==== 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 TRANSFERASE 17-JUL-05 2ABW . COMPND 2 MOLECULE: PDX2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR M.GENGENBACHER,T.B.FITZPATRICK,T.RASCHLE,K.FLICKER,I.SINNING . 442 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 13.6 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 3 1 2 2 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 0 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 PARALLEL BRIDGES PER LADDER . 0 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 2 0 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 2 A S 0 0 87 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.6 10.6 62.9 43.7 2 3 A E - 0 0 123 27,-0.1 2,-0.4 2,-0.0 27,-0.2 -0.942 360.0-169.3-106.1 125.1 13.3 64.5 41.5 3 4 A I E -a 29 0A 4 25,-2.7 27,-2.7 -2,-0.6 2,-0.5 -0.912 3.3-161.8-112.5 130.3 12.5 64.7 37.7 4 5 A T E -a 30 0A 23 -2,-0.4 40,-2.8 25,-0.2 41,-1.1 -0.975 6.0-173.9-114.0 120.7 15.2 65.7 35.3 5 6 A I E -ab 31 45A 0 25,-2.3 27,-2.0 -2,-0.5 2,-0.3 -0.963 12.5-152.0-109.7 130.6 14.4 66.9 31.8 6 7 A G E -ab 32 46A 0 39,-2.7 41,-2.6 -2,-0.5 2,-0.5 -0.709 5.2-152.6-100.8 152.6 17.2 67.5 29.4 7 8 A V E -ab 33 47A 0 25,-2.2 27,-2.4 -2,-0.3 41,-0.2 -0.989 25.9-122.2-121.8 118.1 17.3 69.9 26.4 8 9 A L E +a 34 0A 0 39,-3.1 27,-0.2 -2,-0.5 25,-0.0 -0.409 37.6 174.4 -58.6 130.8 19.6 69.0 23.5 9 10 A S > + 0 0 8 25,-2.3 3,-1.6 2,-0.1 5,-0.2 0.458 43.9 100.4-126.5 -1.6 22.0 72.0 23.3 10 11 A L T 3 S+ 0 0 54 24,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.780 84.3 52.7 -59.1 -34.3 24.7 71.3 20.8 11 12 A Q T 3 S- 0 0 35 1,-0.2 -1,-0.3 38,-0.1 40,-0.1 0.474 106.0-132.0 -84.0 -6.6 23.0 73.3 18.0 12 13 A G S < S+ 0 0 26 -3,-1.6 -1,-0.2 1,-0.1 -2,-0.1 -0.201 78.6 83.8 80.9 178.4 22.7 76.5 20.2 13 14 A D + 0 0 151 1,-0.1 4,-0.2 -3,-0.1 37,-0.2 0.780 59.8 123.1 55.0 33.5 19.7 78.7 20.8 14 15 A F >> + 0 0 29 -5,-0.2 4,-1.8 1,-0.1 3,-0.8 0.613 41.1 87.1 -98.9 -18.8 18.5 76.3 23.4 15 16 A E H 3> S+ 0 0 123 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.891 84.1 55.8 -56.0 -42.5 18.2 78.7 26.4 16 17 A P H 3> S+ 0 0 59 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.852 106.2 52.4 -61.3 -30.7 14.7 79.9 25.7 17 18 A H H <> S+ 0 0 5 -3,-0.8 4,-1.2 -4,-0.2 -2,-0.2 0.913 110.7 46.6 -67.5 -42.0 13.5 76.4 25.8 18 19 A I H >X S+ 0 0 30 -4,-1.8 4,-2.2 1,-0.2 3,-0.6 0.943 110.8 53.2 -59.9 -48.6 15.1 75.8 29.2 19 20 A N H 3X S+ 0 0 93 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.876 103.0 58.5 -54.8 -41.8 13.6 79.1 30.4 20 21 A H H 3< S+ 0 0 7 -4,-1.7 -1,-0.2 -5,-0.2 4,-0.2 0.835 107.8 44.8 -66.3 -29.1 10.2 78.0 29.4 21 22 A F H X< S+ 0 0 1 -4,-1.2 3,-1.4 -3,-0.6 5,-0.4 0.860 109.6 55.0 -76.6 -37.9 10.4 75.0 31.6 22 23 A I H >< S+ 0 0 77 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.874 97.5 66.5 -58.3 -31.8 11.8 77.0 34.5 23 24 A K T 3< S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.645 84.3 72.6 -65.3 -20.2 8.7 79.2 34.1 24 25 A L T < S- 0 0 27 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.750 89.3-151.8 -59.9 -27.4 6.6 76.2 35.2 25 26 A Q < + 0 0 147 -3,-2.0 -2,-0.1 -4,-0.3 -3,-0.1 0.825 31.5 164.1 57.4 37.3 8.0 76.8 38.8 26 27 A I > - 0 0 44 -5,-0.4 3,-2.6 1,-0.1 -1,-0.2 -0.767 34.5-146.1 -94.4 114.4 7.6 73.1 39.7 27 28 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.738 94.6 50.4 -46.5 -43.3 9.6 72.2 42.7 28 29 A S T 3 S+ 0 0 39 -26,-0.1 -25,-2.7 2,-0.0 2,-0.5 0.464 92.0 101.6 -75.8 -8.1 10.5 68.6 41.7 29 30 A L E < +a 3 0A 18 -3,-2.6 2,-0.4 -27,-0.2 -25,-0.2 -0.722 42.2 177.2 -97.6 126.6 11.8 69.7 38.2 30 31 A N E -a 4 0A 58 -27,-2.7 -25,-2.3 -2,-0.5 2,-0.4 -0.945 14.0-154.1-113.9 140.8 15.5 70.1 37.2 31 32 A I E -a 5 0A 30 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.931 13.8-177.9-117.5 136.6 16.6 71.0 33.6 32 33 A I E -a 6 0A 43 -27,-2.0 -25,-2.2 -2,-0.4 2,-0.3 -0.952 29.0-116.5-128.5 152.9 19.9 70.2 32.1 33 34 A Q E -a 7 0A 72 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.614 27.4-147.0 -73.5 148.5 21.6 70.8 28.9 34 35 A V E +a 8 0A 0 -27,-2.4 -25,-2.3 -2,-0.3 -24,-0.6 -0.970 38.3 145.8-120.7 117.3 22.4 67.6 27.0 35 36 A R + 0 0 122 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.409 67.5 11.6-124.3 -9.1 25.6 67.6 25.0 36 37 A N S > S- 0 0 59 31,-0.1 4,-2.0 30,-0.0 -1,-0.2 -0.941 86.7 -84.2-162.6 176.4 26.7 64.0 25.3 37 38 A V H > S+ 0 0 65 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.798 120.7 58.3 -68.3 -30.3 25.7 60.5 26.3 38 39 A H H > S+ 0 0 135 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.963 109.6 44.4 -61.0 -50.0 26.6 61.1 30.0 39 40 A D H >4 S+ 0 0 9 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.911 111.4 54.2 -58.7 -44.6 24.2 64.0 30.1 40 41 A L H >< S+ 0 0 8 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.881 101.0 60.5 -60.6 -39.4 21.5 61.9 28.3 41 42 A G H 3< S+ 0 0 57 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.660 100.5 54.3 -60.5 -21.3 21.9 59.2 30.9 42 43 A L T << S+ 0 0 97 -3,-1.4 2,-0.4 -4,-0.6 -1,-0.3 0.472 90.8 101.3 -88.1 -5.3 20.8 61.5 33.6 43 44 A C < - 0 0 0 -3,-1.5 -38,-0.2 -4,-0.3 3,-0.1 -0.696 48.5-172.0 -92.5 136.5 17.5 62.4 31.8 44 45 A D S S+ 0 0 14 -40,-2.8 2,-0.3 -2,-0.4 -39,-0.2 0.659 87.8 3.9 -88.0 -24.8 14.1 61.1 32.6 45 46 A G E S-b 5 0A 0 -41,-1.1 -39,-2.7 35,-0.1 2,-0.4 -0.970 72.4-144.9-150.7 164.8 12.9 62.9 29.4 46 47 A L E -bc 6 82A 0 35,-2.0 37,-2.4 -2,-0.3 2,-0.5 -0.992 2.5-153.4-139.4 140.8 14.5 64.9 26.6 47 48 A V E -bc 7 83A 0 -41,-2.6 -39,-3.1 -2,-0.4 37,-0.2 -0.957 7.4-164.8-108.9 131.1 13.5 67.9 24.4 48 49 A I E + c 0 84A 1 35,-3.1 37,-2.4 -2,-0.5 40,-0.3 -0.937 21.5 163.6-112.2 107.3 15.1 68.2 20.9 49 50 A P + 0 0 0 0, 0.0 2,-0.1 0, 0.0 37,-0.1 -0.138 6.1 131.3 -98.8-160.1 14.5 71.8 19.6 50 51 A G - 0 0 14 -37,-0.2 37,-2.5 37,-0.1 38,-0.3 -0.339 54.2-121.8 131.6 155.5 16.3 73.6 16.7 51 52 A G S S+ 0 0 36 1,-0.2 2,-0.5 35,-0.2 -1,-0.1 0.771 99.6 42.1 -88.4 -35.5 15.8 75.6 13.7 52 53 A E >> - 0 0 91 1,-0.1 4,-1.9 -41,-0.1 3,-0.6 -0.932 60.0-160.9-127.0 116.1 17.6 73.2 11.3 53 54 A S H 3> S+ 0 0 2 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.824 93.6 55.9 -59.9 -39.4 17.3 69.5 11.4 54 55 A T H 3> S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.888 107.1 50.4 -66.1 -35.7 20.5 68.9 9.5 55 56 A T H <> S+ 0 0 52 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.954 111.0 46.6 -64.8 -47.6 22.5 70.9 12.0 56 57 A V H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.942 112.7 51.7 -61.6 -42.8 21.2 69.1 15.0 57 58 A R H >< S+ 0 0 0 -4,-2.3 3,-0.5 1,-0.2 4,-0.4 0.916 107.7 50.2 -63.0 -42.6 21.8 65.7 13.3 58 59 A R H >< S+ 0 0 109 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.897 104.8 59.2 -61.3 -36.8 25.4 66.6 12.4 59 60 A C H >< S+ 0 0 11 -4,-2.0 3,-0.5 1,-0.3 -1,-0.2 0.812 106.2 49.0 -59.1 -31.0 25.9 67.5 16.1 60 61 A C T << S+ 0 0 1 -4,-1.3 8,-1.7 -3,-0.5 7,-0.4 0.480 95.5 75.7 -86.0 -1.6 24.9 64.0 17.0 61 62 A A T X> + 0 0 24 -3,-1.4 4,-2.2 -4,-0.4 3,-0.5 0.535 64.8 121.9 -90.6 -7.4 27.2 62.4 14.5 62 63 A Y H <>>S+ 0 0 139 -3,-0.5 4,-1.5 -4,-0.3 5,-0.6 -0.187 72.8 17.6 -61.6 146.6 30.4 62.9 16.4 63 64 A E H 345S- 0 0 166 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.930 141.5 -48.3 56.4 51.6 32.6 59.9 17.3 64 65 A N H <45S- 0 0 137 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.911 109.0 -52.2 61.5 47.0 30.9 57.6 14.7 65 66 A D H X5S+ 0 0 15 -4,-2.2 4,-2.9 -7,-0.1 5,-0.3 0.757 86.5 152.8 63.2 34.4 27.4 58.5 15.7 66 67 A T H X5S+ 0 0 58 -4,-1.5 4,-1.9 -3,-0.3 5,-0.1 0.940 76.7 37.2 -61.4 -50.2 27.8 57.8 19.4 67 68 A L H > S+ 0 0 0 -8,-1.7 4,-2.6 2,-0.2 5,-0.2 0.965 110.2 45.5 -52.5 -52.6 22.8 59.4 17.6 69 70 A N H X S+ 0 0 25 -4,-2.9 4,-2.2 -9,-0.2 -1,-0.2 0.919 113.0 50.6 -64.1 -36.4 22.9 55.7 18.5 70 71 A A H X S+ 0 0 26 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.886 110.2 50.0 -67.5 -38.7 22.3 56.6 22.2 71 72 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.927 110.0 50.6 -62.9 -42.8 19.3 58.8 21.2 72 73 A V H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.910 112.9 45.9 -61.1 -47.8 17.8 55.9 19.1 73 74 A H H X>S+ 0 0 14 -4,-2.2 5,-2.5 -5,-0.2 4,-2.1 0.908 111.3 52.3 -60.5 -43.6 18.2 53.6 22.0 74 75 A F H <5S+ 0 0 4 -4,-2.5 6,-2.2 1,-0.2 5,-0.2 0.929 117.4 39.2 -58.5 -44.5 16.7 56.2 24.5 75 76 A I H <5S+ 0 0 0 -4,-2.5 -1,-0.2 4,-0.2 110,-0.2 0.884 128.7 25.1 -71.0 -47.8 13.7 56.6 22.2 76 77 A H H <5S+ 0 0 11 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.727 130.3 29.1-106.9 -19.3 13.0 53.1 21.0 77 78 A V T <5S+ 0 0 26 -4,-2.1 -3,-0.2 -5,-0.4 -4,-0.1 0.827 130.7 32.5-105.3 -54.6 14.4 50.7 23.6 78 79 A L S - d 0 189A 2 -37,-2.4 3,-2.2 -2,-0.6 2,-0.3 -0.953 57.4 -37.6-123.5 132.0 10.0 70.6 18.4 86 87 A C T >> S+ 0 0 6 103,-2.3 4,-1.9 -2,-0.4 3,-0.6 -0.339 145.5 16.8 53.2-109.5 10.5 72.2 15.0 87 88 A A H 3> S+ 0 0 1 -37,-2.5 4,-2.2 -2,-0.3 -1,-0.3 0.873 130.2 53.8 -50.8 -40.6 13.8 70.5 13.9 88 89 A G H <> S+ 0 0 0 -3,-2.2 4,-0.7 -40,-0.3 -1,-0.3 0.809 104.2 55.0 -63.9 -37.3 13.4 67.9 16.6 89 90 A C H X4 S+ 0 0 0 -3,-0.6 3,-0.9 100,-0.3 4,-0.4 0.933 108.3 49.1 -61.0 -43.2 9.9 67.1 15.2 90 91 A I H >< S+ 0 0 10 -4,-1.9 3,-1.7 1,-0.2 -2,-0.2 0.941 108.4 53.7 -57.5 -45.4 11.6 66.5 11.8 91 92 A L H 3< S+ 0 0 0 -4,-2.2 20,-3.2 1,-0.3 21,-0.9 0.543 107.2 51.1 -75.4 -7.5 14.2 64.3 13.4 92 93 A L T << S+ 0 0 0 -3,-0.9 22,-3.1 -4,-0.7 -1,-0.3 0.449 92.0 106.3 -91.1 -11.7 11.5 62.0 15.0 93 94 A S E < -h 114 0B 0 -3,-1.7 19,-0.3 -4,-0.4 22,-0.2 -0.486 65.9-142.7 -79.8 150.1 9.7 61.6 11.8 94 95 A K E S+ 0 0 73 20,-1.6 2,-0.5 22,-0.6 23,-0.2 0.949 90.7 29.6 -69.5 -51.6 9.7 58.4 9.6 95 96 A N E S-h 117 0B 66 21,-2.0 23,-2.7 2,-0.0 2,-0.5 -0.962 71.6-165.7-115.7 123.0 9.7 60.1 6.2 96 97 A V E -h 118 0B 33 -2,-0.5 2,-0.3 21,-0.2 23,-0.2 -0.966 8.6-168.9-107.6 129.1 11.4 63.4 5.8 97 98 A E E +h 119 0B 66 21,-3.2 23,-2.5 -2,-0.5 24,-0.4 -0.844 59.3 11.2-118.8 145.1 10.8 65.5 2.6 98 99 A N + 0 0 85 -2,-0.3 24,-0.2 21,-0.2 -1,-0.2 0.706 69.1 136.5 69.3 23.5 12.5 68.5 1.1 99 100 A I - 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