==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS/OXIDOREDUCTASE 30-MAY-06 2H66 . COMPND 2 MOLECULE: PV-PF14_0368; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR A.K.WERNIMONT,A.DONG,Y.ZHAO,J.LEW,M.MELONE,I.KOZIERADZKI, . 1684 10 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1205 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 314 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 30 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 132 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 176 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 355 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.8 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 0 11 8 1 17 3 0 0 1 1 0 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 0 10 0 10 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 . 10 16 4 0 25 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 0 0 0 0 0 0 0 0 0 0 0 0 1 4 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 2 A P 0 0 150 0, 0.0 284,-0.1 0, 0.0 278,-0.1 0.000 360.0 360.0 360.0 125.8 34.1 -6.6 57.7 2 3 A T - 0 0 10 282,-0.3 281,-0.1 1,-0.1 280,-0.0 -0.163 360.0-140.4 -63.7 159.7 34.1 -9.1 60.6 3 4 A Y > + 0 0 16 3,-0.1 3,-2.1 110,-0.1 132,-0.5 0.265 62.0 124.7 -98.8 4.2 31.0 -10.2 62.4 4 5 A V B 3 S+a 135 0A 0 1,-0.3 132,-0.2 130,-0.1 3,-0.1 -0.548 82.7 14.6 -69.9 126.9 32.8 -10.2 65.8 5 6 A G T 3 S+ 0 0 15 130,-2.9 -1,-0.3 1,-0.4 2,-0.2 0.503 121.4 80.8 84.1 4.2 30.7 -8.0 68.1 6 7 A K S < S- 0 0 99 -3,-2.1 129,-1.8 129,-0.2 -1,-0.4 -0.630 98.8 -54.7-122.9-173.9 27.8 -8.1 65.6 7 8 A E B -P 134 0B 139 127,-0.2 127,-0.2 -2,-0.2 126,-0.1 -0.438 60.0-113.7 -66.7 134.9 25.1 -10.6 64.9 8 9 A A - 0 0 9 125,-2.6 -1,-0.1 -2,-0.2 105,-0.1 -0.486 40.2 -97.7 -69.0 139.0 26.4 -14.1 64.1 9 10 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.302 45.1-107.9 -60.4 140.8 25.7 -15.1 60.5 10 11 A F + 0 0 111 -3,-0.1 2,-0.3 16,-0.1 102,-0.1 -0.393 42.5 174.7 -67.1 143.1 22.7 -17.3 60.2 11 12 A F - 0 0 5 -2,-0.1 16,-1.3 2,-0.0 17,-0.4 -0.948 17.8-171.3-140.4 167.9 23.1 -21.1 59.5 12 13 A K E +B 26 0A 122 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.879 24.2 166.1-158.7 113.1 20.7 -24.1 59.3 13 14 A A E -B 25 0A 6 12,-3.0 12,-2.8 -2,-0.3 2,-0.2 -0.959 39.7-108.4-138.8 154.9 22.3 -27.4 58.9 14 15 A E E -B 24 0A 80 89,-0.5 89,-2.9 -2,-0.4 2,-0.3 -0.534 47.3-174.3 -71.8 151.0 21.6 -31.1 59.2 15 16 A A E -BC 23 102A 0 8,-2.3 8,-1.3 87,-0.2 2,-0.6 -0.926 32.2-122.8-148.5 160.5 23.2 -32.7 62.2 16 17 A V E -BC 22 101A 1 85,-2.3 85,-2.0 -2,-0.3 6,-0.2 -0.965 34.5-150.2-111.1 116.3 23.9 -35.8 64.1 17 18 A F > - 0 0 61 4,-2.3 3,-1.9 -2,-0.6 82,-0.1 -0.259 29.9 -99.0 -81.3 169.0 22.5 -35.7 67.6 18 19 A G T 3 S+ 0 0 23 80,-0.6 81,-0.1 1,-0.3 -1,-0.1 0.833 122.8 57.6 -57.0 -38.0 24.0 -37.5 70.7 19 20 A D T 3 S- 0 0 122 79,-0.1 -1,-0.3 1,-0.1 79,-0.1 0.348 120.3-109.9 -75.6 2.3 21.5 -40.4 70.4 20 21 A N S < S+ 0 0 36 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.625 76.9 125.5 79.0 18.3 22.8 -41.0 66.9 21 22 A S - 0 0 49 1,-0.0 -4,-2.3 61,-0.0 -1,-0.3 -0.575 58.3-107.7-104.0 170.4 19.7 -39.8 65.0 22 23 A F E +B 16 0A 69 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.651 47.8 129.3-102.2 152.9 19.4 -37.2 62.3 23 24 A G E -B 15 0A 28 -8,-1.3 -8,-2.3 -2,-0.2 2,-0.3 -0.940 47.9 -91.2-174.3-172.3 17.8 -33.7 62.4 24 25 A E E -B 14 0A 102 -2,-0.3 2,-0.4 -10,-0.3 -10,-0.2 -0.915 26.0-168.2-120.8 150.4 18.3 -30.0 61.7 25 26 A V E -B 13 0A 2 -12,-2.8 -12,-3.0 -2,-0.3 2,-0.3 -0.987 6.2-173.2-131.2 142.6 19.8 -27.4 63.9 26 27 A N E > -B 12 0A 33 -2,-0.4 3,-2.5 -14,-0.2 4,-0.3 -0.998 34.0-120.8-139.7 142.6 19.6 -23.7 63.2 27 28 A L G > S+ 0 0 12 -16,-1.3 3,-2.1 -2,-0.3 4,-0.4 0.784 107.1 68.3 -44.1 -40.0 21.2 -20.7 64.9 28 29 A T G > S+ 0 0 78 -17,-0.4 3,-0.7 1,-0.3 -1,-0.3 0.747 84.2 73.2 -54.5 -30.1 17.7 -19.1 65.6 29 30 A Q G < S+ 0 0 90 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.752 98.9 46.1 -51.1 -29.3 16.9 -21.9 68.1 30 31 A F G X> S+ 0 0 18 -3,-2.1 4,-3.1 -4,-0.3 3,-1.9 0.623 75.6 118.1-101.9 -16.2 19.3 -20.5 70.7 31 32 A I T <4 S+ 0 0 78 -3,-0.7 101,-0.2 -4,-0.4 100,-0.1 -0.245 93.2 1.0 -60.7 139.2 18.7 -16.8 70.9 32 33 A G T 34 S+ 0 0 63 99,-4.2 -1,-0.3 1,-0.1 100,-0.1 0.698 130.1 71.0 53.7 22.4 17.5 -15.6 74.3 33 34 A K T <4 S- 0 0 133 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.568 104.0 -18.0-130.2 -58.7 17.8 -19.2 75.3 34 35 A K < - 0 0 43 -4,-3.1 -1,-0.3 96,-0.2 34,-0.2 -1.000 57.8 -98.2-154.6 163.6 21.5 -20.1 75.5 35 36 A Y E -d 68 0A 8 32,-1.9 34,-2.8 -2,-0.3 2,-0.5 -0.469 37.1-146.2 -64.7 144.1 25.2 -19.4 74.6 36 37 A V E -dE 69 129A 0 93,-2.4 93,-3.6 32,-0.2 2,-0.6 -0.972 12.6-167.0-115.6 130.5 26.5 -21.3 71.6 37 38 A L E -dE 70 128A 2 32,-2.9 34,-2.1 -2,-0.5 2,-0.5 -0.955 17.4-174.0-109.7 104.3 30.2 -22.5 71.3 38 39 A L E -dE 71 127A 0 89,-2.6 89,-2.6 -2,-0.6 2,-0.4 -0.885 0.1-171.0 -99.8 122.5 30.5 -23.6 67.6 39 40 A Y E -dE 72 126A 4 32,-2.5 34,-0.9 -2,-0.5 2,-0.4 -0.936 8.2-154.1-115.3 148.5 33.8 -25.2 66.6 40 41 A F E +dE 73 125A 2 85,-2.2 85,-1.7 -2,-0.4 34,-0.2 -0.878 13.8 174.1-110.3 145.0 35.1 -26.1 63.1 41 42 A Y - 0 0 13 32,-1.4 34,-0.4 -2,-0.4 81,-0.4 -0.956 32.7-121.4-144.2 157.0 37.6 -28.8 62.2 42 43 A P S S- 0 0 23 0, 0.0 33,-0.5 0, 0.0 80,-0.3 0.882 74.6 -1.4 -71.4 -46.3 38.6 -29.9 58.8 43 44 A L > - 0 0 25 31,-0.1 3,-0.5 78,-0.1 2,-0.2 -0.998 53.2-129.5-156.2 138.0 37.8 -33.6 58.3 44 45 A D T 3 S+ 0 0 0 -2,-0.3 547,-0.1 1,-0.2 3,-0.1 -0.522 91.5 31.4 -77.8 155.7 36.4 -36.7 59.9 45 46 A F T 3 S+ 0 0 20 1,-0.2 2,-0.2 47,-0.2 -1,-0.2 0.637 83.6 121.3 72.1 15.6 38.5 -39.9 59.8 46 47 A T < - 0 0 14 -3,-0.5 -1,-0.2 2,-0.2 -3,-0.0 -0.596 62.8-134.5 -91.0 166.7 42.0 -38.4 59.8 47 48 A F S S+ 0 0 134 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.632 76.4 104.3-103.6 -12.9 44.3 -39.4 62.6 48 49 A V S S- 0 0 42 1,-0.2 -2,-0.2 2,-0.1 288,-0.1 -0.545 100.9 -25.9 -52.8 115.3 45.5 -35.9 63.3 49 50 A a >> + 0 0 9 288,-1.1 3,-1.4 -2,-0.4 4,-0.5 0.495 69.0 147.2 64.2 24.4 43.7 -34.8 66.4 50 51 A P H 3> S+ 0 0 22 0, 0.0 4,-1.4 0, 0.0 3,-0.4 0.707 70.7 76.3 -68.5 -5.9 40.4 -36.7 67.0 51 52 A S H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.716 81.0 66.4 -73.0 -23.3 41.2 -36.4 70.7 52 53 A E H <> S+ 0 0 25 -3,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.889 104.8 43.3 -61.9 -39.5 40.2 -32.7 70.7 53 54 A I H X S+ 0 0 6 -4,-0.5 4,-1.6 -3,-0.4 -2,-0.2 0.880 113.6 49.0 -82.2 -32.1 36.6 -33.6 70.0 54 55 A I H X S+ 0 0 46 -4,-1.4 4,-2.9 1,-0.2 -2,-0.2 0.931 111.3 51.5 -70.7 -36.7 36.4 -36.5 72.5 55 56 A A H X S+ 0 0 32 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.801 107.0 53.0 -61.6 -36.0 38.0 -34.2 75.1 56 57 A L H < S+ 0 0 0 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.839 112.0 45.4 -71.6 -33.9 35.3 -31.5 74.5 57 58 A D H >< S+ 0 0 20 -4,-1.6 3,-2.8 1,-0.2 4,-0.3 0.918 104.9 60.3 -71.6 -43.8 32.6 -34.1 75.0 58 59 A K H 3< S+ 0 0 162 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.784 109.9 46.1 -49.3 -29.3 34.4 -35.4 78.1 59 60 A A T 3X S+ 0 0 15 -4,-0.8 4,-1.0 1,-0.2 3,-0.5 0.135 76.7 117.1-100.1 18.9 33.8 -31.9 79.4 60 61 A L H <> + 0 0 14 -3,-2.8 4,-1.9 1,-0.2 3,-0.5 0.832 68.8 59.7 -63.1 -35.7 30.2 -31.5 78.3 61 62 A D H > S+ 0 0 123 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.916 99.7 56.3 -57.7 -45.2 28.8 -31.0 81.8 62 63 A A H > S+ 0 0 21 -3,-0.5 4,-1.1 1,-0.2 -1,-0.3 0.833 107.7 51.5 -53.9 -34.5 31.0 -28.0 82.3 63 64 A F H X>S+ 0 0 0 -4,-1.0 5,-2.7 -3,-0.5 4,-0.7 0.913 107.0 49.9 -73.1 -41.1 29.3 -26.6 79.2 64 65 A H H ><5S+ 0 0 95 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.907 107.3 56.2 -65.2 -38.4 25.7 -27.2 80.5 65 66 A E H 3<5S+ 0 0 151 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.853 110.2 44.1 -56.8 -39.3 26.5 -25.5 83.8 66 67 A R H 3<5S- 0 0 48 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.545 117.7-117.4 -82.3 -6.9 27.6 -22.4 81.8 67 68 A N T <<5 + 0 0 55 -4,-0.7 -32,-1.9 -3,-0.7 2,-0.5 0.919 65.1 145.5 70.9 43.2 24.5 -22.8 79.7 68 69 A V E < -d 35 0A 0 -5,-2.7 2,-0.4 -34,-0.2 -1,-0.3 -0.973 43.7-144.4-115.5 125.9 26.4 -23.3 76.5 69 70 A E E -d 36 0A 39 -34,-2.8 -32,-2.9 -2,-0.5 2,-0.5 -0.732 18.6-144.0 -77.0 132.2 25.4 -25.6 73.7 70 71 A L E +d 37 0A 1 -2,-0.4 30,-1.0 -34,-0.2 2,-0.4 -0.908 22.3 176.6-101.9 124.4 28.4 -27.3 72.1 71 72 A L E -df 38 100A 0 -34,-2.1 -32,-2.5 -2,-0.5 2,-0.2 -0.995 12.6-160.8-129.5 125.2 28.2 -27.8 68.3 72 73 A G E -df 39 101A 0 28,-2.4 30,-3.3 -2,-0.4 2,-0.3 -0.661 13.7-172.2 -94.3 162.0 31.0 -29.3 66.2 73 74 A C E +df 40 102A 0 -34,-0.9 -32,-1.4 -2,-0.2 2,-0.3 -0.892 13.4 159.5-161.5 120.3 30.9 -28.7 62.4 74 75 A S E - f 0 103A 0 28,-1.5 30,-3.1 -2,-0.3 33,-0.1 -0.865 51.5-102.5-129.9 178.0 32.9 -29.9 59.5 75 76 A V S S+ 0 0 5 -33,-0.5 -32,-0.1 -34,-0.4 28,-0.1 0.553 85.9 107.1 -75.4 -7.4 32.4 -30.2 55.8 76 77 A D S S- 0 0 4 26,-0.2 28,-0.3 1,-0.1 -2,-0.2 -0.313 76.3-102.2 -69.9 155.3 31.6 -34.0 55.9 77 78 A S > - 0 0 4 26,-0.1 4,-2.4 27,-0.1 3,-0.4 -0.259 30.1-107.2 -67.7 164.1 28.0 -35.3 55.5 78 79 A K H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 121.6 58.0 -58.3 -35.6 25.8 -36.4 58.3 79 80 A Y H > S+ 0 0 49 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 105.6 47.4 -64.3 -36.1 26.4 -40.0 57.2 80 81 A T H > S+ 0 0 0 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.912 110.4 53.0 -73.7 -42.4 30.2 -39.6 57.6 81 82 A H H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.924 109.6 49.6 -52.2 -47.8 29.6 -38.1 61.0 82 83 A L H >X S+ 0 0 12 -4,-2.6 4,-1.7 1,-0.2 3,-0.7 0.946 109.7 49.6 -59.6 -50.3 27.5 -41.1 62.0 83 84 A A H 3< S+ 0 0 11 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.852 107.4 55.6 -56.6 -38.1 30.1 -43.6 60.8 84 85 A W H 3< S+ 0 0 5 -4,-1.9 10,-2.2 1,-0.2 11,-0.7 0.791 108.9 46.5 -67.9 -33.4 32.9 -41.8 62.7 85 86 A K H << S+ 0 0 4 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.780 110.1 55.0 -75.1 -29.4 30.9 -42.1 66.0 86 87 A K S < S+ 0 0 130 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.495 90.9 94.5 -84.6 -2.4 30.3 -45.7 65.2 87 88 A T S S- 0 0 25 -3,-0.4 8,-0.9 -4,-0.3 5,-0.1 -0.796 84.6-108.2 -95.7 127.1 34.0 -46.4 64.7 88 89 A P > > - 0 0 83 0, 0.0 5,-2.0 0, 0.0 3,-1.8 -0.179 25.1-117.0 -52.5 142.5 36.0 -47.7 67.7 89 90 A L G > 5S+ 0 0 131 1,-0.3 3,-0.6 3,-0.2 -2,-0.0 0.720 113.3 58.0 -46.0 -33.9 38.4 -45.3 69.5 90 91 A A G 3 5S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.732 103.1 50.4 -79.5 -24.0 41.3 -47.6 68.5 91 92 A K G < 5S- 0 0 150 -3,-1.8 -1,-0.2 0, 0.0 -2,-0.2 0.346 131.2 -93.8 -94.7 1.7 40.6 -47.4 64.8 92 93 A G T < 5S+ 0 0 7 -3,-0.6 -3,-0.2 -4,-0.4 -47,-0.2 0.525 79.8 138.6 102.3 7.4 40.5 -43.6 65.2 93 94 A G < - 0 0 4 -5,-2.0 -8,-0.2 1,-0.1 -1,-0.2 -0.062 54.5-129.3 -70.2 180.0 36.8 -43.0 65.7 94 95 A I - 0 0 3 -10,-2.2 -9,-0.2 1,-0.2 3,-0.2 0.404 38.7-141.2-114.9 0.1 35.3 -40.6 68.2 95 96 A G - 0 0 17 -8,-0.9 2,-2.4 -11,-0.7 -1,-0.2 0.016 52.3 -30.7 65.5-175.6 32.7 -42.9 69.9 96 97 A N S S- 0 0 118 -10,-0.1 -1,-0.2 2,-0.0 -11,-0.1 -0.310 71.1-178.2 -76.2 57.3 29.2 -42.0 71.1 97 98 A I - 0 0 5 -2,-2.4 -43,-0.1 -3,-0.2 -2,-0.1 -0.216 22.0-144.8 -48.0 146.1 29.9 -38.4 71.8 98 99 A K S S+ 0 0 143 -79,-0.1 -80,-0.6 2,-0.1 -79,-0.1 0.657 70.7 88.8 -93.3 -20.3 26.7 -36.7 73.3 99 100 A H S S- 0 0 4 -82,-0.1 2,-0.2 -81,-0.1 -28,-0.1 -0.404 84.8 -99.3 -80.6 161.2 27.2 -33.3 71.7 100 101 A T E - 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