==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-11 3TQZ . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 138 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 30.4 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 23 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 3.6 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 X 0 0 243 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-122.7 36.4 31.2 1.5 2 2 A T - 0 0 133 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.706 360.0-162.9-114.8 155.1 32.8 31.0 2.8 3 3 A H - 0 0 70 -2,-0.2 2,-0.3 2,-0.0 119,-0.0 -0.982 20.3-127.4-143.9 123.8 30.7 28.2 4.0 4 4 A S - 0 0 105 -2,-0.4 2,-0.4 56,-0.0 -2,-0.0 -0.574 27.3-172.2 -70.3 128.4 26.9 28.1 4.4 5 5 A V - 0 0 50 -2,-0.3 2,-0.2 55,-0.0 54,-0.2 -0.989 19.1-132.9-126.3 123.8 25.8 27.0 7.9 6 6 A Q E -A 58 0A 131 52,-1.8 52,-1.8 -2,-0.4 2,-0.4 -0.554 23.3-161.4 -78.4 143.1 22.2 26.2 8.8 7 7 A L E -A 57 0A 76 -2,-0.2 2,-0.5 50,-0.2 50,-0.2 -0.979 10.4-162.9-127.8 130.4 21.0 27.8 12.0 8 8 A K E -A 56 0A 128 48,-2.9 48,-2.0 -2,-0.4 2,-0.7 -0.978 17.4-140.6-115.1 125.6 18.0 26.9 14.1 9 9 A I E +A 55 0A 72 -2,-0.5 46,-0.3 46,-0.2 3,-0.1 -0.783 25.2 171.7 -88.4 117.3 16.9 29.5 16.6 10 10 A L + 0 0 89 44,-2.2 2,-0.4 -2,-0.7 45,-0.2 0.589 68.8 48.8 -98.9 -19.1 15.8 27.8 19.9 11 11 A D S > S- 0 0 39 43,-1.5 3,-2.5 42,-0.1 -1,-0.2 -0.989 75.7-141.7-123.5 122.3 15.4 31.0 22.0 12 12 A K T 3 S+ 0 0 187 -2,-0.4 5,-0.2 1,-0.3 -1,-0.1 0.561 95.9 73.0 -62.3 -14.2 13.3 33.9 20.5 13 13 A R T > >S+ 0 0 52 3,-0.1 5,-2.4 4,-0.1 3,-2.1 0.754 74.7 100.0 -66.4 -24.5 15.7 36.5 22.0 14 14 A L B < 5S+e 18 0B 12 -3,-2.5 3,-0.1 1,-0.3 6,-0.1 -0.484 93.1 14.3 -71.4 127.2 18.3 35.5 19.4 15 15 A G T 3 5S+ 0 0 49 3,-2.9 -1,-0.3 -2,-0.3 -2,-0.1 0.284 132.9 54.1 91.8 -14.0 18.3 38.0 16.5 16 16 A S T < 5S+ 0 0 82 -3,-2.1 -1,-0.2 2,-0.5 -3,-0.1 0.445 125.1 1.3-114.3 -98.8 16.3 40.3 18.8 17 17 A E T 5S+ 0 0 136 1,-0.2 -3,-0.2 -5,-0.2 -4,-0.1 0.834 139.1 42.8 -61.1 -35.3 17.6 41.3 22.2 18 18 A F B S- 0 0 88 -3,-0.1 3,-1.6 1,-0.0 -1,-0.1 -0.910 84.3 -99.7-131.6 170.2 34.8 42.8 11.9 26 26 A T T 3 S+ 0 0 157 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 0.733 124.4 47.9 -53.7 -30.7 35.6 41.6 8.3 27 27 A G T 3 S+ 0 0 70 -4,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.394 82.5 121.2 -97.8 6.5 38.9 40.3 9.7 28 28 A S < - 0 0 36 -3,-1.6 -5,-0.1 1,-0.1 3,-0.0 -0.472 47.4-160.2 -69.9 137.7 37.5 38.4 12.8 29 29 A A S S+ 0 0 75 -2,-0.2 93,-0.5 92,-0.1 2,-0.3 0.727 71.6 49.1 -84.1 -25.3 38.3 34.7 12.9 30 30 A G S S- 0 0 4 91,-0.2 -6,-0.5 -8,-0.1 2,-0.4 -0.817 71.4-132.4-124.0 153.2 35.5 33.8 15.3 31 31 A L E -FG 23 120C 25 89,-2.5 89,-2.6 -2,-0.3 2,-0.3 -0.882 37.1-112.3-100.5 137.7 31.8 34.5 15.7 32 32 A D E - G 0 119C 26 -10,-1.7 2,-0.4 -2,-0.4 87,-0.2 -0.528 25.3-154.5 -77.7 130.3 30.7 35.6 19.2 33 33 A L E - G 0 118C 0 85,-2.6 84,-2.8 -2,-0.3 85,-1.2 -0.844 14.2-154.4-104.8 134.8 28.5 33.1 21.2 34 34 A R E - G 0 116C 63 -2,-0.4 2,-0.7 82,-0.3 82,-0.2 -0.797 19.6-105.0-116.7 156.4 26.3 34.6 23.9 35 35 A A - 0 0 0 80,-2.4 79,-3.3 -2,-0.3 2,-1.3 -0.640 22.0-156.4 -86.0 111.6 24.8 33.4 27.1 36 36 A C B +B 52 0A 13 16,-3.0 16,-0.5 -2,-0.7 2,-0.3 -0.775 37.4 153.1 -86.7 96.7 21.1 32.6 26.8 37 37 A L - 0 0 24 -2,-1.3 14,-0.0 14,-0.1 4,-0.0 -0.898 50.3-142.7-124.3 157.5 20.2 33.0 30.5 38 38 A D S S+ 0 0 149 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.628 89.5 3.8 -95.2 -14.8 17.0 33.9 32.2 39 39 A E S S- 0 0 146 72,-0.1 -1,-0.2 73,-0.0 72,-0.1 -0.967 100.4 -66.8-155.1 169.1 18.8 35.9 34.9 40 40 A P - 0 0 68 0, 0.0 2,-0.6 0, 0.0 72,-0.2 -0.323 48.7-144.0 -61.0 144.1 22.4 36.9 35.6 41 41 A L E -J 111 0D 41 70,-2.8 70,-3.0 2,-0.0 2,-0.8 -0.944 5.2-155.8-115.2 118.9 24.6 33.9 36.5 42 42 A K E -J 110 0D 117 -2,-0.6 2,-0.7 68,-0.2 68,-0.3 -0.834 14.4-156.8 -94.0 111.4 27.2 34.3 39.2 43 43 A I E -J 109 0D 0 66,-3.0 66,-1.8 -2,-0.8 3,-0.1 -0.809 11.6-138.7 -98.0 116.1 29.8 31.6 38.4 44 44 A E > - 0 0 88 -2,-0.7 3,-2.4 64,-0.2 59,-0.3 -0.191 37.6 -73.6 -70.1 160.4 31.9 30.7 41.5 45 45 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 59,-0.2 -0.347 120.9 4.5 -56.1 130.8 35.6 30.0 41.4 46 46 A D T 3 S+ 0 0 111 57,-2.4 2,-0.3 59,-0.4 58,-0.1 0.484 99.3 135.8 69.4 10.4 36.2 26.7 39.8 47 47 A E < - 0 0 73 -3,-2.4 56,-2.6 56,-0.2 2,-0.4 -0.623 41.2-153.9 -86.0 146.3 32.5 26.2 39.0 48 48 A T E - C 0 102A 75 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.971 12.1-176.6-117.5 136.9 31.4 24.9 35.6 49 49 A C E - C 0 101A 18 52,-2.7 52,-2.7 -2,-0.4 2,-0.6 -0.996 25.2-132.1-130.5 135.5 27.9 25.7 34.2 50 50 A L E - C 0 100A 122 -2,-0.4 2,-0.5 50,-0.2 50,-0.2 -0.745 32.5-168.7 -88.4 119.4 26.4 24.4 30.9 51 51 A I E - C 0 99A 3 48,-3.0 48,-3.1 -2,-0.6 2,-0.2 -0.931 16.3-129.7-117.5 131.3 25.0 27.5 29.2 52 52 A S E -BC 36 98A 36 -16,-0.5 -16,-3.0 -2,-0.5 46,-0.2 -0.495 4.7-158.2 -70.1 138.6 22.7 27.6 26.2 53 53 A T E - 0 0 2 44,-1.8 -19,-0.3 2,-0.3 -1,-0.1 0.474 44.2-118.0 -87.2 -4.4 23.6 29.8 23.2 54 54 A G E S+ 0 0 1 1,-0.3 -44,-2.2 43,-0.2 -43,-1.5 0.623 82.5 74.9 76.3 17.5 19.8 29.7 22.2 55 55 A L E -A 9 0A 2 42,-0.5 42,-2.7 -46,-0.3 2,-0.3 -0.916 62.5-143.3-145.7 173.3 20.6 28.0 18.9 56 56 A A E -AC 8 96A 6 -48,-2.0 -48,-2.9 40,-0.3 2,-0.3 -0.964 21.3-160.3-130.4 143.7 21.6 24.8 17.0 57 57 A I E -A 7 0A 10 38,-0.6 2,-0.4 -2,-0.3 -50,-0.2 -0.865 10.6-161.3-120.2 162.0 23.9 24.7 14.0 58 58 A Y E -A 6 0A 76 -52,-1.8 -52,-1.8 -2,-0.3 36,-0.1 -0.883 1.6-171.2-142.4 105.8 24.5 22.1 11.2 59 59 A L - 0 0 4 31,-0.4 33,-0.2 34,-0.4 32,-0.1 0.808 16.8-166.6 -69.2 -33.9 27.7 22.5 9.3 60 60 A G + 0 0 41 31,-1.8 2,-0.4 33,-0.2 32,-0.1 0.478 48.9 93.7 66.7 8.6 26.7 19.9 6.8 61 61 A H > - 0 0 89 3,-0.2 3,-1.9 30,-0.1 30,-0.1 -0.996 68.6-137.0-137.0 134.1 30.1 19.3 5.0 62 62 A S T 3 S+ 0 0 64 -2,-0.4 29,-0.2 1,-0.3 30,-0.1 0.682 102.1 51.3 -66.7 -24.3 32.4 16.5 6.0 63 63 A N T 3 S+ 0 0 67 28,-0.1 62,-2.2 61,-0.0 2,-0.4 0.137 97.3 82.4-100.5 23.0 35.6 18.6 5.7 64 64 A V E < +H 124 0C 16 -3,-1.9 2,-0.3 60,-0.2 27,-0.2 -0.968 49.3 162.3-122.1 141.5 34.3 21.4 7.8 65 65 A A E -H 123 0C 4 58,-2.6 58,-2.6 -2,-0.4 2,-0.3 -0.865 22.9-141.1-138.7 175.2 34.3 21.6 11.6 66 66 A A E -HI 122 89C 0 23,-1.7 23,-3.3 -2,-0.3 2,-0.4 -0.987 6.3-153.5-136.6 151.1 34.0 24.3 14.2 67 67 A T E -HI 121 88C 24 54,-2.5 54,-2.6 -2,-0.3 2,-0.5 -0.989 10.2-143.3-120.6 137.2 35.8 24.9 17.5 68 68 A I E +HI 120 87C 7 19,-2.6 19,-2.3 -2,-0.4 52,-0.2 -0.869 29.6 178.5 -92.7 129.3 34.4 26.8 20.5 69 69 A L E -H 119 0C 55 50,-2.6 50,-2.6 -2,-0.5 17,-0.1 -0.892 31.0 -98.5-126.8 154.6 37.2 28.8 22.2 70 70 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 48,-0.2 -0.291 45.1 -97.6 -61.4 156.0 37.3 31.1 25.1 71 71 A R > - 0 0 51 46,-0.5 4,-2.0 9,-0.4 5,-0.3 -0.583 33.3-131.4 -65.7 139.4 37.3 34.9 24.6 72 72 A S H > S+ 0 0 104 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.936 99.7 35.5 -64.9 -49.1 40.8 36.1 24.8 73 73 A G H > S+ 0 0 48 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.931 120.4 46.3 -77.2 -42.8 40.4 39.0 27.2 74 74 A L H > S+ 0 0 7 2,-0.2 4,-1.8 1,-0.2 6,-1.5 0.881 113.8 50.0 -65.7 -35.6 37.7 37.5 29.3 75 75 A G H X S+ 0 0 6 -4,-2.0 4,-1.1 4,-0.2 -2,-0.2 0.948 118.8 38.1 -70.6 -43.5 39.6 34.2 29.6 76 76 A H H < S+ 0 0 150 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.948 123.9 37.4 -69.2 -50.7 42.8 36.0 30.6 77 77 A K H < S+ 0 0 149 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.864 136.1 15.3 -76.2 -33.4 41.4 38.7 32.8 78 78 A H H < S- 0 0 74 -4,-1.8 27,-0.4 -5,-0.4 -3,-0.2 0.430 94.5-120.2-121.4 -6.1 38.6 36.9 34.6 79 79 A G < + 0 0 0 -4,-1.1 25,-2.8 -5,-0.5 2,-1.0 0.714 56.3 152.4 71.7 22.4 39.3 33.2 33.9 80 80 A I E +D 103 0A 0 -6,-1.5 -9,-0.4 23,-0.2 -1,-0.2 -0.752 24.0 134.0 -90.2 105.7 36.0 32.6 32.1 81 81 A V E -D 102 0A 22 21,-3.2 21,-1.7 -2,-1.0 2,-0.4 -0.239 56.2 -66.1-134.5-153.7 37.0 29.7 29.8 82 82 A L E > -D 101 0A 2 19,-0.2 3,-1.3 3,-0.2 19,-0.2 -0.952 22.5-144.0-117.9 134.1 35.6 26.3 28.7 83 83 A G T 3 S+ 0 0 31 17,-1.9 -1,-0.1 -2,-0.4 18,-0.1 0.819 111.5 40.9 -64.1 -29.8 35.2 23.2 30.9 84 84 A N T 3 S- 0 0 95 16,-0.3 2,-2.3 1,-0.1 -1,-0.3 0.283 107.0-135.4 -99.5 10.4 36.1 21.0 28.0 85 85 A L S < S+ 0 0 113 -3,-1.3 2,-0.4 15,-0.2 -3,-0.2 -0.324 85.4 22.3 73.4 -54.1 38.9 23.6 27.0 86 86 A V S S- 0 0 74 -2,-2.3 2,-0.8 -17,-0.1 -17,-0.2 -0.978 77.4-146.6-140.1 123.7 38.0 23.5 23.2 87 87 A G E -I 68 0C 6 -19,-2.3 -19,-2.6 -2,-0.4 2,-0.4 -0.834 14.6-156.8 -97.7 111.5 34.6 22.5 22.1 88 88 A L E -I 67 0C 110 -2,-0.8 2,-0.6 -21,-0.2 -21,-0.2 -0.669 0.8-155.5 -91.9 131.6 34.8 20.7 18.8 89 89 A I E -I 66 0C 18 -23,-3.3 -23,-1.7 -2,-0.4 2,-0.1 -0.926 11.7-139.4-109.6 121.6 31.7 20.6 16.7 90 90 A D > - 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