==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-10 3LQW . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 59.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 31.8 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 . 0 0.0 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 . 18 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 3.9 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+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 1 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 197 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.0 0.3 13.5 71.6 2 3 A E - 0 0 102 51,-0.1 2,-0.4 2,-0.0 50,-0.0 -0.988 360.0-178.9-123.9 140.9 -0.7 12.9 75.2 3 4 A V - 0 0 78 -2,-0.4 2,-0.7 48,-0.1 0, 0.0 -0.998 24.2-142.5-139.0 137.3 -1.0 15.7 77.7 4 5 A L - 0 0 40 -2,-0.4 2,-0.4 48,-0.1 48,-0.2 -0.914 26.1-150.1 -92.2 116.2 -1.9 15.8 81.4 5 6 A L E -A 51 0A 88 46,-1.9 46,-2.3 -2,-0.7 2,-0.4 -0.738 11.8-164.3 -89.7 139.0 -3.9 19.0 81.9 6 7 A V E -A 50 0A 44 -2,-0.4 2,-0.5 44,-0.2 44,-0.2 -0.988 7.9-164.1-128.2 127.4 -3.7 20.6 85.4 7 8 A K E -A 49 0A 136 42,-2.7 42,-2.1 -2,-0.4 2,-0.6 -0.957 18.6-136.5-108.2 124.4 -6.0 23.3 86.9 8 9 A K E -A 48 0A 110 -2,-0.5 40,-0.2 40,-0.2 3,-0.1 -0.704 13.5-168.2 -73.6 124.1 -4.9 25.2 89.9 9 10 A L S S+ 0 0 70 38,-2.9 2,-0.3 -2,-0.6 39,-0.2 0.648 78.0 29.5 -87.1 -18.3 -7.8 25.4 92.3 10 11 A V S > S- 0 0 61 37,-0.8 3,-1.8 -3,-0.0 -1,-0.1 -0.956 89.7-113.9-139.4 150.3 -6.0 28.0 94.5 11 12 A E T 3 S+ 0 0 99 -2,-0.3 -3,-0.0 1,-0.3 -1,-0.0 0.797 112.3 47.6 -61.7 -30.5 -3.6 30.6 93.3 12 13 A D T 3 S+ 0 0 84 19,-0.1 -1,-0.3 2,-0.1 2,-0.0 0.320 80.2 126.3 -96.6 12.1 -0.6 29.3 95.2 13 14 A A < - 0 0 5 -3,-1.8 2,-0.5 34,-0.2 34,-0.1 -0.338 59.4-127.3 -60.7 149.9 -1.0 25.6 94.2 14 15 A I - 0 0 68 32,-0.5 15,-0.4 15,-0.2 -1,-0.1 -0.889 17.2-124.3-103.5 123.2 2.1 24.0 92.6 15 16 A V - 0 0 65 -2,-0.5 12,-0.1 1,-0.1 -7,-0.0 -0.461 38.4-103.0 -63.2 129.4 1.6 22.3 89.2 16 17 A P - 0 0 16 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.233 42.3-149.9 -54.1 145.6 2.9 18.7 89.5 17 18 A T E -D 27 0B 53 10,-1.1 10,-3.1 -3,-0.1 2,-0.5 -0.925 16.7-128.5-126.5 142.8 6.3 18.2 87.9 18 19 A R E -D 26 0B 135 -2,-0.4 8,-0.2 8,-0.3 6,-0.0 -0.811 24.2-156.5 -88.6 126.6 8.1 15.4 86.2 19 20 A G + 0 0 57 6,-0.7 2,-0.3 -2,-0.5 -1,-0.1 0.698 66.3 12.6 -84.7 -28.6 11.5 15.0 88.0 20 21 A S S > S- 0 0 75 1,-0.0 3,-1.9 3,-0.0 -1,-0.0 -0.917 88.2 -94.0-142.6 168.8 13.8 13.4 85.5 21 22 A K T 3 S+ 0 0 101 1,-0.3 -1,-0.0 -2,-0.3 -3,-0.0 0.858 124.6 23.7 -56.2 -42.3 13.5 12.7 81.8 22 23 A C T 3 S+ 0 0 125 -3,-0.0 2,-0.4 -4,-0.0 -1,-0.3 -0.159 84.2 147.7-118.7 36.9 12.1 9.2 82.2 23 24 A A < - 0 0 24 -3,-1.9 -3,-0.0 1,-0.2 0, 0.0 -0.623 40.6-151.3 -69.4 131.0 10.7 9.6 85.7 24 25 A A S S+ 0 0 68 -2,-0.4 88,-0.6 87,-0.1 2,-0.3 0.810 74.7 61.2 -66.9 -35.5 7.7 7.4 85.8 25 26 A G E - E 0 111B 2 86,-0.2 -6,-0.7 84,-0.0 2,-0.5 -0.677 68.7-143.3-110.6 150.7 6.1 9.7 88.4 26 27 A I E -DE 18 110B 8 84,-2.2 84,-2.4 -2,-0.3 -8,-0.3 -0.945 34.7-115.9-108.4 124.9 5.0 13.2 88.5 27 28 A D E -DE 17 109B 27 -10,-3.1 -10,-1.1 -2,-0.5 2,-0.4 -0.430 23.4-152.7 -70.6 132.9 5.6 14.9 91.9 28 29 A L E - E 0 108B 0 80,-2.6 79,-2.5 -12,-0.2 80,-0.9 -0.886 11.3-150.9-104.0 134.9 2.5 16.0 93.8 29 30 A Y E - E 0 106B 21 -2,-0.4 2,-0.3 -15,-0.4 77,-0.2 -0.858 15.0-117.4-111.5 140.1 2.9 18.9 96.3 30 31 A S - 0 0 3 75,-2.7 74,-3.2 -2,-0.4 16,-0.2 -0.579 12.1-159.4 -69.6 136.9 1.1 19.7 99.5 31 32 A N S S+ 0 0 27 14,-2.9 2,-0.3 -2,-0.3 72,-0.2 0.386 74.3 40.5 -92.7 2.7 -0.9 22.9 99.5 32 33 A T S S- 0 0 52 13,-0.4 2,-0.3 70,-0.2 73,-0.2 -0.954 81.8-108.0-143.9 157.8 -1.0 23.0 103.3 33 34 A N + 0 0 117 -2,-0.3 2,-0.3 69,-0.2 69,-0.3 -0.626 48.4 171.7 -72.9 148.6 1.0 22.4 106.5 34 35 A F E -H 101 0C 10 67,-2.6 67,-2.9 -2,-0.3 2,-0.4 -0.986 27.5-144.3-159.0 159.7 -0.2 19.2 108.2 35 36 A I E -H 100 0C 93 -2,-0.3 2,-0.5 65,-0.2 65,-0.2 -0.995 8.3-162.5-130.0 133.2 0.7 16.9 111.1 36 37 A I E -H 99 0C 2 63,-2.5 63,-2.7 -2,-0.4 3,-0.1 -0.973 17.4-138.9-117.2 117.9 0.2 13.1 111.2 37 38 A Q > - 0 0 81 -2,-0.5 3,-1.8 61,-0.2 56,-0.3 -0.298 42.6 -73.9 -66.9 158.7 0.2 11.4 114.5 38 39 A P T 3 S+ 0 0 40 0, 0.0 58,-0.2 0, 0.0 -1,-0.2 -0.285 118.1 3.4 -55.3 133.3 2.0 8.1 115.0 39 40 A H T 3 S+ 0 0 112 54,-1.5 2,-0.2 56,-0.9 55,-0.1 0.683 113.4 103.5 60.8 28.6 0.1 5.2 113.4 40 41 A E < - 0 0 112 -3,-1.8 53,-2.9 53,-0.3 2,-0.3 -0.528 60.4-130.8-123.2-171.7 -2.6 7.6 112.1 41 42 A R E - B 0 92A 163 51,-0.2 2,-0.3 -2,-0.2 51,-0.2 -0.916 10.1-159.7-142.1 164.6 -3.4 9.0 108.6 42 43 A F E - B 0 91A 75 49,-2.1 49,-2.6 -2,-0.3 2,-0.8 -0.987 20.3-130.6-153.6 137.1 -4.2 12.4 107.0 43 44 A L E - B 0 90A 88 -2,-0.3 2,-0.5 47,-0.2 47,-0.2 -0.815 30.6-156.4 -91.1 108.2 -5.8 13.5 103.8 44 45 A V E - B 0 89A 0 45,-3.2 45,-2.4 -2,-0.8 2,-0.3 -0.764 5.5-140.1 -94.4 127.7 -3.5 16.0 102.1 45 46 A S E - B 0 88A 29 -2,-0.5 -14,-2.9 43,-0.2 -13,-0.4 -0.679 11.7-169.4 -86.8 134.1 -4.8 18.5 99.6 46 47 A T E - 0 0 3 41,-1.8 -32,-0.5 -2,-0.3 -17,-0.2 0.630 33.7-128.8 -93.3 -19.2 -2.7 19.3 96.5 47 48 A G E S+ 0 0 1 40,-0.3 -38,-2.9 1,-0.2 -37,-0.8 0.526 73.5 94.8 80.1 5.6 -4.6 22.3 95.4 48 49 A V E -A 8 0A 0 39,-0.4 39,-3.0 -40,-0.2 2,-0.3 -0.930 54.0-157.3-128.1 156.1 -5.0 21.0 91.8 49 50 A S E -AB 7 86A 11 -42,-2.1 -42,-2.7 -2,-0.3 2,-0.3 -0.856 21.8-156.8-116.5 160.0 -7.4 19.0 89.6 50 51 A V E -A 6 0A 5 35,-0.5 2,-0.5 -2,-0.3 -44,-0.2 -0.938 23.2-143.6-137.7 159.5 -6.3 17.1 86.5 51 52 A Q E -A 5 0A 90 -46,-2.3 -46,-1.9 -2,-0.3 30,-0.1 -0.963 29.4-150.6-121.0 105.1 -7.5 15.7 83.2 52 53 A I - 0 0 5 -2,-0.5 -48,-0.1 28,-0.3 3,-0.1 -0.507 27.2 -97.6 -71.9 144.1 -5.7 12.4 82.6 53 54 A P > - 0 0 18 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.192 54.8 -77.2 -60.1 156.9 -5.0 11.3 78.9 54 55 A H T 3 S+ 0 0 111 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.167 113.8 14.3 -58.8 140.7 -7.3 8.9 77.3 55 56 A Q T 3 S+ 0 0 111 1,-0.3 60,-1.9 -3,-0.1 2,-0.3 0.731 112.6 91.9 64.0 26.4 -7.1 5.2 78.2 56 57 A C E < -F 114 0B 1 -3,-1.2 25,-0.4 58,-0.2 2,-0.3 -0.894 56.2-158.1-132.0 167.1 -4.9 6.0 81.2 57 58 A Y E -F 113 0B 40 56,-1.9 56,-2.2 -2,-0.3 2,-0.6 -0.931 25.0-112.8-135.9 167.1 -5.5 6.6 84.9 58 59 A G E -FG 112 79B 0 21,-2.7 21,-2.7 -2,-0.3 2,-0.5 -0.908 28.3-159.6-100.9 119.3 -3.4 8.4 87.5 59 60 A R E -FG 111 78B 66 52,-2.8 52,-2.6 -2,-0.6 2,-0.5 -0.851 14.1-134.4 -98.3 130.2 -2.1 6.1 90.2 60 61 A I E -F 110 0B 8 17,-1.0 50,-0.2 -2,-0.5 14,-0.1 -0.705 31.1-178.3 -81.9 125.1 -1.0 7.7 93.4 61 62 A A E -F 109 0B 4 48,-3.0 48,-2.5 -2,-0.5 2,-0.2 -0.912 26.0-106.7-125.5 151.9 2.4 6.2 94.5 62 63 A P - 0 0 40 0, 0.0 2,-0.4 0, 0.0 46,-0.2 -0.486 28.8-116.6 -76.4 148.5 4.5 6.8 97.6 63 64 A R > - 0 0 58 44,-0.3 4,-1.6 -2,-0.2 3,-0.2 -0.692 22.0-138.5 -77.0 131.5 7.8 8.8 97.6 64 65 A S H > S+ 0 0 96 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.886 98.1 55.9 -62.5 -40.5 10.6 6.4 98.5 65 66 A S H > S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.895 107.5 48.4 -64.4 -37.7 12.4 8.9 100.7 66 67 A L H > S+ 0 0 14 -3,-0.2 6,-1.8 2,-0.2 4,-1.5 0.840 112.7 48.9 -71.7 -34.1 9.4 9.5 102.9 67 68 A A H X S+ 0 0 45 -4,-1.6 4,-1.3 4,-0.3 -2,-0.2 0.939 117.1 41.7 -64.2 -50.9 8.8 5.7 103.3 68 69 A L H < S+ 0 0 150 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.949 125.4 31.6 -62.1 -52.2 12.4 5.0 104.2 69 70 A K H < S+ 0 0 136 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.855 136.6 16.9 -78.8 -37.5 13.0 7.9 106.5 70 71 A Y H < S- 0 0 101 -4,-1.5 25,-0.4 -5,-0.4 -3,-0.2 0.403 94.2-114.1-123.3 -3.4 9.6 8.4 108.1 71 72 A G < + 0 0 27 -4,-1.3 23,-2.5 -5,-0.3 2,-0.3 0.739 57.9 159.1 71.4 24.6 7.5 5.3 107.5 72 73 A I E +C 93 0A 5 -6,-1.8 2,-0.3 21,-0.2 -1,-0.2 -0.645 14.7 178.4 -81.5 132.9 5.0 7.1 105.2 73 74 A D E -C 92 0A 73 19,-2.4 19,-2.9 -2,-0.3 2,-0.4 -0.899 14.4-147.6-125.2 162.5 2.8 5.1 102.9 74 75 A V E -C 91 0A 6 -2,-0.3 17,-0.2 17,-0.2 2,-0.1 -0.989 27.1-106.1-125.2 135.6 0.2 6.3 100.5 75 76 A G - 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