==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-11 2Y8C . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR B.BARAGANA,O.MCCARTHY,P.SANCHEZ,C.BOSCH,M.KAISER,R.BRUN, . 404 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 29.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 52 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 0 0 3 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 . 0 0 0 3 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 . 0 2 9 3 3 6 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 . 3 4 5 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 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 M 0 0 34 0, 0.0 126,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 144.9 2.7 19.3 16.0 2 2 A H E -Ab 56 127A 44 54,-3.0 54,-3.2 124,-0.2 2,-0.4 -0.973 360.0-154.5-122.8 125.4 0.3 16.5 15.5 3 3 A L E -Ab 55 128A 0 124,-3.0 126,-1.8 -2,-0.5 2,-0.5 -0.809 1.9-158.1 -96.5 137.5 -1.7 16.1 12.3 4 4 A K E -Ab 54 129A 63 50,-2.6 50,-2.0 -2,-0.4 2,-0.4 -0.983 18.8-164.0-112.4 125.2 -5.0 14.3 12.2 5 5 A I E -Ab 53 130A 0 124,-2.4 126,-2.6 -2,-0.5 2,-0.6 -0.938 17.8-160.1-121.1 126.8 -5.8 13.1 8.7 6 6 A V E -A 52 0A 6 46,-1.8 46,-1.9 -2,-0.4 2,-0.4 -0.916 17.8-147.8 -95.5 116.2 -9.0 11.9 7.1 7 7 A C E -A 51 0A 23 -2,-0.6 44,-0.2 124,-0.4 43,-0.1 -0.734 6.6-144.9 -83.3 133.1 -8.4 9.8 3.9 8 8 A L S S+ 0 0 59 42,-3.1 2,-0.3 -2,-0.4 43,-0.1 0.464 77.3 20.4 -86.1 -2.8 -11.2 10.4 1.4 9 9 A S S > S- 0 0 56 41,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.974 79.6-110.4-152.1 166.5 -11.1 6.8 0.0 10 10 A D H > S+ 0 0 117 -2,-0.3 4,-2.2 2,-0.2 5,-0.1 0.781 116.7 58.0 -64.7 -33.0 -9.9 3.4 1.0 11 11 A E H > S+ 0 0 114 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 109.0 46.0 -69.3 -38.1 -7.2 3.5 -1.6 12 12 A V H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.946 109.2 54.3 -68.0 -41.1 -5.8 6.7 -0.0 13 13 A R H X S+ 0 0 87 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.922 105.9 55.0 -60.0 -38.4 -6.1 5.2 3.5 14 14 A E H X S+ 0 0 82 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.911 106.1 50.8 -61.8 -39.2 -4.0 2.3 2.2 15 15 A M H < S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.907 114.1 42.6 -65.1 -40.4 -1.2 4.7 1.0 16 16 A Y H >< S+ 0 0 3 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.765 108.6 58.3 -79.3 -27.0 -1.0 6.5 4.4 17 17 A K H 3< S+ 0 0 109 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.894 111.2 45.1 -62.0 -39.3 -1.1 3.3 6.5 18 18 A N T 3< S+ 0 0 112 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.173 84.8 163.6 -97.6 41.8 1.9 2.1 4.5 19 19 A H < + 0 0 26 -3,-1.0 2,-0.2 -2,-0.2 -1,-0.2 0.919 6.3 169.0 -75.0 140.4 3.9 5.4 4.8 20 20 A K + 0 0 185 1,-0.3 -1,-0.1 -4,-0.2 -4,-0.0 0.675 61.3 60.4-144.4 -23.8 7.5 5.1 4.0 21 21 A T S S+ 0 0 34 -2,-0.2 2,-0.4 9,-0.1 -1,-0.3 0.461 81.1 81.7-133.0 -7.7 8.7 7.7 3.8 22 22 A H + 0 0 49 -3,-0.1 2,-0.3 7,-0.1 4,-0.1 -0.860 49.7 167.3-107.9 133.8 8.4 9.6 7.1 23 23 A H - 0 0 118 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.852 44.6 -48.2-136.0 178.0 10.6 9.1 10.2 24 24 A E S S+ 0 0 168 -2,-0.3 2,-0.4 101,-0.1 -1,-0.2 -0.078 118.5 6.3 -41.7 133.2 11.7 10.3 13.4 25 25 A G S S+ 0 0 23 1,-0.2 101,-0.5 101,-0.1 -2,-0.1 -0.567 75.7 148.1 77.4-132.6 12.4 14.0 13.1 26 26 A D - 0 0 37 -2,-0.4 100,-1.4 99,-0.1 -1,-0.2 0.767 38.1-151.6 57.7 114.4 11.4 15.0 9.8 27 27 A S S S+ 0 0 5 98,-0.2 93,-0.6 92,-0.1 2,-0.4 0.605 81.4 51.7 -77.8 -12.4 10.2 18.7 9.7 28 28 A G E -D 119 0B 7 91,-0.1 2,-0.6 98,-0.1 91,-0.2 -0.972 69.6-146.8-129.9 141.5 8.0 17.9 6.7 29 29 A L E -D 118 0B 1 89,-2.4 89,-2.6 -2,-0.4 2,-0.1 -0.927 26.8-132.2-103.7 113.5 5.4 15.2 6.1 30 30 A D E -D 117 0B 18 -2,-0.6 2,-0.4 87,-0.3 87,-0.3 -0.389 17.4-149.9 -66.3 136.4 5.4 14.1 2.4 31 31 A L E -D 116 0B 1 85,-2.7 85,-0.7 -2,-0.1 84,-0.6 -0.855 12.7-126.4-103.5 146.2 2.0 14.0 0.7 32 32 A F E -D 114 0B 17 -2,-0.4 2,-0.4 17,-0.2 82,-0.2 -0.600 10.6-125.7 -87.6 145.4 1.1 11.6 -2.1 33 33 A I - 0 0 5 80,-2.5 79,-3.0 77,-0.3 16,-0.1 -0.741 29.3-162.5 -71.8 137.1 -0.4 12.2 -5.5 34 34 A V + 0 0 22 14,-0.4 2,-0.3 -2,-0.4 77,-0.2 0.449 60.8 30.2-113.7 -0.9 -3.3 9.8 -5.3 35 35 A K S S- 0 0 153 75,-0.1 -1,-0.2 2,-0.0 74,-0.1 -0.967 84.8-102.4-157.5 138.2 -4.4 9.3 -9.0 36 36 A D + 0 0 106 -2,-0.3 2,-0.3 74,-0.1 74,-0.2 -0.368 51.8 169.9 -56.7 139.9 -2.5 9.4 -12.4 37 37 A E E -G 109 0C 66 72,-2.4 72,-2.9 2,-0.0 2,-0.5 -0.990 33.6-133.2-157.8 148.7 -3.2 12.6 -14.0 38 38 A V E -G 108 0C 68 -2,-0.3 2,-0.4 70,-0.2 70,-0.2 -0.941 18.4-151.7-108.2 119.1 -2.0 14.7 -17.0 39 39 A L E -G 107 0C 0 68,-3.1 68,-2.5 -2,-0.5 3,-0.1 -0.785 23.4-120.9 -90.7 131.4 -1.2 18.4 -16.4 40 40 A K > - 0 0 154 -2,-0.4 3,-0.8 66,-0.2 61,-0.2 -0.288 35.6 -91.7 -66.8 153.7 -1.7 20.6 -19.5 41 41 A P T 3 S+ 0 0 55 0, 0.0 63,-0.2 0, 0.0 -1,-0.1 -0.234 105.0 5.3 -60.9 149.0 1.3 22.6 -20.9 42 42 A K T 3 S+ 0 0 149 61,-2.2 2,-0.3 59,-0.4 60,-0.2 0.811 109.5 116.7 50.0 44.6 1.7 26.1 -19.7 43 43 A S E < -H 101 0D 28 -3,-0.8 58,-3.2 58,-0.6 2,-0.5 -0.888 65.9-122.5-140.7 162.8 -1.2 25.7 -17.2 44 44 A T E -H 100 0D 46 -2,-0.3 2,-0.4 56,-0.2 56,-0.2 -0.952 28.9-166.7-105.3 124.2 -2.1 25.8 -13.5 45 45 A T E -H 99 0D 28 54,-2.9 54,-2.8 -2,-0.5 2,-1.0 -0.958 18.3-141.2-111.3 139.1 -3.8 22.5 -12.3 46 46 A F E -H 98 0D 96 -2,-0.4 2,-0.5 52,-0.2 52,-0.2 -0.829 25.9-162.1 -96.8 99.0 -5.6 22.3 -8.9 47 47 A V E -H 97 0D 1 50,-2.8 50,-3.4 -2,-1.0 2,-0.4 -0.788 9.4-139.6 -93.1 122.7 -4.5 18.8 -7.9 48 48 A K E -H 96 0D 127 -2,-0.5 -14,-0.4 48,-0.2 48,-0.2 -0.653 5.1-156.0 -82.5 129.2 -6.7 17.2 -5.1 49 49 A L - 0 0 1 46,-2.7 -17,-0.2 -2,-0.4 47,-0.1 0.441 31.4-121.8 -93.1 3.9 -4.7 15.2 -2.6 50 50 A G S S+ 0 0 5 45,-0.3 -42,-3.1 1,-0.2 -41,-0.3 0.676 78.7 88.1 76.1 14.0 -7.5 12.9 -1.4 51 51 A I E -A 7 0A 0 44,-0.3 44,-2.9 -44,-0.2 2,-0.3 -0.944 55.9-155.2-143.5 158.9 -7.2 14.0 2.3 52 52 A K E -A 6 0A 21 -46,-1.9 -46,-1.8 -2,-0.3 2,-0.3 -0.919 26.1-177.1-127.2 156.1 -8.4 16.5 4.8 53 53 A A E -A 5 0A 1 40,-0.4 2,-0.3 -2,-0.3 -48,-0.2 -0.997 24.0-163.4-160.6 146.8 -6.4 17.5 7.9 54 54 A I E -A 4 0A 15 -50,-2.0 -50,-2.6 -2,-0.3 2,-0.4 -0.958 19.0-141.7-123.3 152.4 -6.1 19.5 11.1 55 55 A A E -AC 3 63A 0 8,-0.7 8,-3.3 -2,-0.3 2,-0.4 -0.945 12.1-163.5-114.1 137.1 -3.0 20.2 13.1 56 56 A L E AC 2 62A 27 -54,-3.2 -54,-3.0 -2,-0.4 6,-0.2 -0.921 360.0 360.0-117.3 138.2 -2.9 20.2 16.9 57 57 A Q 0 0 79 4,-2.3 4,-2.3 -2,-0.4 -2,-0.0 -0.928 360.0 360.0-127.9 360.0 -0.1 21.8 19.0 58 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 59 80 A N 0 0 198 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 15.6 -4.5 22.0 26.8 60 81 A I - 0 0 121 -4,-0.0 2,-0.4 2,-0.0 -4,-0.0 -0.767 360.0-164.2-109.6 132.5 -4.7 21.5 23.0 61 82 A V - 0 0 96 -4,-2.3 -4,-2.3 -2,-0.4 2,-0.4 -0.948 22.4-127.5-119.1 147.1 -5.1 24.0 20.1 62 83 A N E -C 56 0A 61 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.597 40.6-163.5 -80.5 123.4 -6.0 23.6 16.6 63 84 A T E -C 55 0A 14 -8,-3.3 -8,-0.7 -2,-0.4 2,-0.1 -0.796 22.0-112.9-118.9 153.6 -3.3 25.4 14.4 64 85 A S - 0 0 3 198,-0.3 57,-0.5 -2,-0.3 2,-0.3 -0.447 40.1-171.4 -63.0 156.0 -2.7 26.8 11.0 65 86 A F E -E 87 0B 2 22,-2.6 22,-3.1 -2,-0.1 2,-0.3 -0.924 15.5-109.8-149.5 179.4 -0.0 24.9 8.9 66 87 A L E -EF 86 119B 9 53,-3.2 53,-3.0 -2,-0.3 2,-0.6 -0.830 4.7-150.1-121.3 146.9 2.0 25.1 5.6 67 88 A L E -EF 85 118B 4 18,-2.5 18,-2.7 -2,-0.3 51,-0.2 -0.936 27.0-176.6-114.6 107.5 2.2 23.3 2.4 68 89 A F E - F 0 117B 6 49,-2.7 49,-2.6 -2,-0.6 2,-0.1 -0.745 29.7-112.3-101.2 150.5 5.8 23.3 0.9 69 90 A P E - F 0 116B 2 0, 0.0 47,-0.3 0, 0.0 2,-0.2 -0.528 40.9-109.5 -62.3 148.6 7.0 22.0 -2.4 70 91 A R > - 0 0 53 45,-2.8 3,-1.7 -2,-0.1 4,-0.3 -0.575 25.1-116.7 -72.4 148.0 9.3 19.0 -1.8 71 92 A S G > S+ 0 0 71 1,-0.3 3,-1.6 -2,-0.2 4,-0.1 0.868 114.2 60.5 -43.9 -46.4 13.0 19.8 -2.7 72 93 A S G > S+ 0 0 43 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.606 81.5 80.9 -73.7 -9.1 13.0 17.3 -5.4 73 94 A I G X S+ 0 0 0 -3,-1.7 3,-2.0 1,-0.3 5,-0.4 0.820 77.7 76.8 -59.6 -28.2 10.1 19.2 -7.3 74 95 A S G < S+ 0 0 2 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.709 84.9 58.0 -50.4 -37.3 13.0 21.3 -8.6 75 96 A K G < S+ 0 0 154 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.624 103.5 65.7 -73.5 -10.6 14.1 18.7 -11.1 76 97 A T S < S- 0 0 13 -3,-2.0 -3,-0.0 -4,-0.3 0, 0.0 -0.403 92.6-117.5 -99.6 172.7 10.6 18.8 -12.7 77 98 A P S S+ 0 0 32 0, 0.0 25,-2.2 0, 0.0 2,-0.3 0.297 81.5 113.5 -87.5 5.6 9.0 21.8 -14.5 78 99 A L E +I 101 0D 0 -5,-0.4 2,-0.3 23,-0.2 -2,-0.2 -0.648 42.9 179.2 -87.2 133.4 6.3 21.8 -11.8 79 100 A R E -I 100 0D 23 21,-1.9 21,-3.0 -2,-0.3 2,-0.8 -0.957 35.8-108.6-131.8 150.0 6.2 24.8 -9.5 80 101 A L E > -I 99 0D 7 -2,-0.3 3,-2.2 19,-0.2 19,-0.2 -0.679 26.6-150.2 -84.5 116.0 3.8 25.6 -6.6 81 102 A A T 3 S+ 0 0 1 17,-3.0 -1,-0.2 -2,-0.8 18,-0.1 0.892 95.0 42.4 -57.8 -36.8 1.6 28.5 -7.9 82 103 A N T 3 S- 0 0 16 16,-0.4 2,-1.8 1,-0.2 -1,-0.3 0.262 102.7-132.5 -97.8 16.6 1.0 30.1 -4.5 83 104 A S S < S+ 0 0 8 -3,-2.2 2,-0.4 124,-0.1 266,-0.2 -0.517 86.1 11.3 76.5 -76.9 4.7 29.6 -3.4 84 105 A I S S- 0 0 4 -2,-1.8 2,-0.3 138,-0.2 -16,-0.2 -0.995 86.6-127.4-124.1 129.5 3.9 28.2 0.0 85 106 A G E -E 67 0B 2 -18,-2.7 -18,-2.5 -2,-0.4 2,-0.7 -0.652 13.6-150.5 -81.5 140.1 0.4 27.1 0.8 86 107 A L E -E 66 0B 13 -2,-0.3 2,-0.7 -20,-0.2 -20,-0.2 -0.913 9.5-166.7-107.8 107.0 -1.2 28.5 4.0 87 108 A I E -E 65 0B 17 -22,-3.1 -22,-2.6 -2,-0.7 2,-0.1 -0.894 19.6-136.2 -97.6 116.8 -3.8 26.1 5.4 88 109 A D > - 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