==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-13 4LHR . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 64.2 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 . 39 29.1 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 . 24 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 0 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 H 0 0 144 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.4 36.3 -31.4 32.8 2 0 A H - 0 0 192 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.881 360.0-169.2-118.6 159.3 32.5 -31.7 32.2 3 1 A M - 0 0 61 -2,-0.3 2,-0.5 2,-0.0 54,-0.0 -0.983 28.0-119.4-148.5 136.7 29.9 -29.0 31.5 4 2 A K - 0 0 98 -2,-0.3 2,-0.6 53,-0.0 -2,-0.0 -0.681 37.4-165.8 -73.3 120.4 26.1 -28.9 31.4 5 3 A L - 0 0 49 -2,-0.5 2,-0.1 53,-0.1 52,-0.1 -0.929 14.7-137.2-121.3 110.4 25.4 -27.8 27.9 6 4 A D E -A 56 0A 115 50,-0.7 50,-1.9 -2,-0.6 2,-0.4 -0.429 24.8-170.7 -64.8 132.7 22.0 -26.6 26.9 7 5 A L E -A 55 0A 75 48,-0.2 2,-0.5 -2,-0.1 48,-0.2 -0.997 12.2-158.4-132.1 125.1 21.0 -27.9 23.5 8 6 A K E -A 54 0A 129 46,-2.9 46,-2.1 -2,-0.4 2,-1.0 -0.938 12.7-144.8-104.8 127.1 17.9 -26.9 21.4 9 7 A I E +A 53 0A 63 -2,-0.5 44,-0.2 44,-0.2 3,-0.1 -0.810 21.8 176.5 -90.6 102.1 16.8 -29.4 18.8 10 8 A L S S+ 0 0 79 42,-1.7 2,-0.5 -2,-1.0 43,-0.2 0.803 71.6 43.7 -78.6 -30.6 15.6 -27.1 16.0 11 9 A D S > S- 0 0 45 41,-1.7 3,-2.5 -3,-0.1 -1,-0.2 -0.969 76.6-146.3-120.8 115.2 14.8 -29.9 13.6 12 10 A A G > S+ 0 0 52 -2,-0.5 3,-1.6 1,-0.3 4,-0.3 0.724 93.2 71.6 -54.2 -24.2 12.9 -32.9 15.1 13 11 A R G > S+ 0 0 76 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.783 87.6 66.5 -64.6 -21.4 14.7 -35.3 12.8 14 12 A M G X S+ 0 0 2 -3,-2.5 3,-1.9 1,-0.2 -1,-0.3 0.582 73.6 86.4 -79.6 -6.7 17.9 -34.7 14.8 15 13 A R G < S+ 0 0 169 -3,-1.6 3,-0.5 1,-0.3 -1,-0.2 0.842 94.1 46.5 -56.4 -30.1 16.5 -36.4 17.9 16 14 A D G < S+ 0 0 137 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.414 116.4 45.3 -89.3 2.2 17.7 -39.6 16.4 17 15 A Y S < S+ 0 0 83 -3,-1.9 15,-0.2 -4,-0.0 -1,-0.2 -0.192 73.1 159.1-140.7 38.6 21.2 -38.2 15.5 18 16 A L - 0 0 72 -3,-0.5 12,-0.1 1,-0.1 -3,-0.1 -0.372 51.1 -97.3 -68.3 147.4 22.4 -36.2 18.5 19 17 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.389 49.3-176.3 -62.0 143.5 26.1 -35.5 18.7 20 18 A K - 0 0 71 10,-0.1 10,-0.6 -3,-0.1 2,-0.4 -0.999 31.4-114.4-144.8 138.8 27.9 -38.1 21.0 21 19 A Y - 0 0 104 -2,-0.3 8,-0.1 1,-0.1 3,-0.1 -0.624 23.9-144.3 -69.8 127.9 31.4 -38.6 22.3 22 20 A A S S+ 0 0 91 6,-0.4 2,-0.3 -2,-0.4 -1,-0.1 0.879 78.3 0.2 -61.7 -41.5 32.7 -41.8 20.8 23 21 A T S > S- 0 0 86 -3,-0.0 3,-1.6 1,-0.0 -1,-0.1 -0.911 78.9-101.2-139.9 168.5 34.6 -42.7 23.9 24 22 A T T 3 S+ 0 0 162 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 0.646 123.9 54.1 -67.2 -13.5 35.3 -41.2 27.4 25 23 A G T 3 S+ 0 0 67 -4,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.353 82.8 118.0 -97.2 2.7 38.7 -40.1 25.9 26 24 A S < - 0 0 41 -3,-1.6 -5,-0.1 1,-0.1 3,-0.0 -0.495 46.0-165.4 -74.8 140.6 37.2 -38.3 22.9 27 25 A A + 0 0 75 -2,-0.2 93,-0.5 92,-0.0 2,-0.3 0.669 65.9 55.9 -92.0 -24.3 37.8 -34.5 22.6 28 26 A G - 0 0 16 91,-0.1 -6,-0.4 -8,-0.1 2,-0.4 -0.819 62.4-142.8-122.3 154.0 35.2 -33.8 19.9 29 27 A L E -D 118 0B 23 89,-2.3 89,-2.6 -2,-0.3 2,-0.4 -0.926 29.9-123.4-106.6 135.3 31.5 -34.1 19.2 30 28 A D E -D 117 0B 39 -10,-0.6 2,-0.4 -2,-0.4 87,-0.2 -0.650 19.3-154.8 -88.5 131.0 30.4 -35.0 15.6 31 29 A L E -D 116 0B 4 85,-2.6 84,-3.1 -2,-0.4 85,-1.4 -0.854 13.7-152.1-100.8 137.3 28.0 -32.6 13.9 32 30 A R E -D 114 0B 74 -2,-0.4 2,-0.5 82,-0.3 82,-0.2 -0.764 21.0-101.2-114.6 155.8 25.9 -33.9 11.1 33 31 A A - 0 0 0 80,-2.3 79,-3.0 77,-0.3 2,-1.0 -0.621 25.0-154.3 -75.1 121.8 24.2 -32.5 8.0 34 32 A C + 0 0 8 16,-3.0 2,-0.3 -2,-0.5 18,-0.2 -0.837 38.8 151.0 -98.3 93.5 20.5 -31.9 8.6 35 33 A L - 0 0 21 -2,-1.0 4,-0.0 1,-0.1 14,-0.0 -0.964 52.1-146.7-131.1 143.8 19.3 -32.1 5.0 36 34 A D S S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.758 91.2 2.2 -73.0 -27.5 16.1 -33.2 3.2 37 35 A A S S- 0 0 52 73,-0.0 -1,-0.2 -3,-0.0 72,-0.1 -0.973 94.7 -73.0-156.3 157.6 18.1 -34.6 0.3 38 36 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 72,-0.2 -0.241 42.0-145.3 -57.9 149.2 21.8 -35.1 -0.7 39 37 A V E -G 109 0C 45 70,-2.0 70,-3.1 -4,-0.0 2,-0.5 -0.983 6.4-140.8-120.3 125.6 23.7 -32.0 -1.8 40 38 A T E -G 108 0C 73 -2,-0.4 2,-0.6 68,-0.2 68,-0.2 -0.779 13.4-161.7 -90.9 126.6 26.3 -32.3 -4.6 41 39 A L E -G 107 0C 5 66,-3.4 66,-2.1 -2,-0.5 3,-0.1 -0.933 6.0-155.4-112.0 106.9 29.5 -30.2 -4.0 42 40 A K > - 0 0 124 -2,-0.6 3,-2.5 64,-0.2 59,-0.3 -0.412 42.8 -73.6 -73.4 156.3 31.6 -29.5 -7.0 43 41 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 59,-0.2 -0.266 121.5 14.3 -50.6 130.3 35.3 -28.8 -6.7 44 42 A G T 3 S+ 0 0 45 57,-2.7 2,-0.1 1,-0.3 58,-0.1 0.231 98.1 126.4 89.7 -14.3 35.7 -25.3 -5.2 45 43 A D < - 0 0 85 -3,-2.5 56,-2.4 55,-0.1 2,-0.4 -0.395 44.6-153.0 -86.2 157.1 32.2 -24.9 -4.1 46 44 A T E - B 0 100A 83 54,-0.2 2,-0.3 -2,-0.1 54,-0.2 -0.986 10.2-174.4-124.1 135.2 30.9 -23.9 -0.7 47 45 A A E - B 0 99A 24 52,-2.6 52,-3.3 -2,-0.4 2,-0.7 -0.961 25.0-130.8-124.9 146.5 27.5 -24.8 0.8 48 46 A L E - B 0 98A 117 -2,-0.3 50,-0.2 50,-0.2 -2,-0.0 -0.889 31.1-166.1 -98.7 112.1 26.0 -23.6 4.1 49 47 A V E - B 0 97A 3 48,-2.9 48,-2.9 -2,-0.7 2,-0.1 -0.875 11.1-136.5-109.0 121.8 24.7 -26.8 5.7 50 48 A P E - B 0 96A 34 0, 0.0 -16,-3.0 0, 0.0 46,-0.2 -0.453 7.6-160.5 -73.6 152.6 22.4 -26.8 8.7 51 49 A T E - 0 0 0 44,-1.6 -19,-0.2 2,-0.3 45,-0.1 0.540 32.5-128.9-100.0 -15.9 22.9 -29.0 11.7 52 50 A G E S+ 0 0 0 43,-0.3 -41,-1.7 1,-0.2 -42,-1.7 0.577 76.9 96.6 74.5 11.3 19.4 -28.8 13.1 53 51 A L E -A 9 0A 3 42,-0.4 42,-2.9 -44,-0.2 2,-0.3 -0.939 51.7-166.8-134.7 151.3 20.8 -27.9 16.5 54 52 A A E -AB 8 94A 3 -46,-2.1 -46,-2.9 -2,-0.3 2,-0.3 -0.988 10.8-164.1-132.5 144.6 21.7 -24.9 18.6 55 53 A I E -A 7 0A 12 38,-0.5 2,-0.3 -2,-0.3 -48,-0.2 -0.852 12.5-154.1-120.4 162.2 23.8 -24.8 21.7 56 54 A H E +A 6 0A 54 -50,-1.9 -50,-0.7 -2,-0.3 36,-0.1 -0.811 10.2 179.7-134.7 95.4 24.3 -22.2 24.5 57 55 A L + 0 0 6 34,-0.4 2,-2.2 31,-0.4 33,-0.2 0.888 16.2 178.8 -62.0 -41.6 27.7 -22.5 26.1 58 56 A A + 0 0 54 31,-2.6 -1,-0.2 30,-0.2 31,-0.1 -0.193 46.7 96.3 76.6 -43.8 26.7 -19.6 28.4 59 57 A D > - 0 0 77 -2,-2.2 3,-1.9 1,-0.1 -1,-0.1 -0.692 66.4-150.3 -81.5 116.1 29.9 -19.5 30.5 60 58 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.563 90.9 74.7 -68.4 -4.2 32.2 -16.8 28.9 61 59 A G T 3 S+ 0 0 25 61,-0.1 62,-2.0 63,-0.1 2,-0.3 0.419 97.3 55.1 -80.3 0.1 35.2 -18.8 30.1 62 60 A Y E < +E 122 0B 78 -3,-1.9 27,-0.3 60,-0.3 2,-0.3 -0.943 55.4 173.8-134.6 154.9 34.5 -21.3 27.2 63 61 A A E -E 121 0B 5 58,-2.4 58,-2.4 -2,-0.3 2,-0.4 -0.931 25.7-121.9-144.6 168.7 34.1 -21.4 23.5 64 62 A A E -EF 120 87B 0 23,-2.1 23,-3.1 -2,-0.3 2,-0.4 -0.957 12.6-153.1-117.7 140.2 33.7 -24.1 20.8 65 63 A L E -EF 119 86B 56 54,-2.9 54,-2.6 -2,-0.4 2,-0.5 -0.913 8.6-151.3-101.7 136.2 35.9 -24.7 17.9 66 64 A I E +EF 118 85B 10 19,-2.5 19,-2.2 -2,-0.4 52,-0.2 -0.950 22.8 179.0-110.5 122.7 34.4 -26.4 14.8 67 65 A L E -E 117 0B 52 50,-2.7 50,-2.7 -2,-0.5 17,-0.1 -0.852 31.3 -99.6-120.6 154.3 36.9 -28.4 12.8 68 66 A P E -E 116 0B 36 0, 0.0 2,-0.3 0, 0.0 48,-0.2 -0.270 44.6-103.9 -61.2 158.5 36.8 -30.5 9.7 69 67 A R > - 0 0 48 46,-0.6 4,-2.3 9,-0.3 5,-0.3 -0.655 25.2-128.9 -81.0 145.9 36.7 -34.3 10.1 70 68 A S H > S+ 0 0 101 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.923 103.7 42.4 -66.7 -44.7 40.0 -36.0 9.4 71 69 A G H >>S+ 0 0 15 2,-0.2 4,-2.7 1,-0.2 5,-0.7 0.961 116.7 45.5 -67.1 -51.7 38.7 -38.6 6.9 72 70 A L H >5S+ 0 0 8 3,-0.2 6,-2.0 1,-0.2 4,-1.4 0.907 118.9 44.5 -56.1 -43.5 36.4 -36.3 5.0 73 71 A G H X5S+ 0 0 7 -4,-2.3 4,-1.1 4,-0.3 -2,-0.2 0.961 121.2 35.2 -68.8 -52.1 39.1 -33.7 4.8 74 72 A H H <5S+ 0 0 157 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.938 128.7 32.5 -66.9 -49.7 42.0 -35.8 3.9 75 73 A K H <5S+ 0 0 148 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.809 135.7 19.6 -81.3 -33.2 40.3 -38.4 1.7 76 74 A H H < -C 99 0A 3 3,-0.3 3,-1.3 19,-0.2 19,-0.3 -0.861 25.8-144.5-104.8 136.4 35.1 -25.8 6.2 81 79 A G T 3 S+ 0 0 33 17,-1.8 18,-0.1 -2,-0.4 -1,-0.1 0.767 109.9 42.2 -69.5 -26.3 34.9 -22.7 4.1 82 80 A N T 3 S- 0 0 92 16,-0.4 2,-2.4 1,-0.1 -1,-0.3 0.276 106.6-137.0 -96.5 8.4 35.9 -20.6 7.1 83 81 A L S < S+ 0 0 108 -3,-1.3 2,-0.4 15,-0.2 -3,-0.3 -0.355 81.1 19.9 71.8 -58.2 38.5 -23.3 7.9 84 82 A V S S- 0 0 73 -2,-2.4 2,-0.3 -17,-0.1 -17,-0.2 -0.985 77.4-144.1-139.8 130.0 37.8 -23.3 11.7 85 83 A G E -F 66 0B 7 -19,-2.2 -19,-2.5 -2,-0.4 2,-0.5 -0.714 5.8-153.0 -94.4 145.4 34.6 -22.0 13.3 86 84 A L E -F 65 0B 107 -2,-0.3 2,-0.6 -21,-0.2 -21,-0.2 -0.985 5.0-161.1-119.1 118.6 34.5 -20.2 16.6 87 85 A I E -F 64 0B 21 -23,-3.1 -23,-2.1 -2,-0.5 2,-0.1 -0.914 15.1-141.7-103.4 117.3 31.3 -20.4 18.6 88 86 A D > - 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