37.5 -18.5 -11.6 14 14 A I T <4 S- 0 0 111 -2,-3.3 2,-0.3 -3,-1.0 -1,-0.2 0.948 99.1 -15.9 -73.5 -49.8 38.9 -15.4 -13.4 15 15 A M E < -B 11 0A 21 -4,-1.7 -4,-2.9 288,-0.0 2,-0.3 -0.893 53.4-135.5-146.2 175.0 37.3 -12.8 -11.1 16 16 A F E -B 10 0A 1 -2,-0.3 17,-0.5 -6,-0.2 2,-0.3 -0.959 19.7-157.0-135.3 157.7 34.8 -12.0 -8.3 17 17 A Y E -B 9 0A 19 -8,-2.5 -8,-2.8 -2,-0.3 2,-0.3 -0.906 6.0-158.7-136.7 150.8 32.5 -9.0 -8.0 18 18 A G E -BC 8 31A 2 13,-2.2 13,-2.9 -2,-0.3 2,-0.4 -0.946 23.5-115.0-129.7 157.0 30.5 -7.1 -5.3 19 19 A D E + C 0 30A 96 -12,-0.5 75,-0.5 -2,-0.3 2,-0.3 -0.721 35.4 163.2 -91.8 135.6 27.5 -4.8 -5.4 20 20 A A E -DC 93 29A 3 9,-1.6 9,-2.4 -2,-0.4 2,-0.3 -0.943 22.3-138.8-139.9 164.7 27.5 -1.2 -4.6 21 21 A E E -DC 92 28A 42 71,-2.4 71,-3.3 -2,-0.3 2,-0.4 -0.944 5.6-153.8-129.3 151.7 25.1 1.7 -5.3 22 22 A V E > +DC 91 27A 0 5,-2.1 5,-2.7 -2,-0.3 69,-0.2 -0.954 57.6 10.9-126.2 141.4 25.4 5.3 -6.3 23 23 A G T > 5S- 0 0 0 67,-1.2 3,-1.5 -2,-0.4 4,-0.2 0.185 89.9 -82.3 75.2 163.1 23.1 8.3 -5.7 24 24 A D T 3 5S+ 0 0 48 1,-0.3 -1,-0.2 2,-0.1 39,-0.1 0.480 127.1 66.6 -86.6 2.5 20.1 8.4 -3.3 25 25 A N T 3 5S- 0 0 68 -3,-0.2 -1,-0.3 2,-0.0 -2,-0.1 0.424 113.9-121.0 -89.5 -2.6 17.9 6.8 -5.9 26 26 A Q T < 5 - 0 0 84 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.960 29.9-161.0 68.6 57.5 20.2 3.8 -5.3 27 27 A Q E < -C 22 0A 19 -5,-2.7 -5,-2.1 -4,-0.2 2,-0.3 -0.600 17.9-131.9 -73.4 119.6 21.6 3.2 -8.8 28 28 A P E +C 21 0A 79 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.561 30.8 172.0 -83.0 132.1 23.0 -0.4 -8.8 29 29 A F E -C 20 0A 4 -9,-2.4 -9,-1.6 -2,-0.3 2,-0.5 -0.944 30.6-130.0-132.3 157.4 26.4 -1.3 -10.1 30 30 A T E -C 19 0A 31 -2,-0.3 92,-2.7 -11,-0.2 91,-2.3 -0.944 35.7-163.7-104.4 125.3 28.7 -4.4 -10.3 31 31 A F E -Ce 18 122A 1 -13,-2.9 -13,-2.2 -2,-0.5 2,-0.5 -0.899 26.9-134.2-119.4 142.3 32.2 -3.6 -9.0 32 32 A I E - e 0 123A 20 90,-2.3 92,-3.0 -2,-0.4 2,-0.9 -0.777 27.8-142.6 -77.9 124.1 35.7 -5.0 -9.1 33 33 A L E - e 0 124A 7 -2,-0.5 2,-0.6 -17,-0.5 92,-0.2 -0.820 27.5-175.0 -97.7 100.7 37.0 -4.7 -5.5 34 34 A D E > - e 0 125A 23 90,-2.3 92,-1.8 -2,-0.9 3,-1.2 -0.858 29.6-176.1-116.9 108.3 40.6 -3.9 -6.1 35 35 A T T 3 S+ 0 0 2 -2,-0.6 158,-0.3 1,-0.3 93,-0.1 0.571 85.7 66.1 -78.6 -4.4 43.2 -3.5 -3.4 36 36 A G T 3 S+ 0 0 17 156,-0.1 2,-0.3 91,-0.1 -1,-0.3 0.202 100.9 50.0-100.9 12.2 45.8 -2.4 -6.0 37 37 A S < - 0 0 26 -3,-1.2 90,-2.0 87,-0.1 89,-1.5 -0.977 63.8-147.1-146.8 162.4 44.0 0.8 -6.9 38 38 A A + 0 0 11 93,-0.5 2,-0.3 -2,-0.3 95,-0.2 -0.080 62.7 76.4-127.4 37.6 42.6 3.9 -5.1 39 39 A N - 0 0 6 93,-0.1 86,-2.4 92,-0.1 2,-0.7 -0.983 66.8-124.7-144.2 155.0 39.6 5.3 -6.9 40 40 A L E -F 124 0A 1 61,-0.4 63,-3.4 -2,-0.3 2,-0.5 -0.906 29.8-167.3 -99.2 115.0 35.9 4.6 -7.6 41 41 A W E +Fg 123 103A 42 82,-3.5 82,-1.2 -2,-0.7 63,-0.2 -0.923 8.1 178.6-106.4 124.2 35.3 4.4 -11.3 42 42 A V E - g 0 104A 0 61,-2.9 63,-3.6 -2,-0.5 2,-0.4 -0.994 28.8-120.8-127.5 132.1 31.7 4.5 -12.5 43 43 A P E - g 0 105A 2 0, 0.0 15,-2.9 0, 0.0 63,-0.1 -0.567 32.1-136.9 -72.7 126.5 30.3 4.5 -16.2 44 44 A S B > -n 58 0B 0 61,-2.6 3,-1.3 -2,-0.4 15,-0.2 -0.330 17.1-126.4 -81.2 157.5 28.2 7.5 -17.1 45 45 A V T 3 S+ 0 0 57 13,-2.2 14,-0.1 1,-0.2 -1,-0.1 0.827 114.3 65.5 -65.3 -30.8 24.9 7.7 -19.0 46 46 A K T 3 S+ 0 0 134 12,-0.3 2,-0.7 59,-0.1 -1,-0.2 0.372 80.3 99.6 -69.6 2.0 26.9 10.3 -21.2 47 47 A a < + 0 0 1 -3,-1.3 2,-0.2 58,-0.1 60,-0.1 -0.851 47.6 174.5 -92.9 117.5 29.1 7.3 -22.2 48 48 A T + 0 0 114 -2,-0.7 2,-0.4 58,-0.4 -1,-0.1 -0.574 30.1 119.6-125.5 66.9 28.0 6.1 -25.6 49 49 A T S >> S- 0 0 24 -2,-0.2 4,-1.6 57,-0.0 3,-1.0 -0.948 77.3 -86.2-121.6 150.7 30.5 3.4 -26.7 50 50 A A T 34 S+ 0 0 83 -2,-0.4 2,-0.2 1,-0.2 66,-0.1 -0.329 120.6 29.2 -50.2 123.7 29.8 -0.2 -27.5 51 51 A G T >> S+ 0 0 2 65,-0.1 3,-1.7 64,-0.1 4,-1.3 -0.403 106.5 69.2 115.2 -58.2 29.9 -1.9 -24.1 52 52 A a T <4 S+ 0 0 0 -3,-1.0 3,-0.4 1,-0.3 -2,-0.2 0.888 98.0 58.9 -48.5 -40.4 28.9 1.1 -22.0 53 53 A L T 3< S+ 0 0 129 -4,-1.6 -1,-0.3 1,-0.2 -3,-0.1 0.560 106.3 45.6 -68.5 -11.2 25.6 0.3 -23.8 54 54 A T T <4 S+ 0 0 96 -3,-1.7 -1,-0.2 2,-0.1 -2,-0.2 0.586 105.5 81.2 -97.8 -19.8 25.8 -3.2 -22.2 55 55 A K S < S- 0 0 19 -4,-1.3 2,-0.3 -3,-0.4 66,-0.1 -0.416 90.2 -99.4 -87.2 158.0 26.6 -1.9 -18.7 56 56 A H - 0 0 108 -2,-0.1 2,-0.3 -26,-0.1 -26,-0.1 -0.594 51.3-147.7 -66.9 137.4 24.5 -0.4 -15.9 57 57 A L - 0 0 50 -2,-0.3 2,-0.4 -15,-0.1 -13,-0.2 -0.864 8.5-121.4-123.5 148.9 25.0 3.3 -16.2 58 58 A Y B -n 44 0B 0 -15,-2.9 -13,-2.2 -2,-0.3 2,-0.5 -0.717 19.6-170.4 -89.3 132.9 25.1 6.3 -13.9 59 59 A D > - 0 0 42 -2,-0.4 3,-1.5 -15,-0.2 4,-0.2 -0.872 7.1-173.0-124.5 99.0 22.6 9.1 -14.2 60 60 A S G > S+ 0 0 18 -2,-0.5 3,-2.3 1,-0.3 6,-0.3 0.860 82.7 65.3 -52.6 -40.8 23.4 12.2 -12.1 61 61 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.665 96.7 55.4 -63.3 -17.5 20.1 13.9 -13.0 62 62 A K G < S+ 0 0 144 -3,-1.5 2,-0.6 1,-0.1 -1,-0.3 0.482 95.4 84.9 -89.8 -0.7 18.1 11.2 -11.2 63 63 A S X - 0 0 9 -3,-2.3 3,-1.8 -4,-0.2 -1,-0.1 -0.883 59.6-161.8-117.4 108.8 20.0 11.8 -7.9 64 64 A R T 3 S+ 0 0 227 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.0 0.708 94.5 51.9 -52.8 -26.1 19.0 14.5 -5.4 65 65 A T T 3 S+ 0 0 57 25,-0.1 -1,-0.3 -5,-0.1 -42,-0.1 0.460 74.6 129.4-100.2 -2.0 22.5 14.3 -3.8 66 66 A Y < - 0 0 62 -3,-1.8 2,-0.4 -6,-0.3 23,-0.2 -0.238 39.5-164.9 -50.0 136.7 24.6 14.7 -7.0 67 67 A E E -H 88 0A 104 21,-2.4 21,-1.2 0, 0.0 -1,-0.1 -0.858 17.3-128.8-136.6 98.4 27.2 17.4 -6.4 68 68 A K E +H 87 0A 169 -2,-0.4 19,-0.1 19,-0.2 18,-0.0 -0.007 42.4 151.5 -47.3 145.2 29.0 18.7 -9.5 69 69 A D E - 0 0 54 17,-0.6 2,-1.7 2,-0.0 18,-0.2 0.317 19.5-175.2-149.5 -28.6 32.8 18.8 -9.5 70 70 A G E + 0 0 34 16,-0.6 17,-0.1 15,-0.2 3,-0.1 0.277 17.8 161.5 50.7 -9.4 33.5 18.4 -13.2 71 71 A T E - 0 0 78 -2,-1.7 15,-2.5 14,-0.2 -1,-0.1 -0.213 45.4-112.0 -52.0 117.8 37.3 18.2 -12.7 72 72 A K E -H 85 0A 118 13,-0.2 2,-0.4 -3,-0.1 13,-0.3 -0.197 31.2-166.1 -58.6 133.4 38.7 16.6 -15.9 73 73 A V E +H 84 0A 8 11,-3.5 11,-3.3 31,-0.1 2,-0.4 -0.962 8.9 176.9-126.4 116.0 40.3 13.1 -15.6 74 74 A E E +H 83 0A 52 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.960 4.4 176.6-119.7 130.4 42.4 11.8 -18.5 75 75 A M E -H 82 0A 52 7,-1.8 7,-2.6 -2,-0.4 2,-1.6 -0.788 18.2-154.2-139.6 92.1 44.2 8.4 -18.4 76 76 A N E -H 81 0A 69 -2,-0.3 5,-0.2 5,-0.2 3,-0.2 -0.505 24.5-170.2 -70.1 89.4 46.1 7.3 -21.5 77 77 A Y E > -H 80 0A 113 -2,-1.6 3,-0.8 3,-0.7 2,-0.4 -0.212 48.7 -49.7 -74.8 170.4 45.9 3.5 -21.0 78 78 A V T 3 S- 0 0 125 1,-0.2 -1,-0.2 32,-0.1 3,-0.0 -0.220 121.1 -27.4 -53.7 100.4 48.0 1.0 -23.2 79 79 A S T 3 S+ 0 0 107 -2,-0.4 -1,-0.2 -3,-0.2 2,-0.1 0.981 133.1 52.6 48.7 78.4 47.1 2.3 -26.7 80 80 A G E < S-H 77 0A 25 -3,-0.8 -3,-0.7 31,-0.1 30,-0.3 -0.293 83.2-111.0 135.3 133.7 43.7 3.9 -26.1 81 81 A T E -H 76 0A 68 28,-0.2 2,-0.5 -5,-0.2 28,-0.3 -0.664 12.2-157.3 -97.1 144.5 42.5 6.4 -23.6 82 82 A V E +H 75 0A 12 -7,-2.6 -7,-1.8 -2,-0.3 2,-0.3 -0.992 30.0 172.6-110.0 123.4 40.1 6.1 -20.6 83 83 A S E +HI 74 107A 38 24,-1.9 24,-2.5 -2,-0.5 23,-2.4 -0.965 12.9 125.0-138.4 151.6 38.7 9.5 -19.7 84 84 A G E -HI 73 105A 7 -11,-3.3 -11,-3.5 -2,-0.3 2,-0.3 -0.912 41.4-104.5-172.4-163.6 36.1 11.1 -17.4 85 85 A F E -HI 72 104A 29 19,-2.1 19,-2.2 -2,-0.3 -13,-0.2 -0.968 35.8 -90.6-143.2 157.0 35.6 13.7 -14.7 86 86 A F E + I 0 103A 6 -15,-2.5 -16,-0.6 -2,-0.3 -17,-0.6 -0.372 41.7 173.4 -68.7 142.7 35.2 13.9 -11.0 87 87 A S E -HI 68 102A 0 15,-2.6 15,-2.4 -18,-0.2 2,-0.4 -0.968 20.9-142.6-139.7 156.7 31.7 13.8 -9.3 88 88 A K E +HI 67 101A 62 -21,-1.2 -21,-2.4 -2,-0.3 2,-0.3 -0.984 36.1 136.5-119.5 137.2 30.5 13.6 -5.7 89 89 A D E - 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