==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-10 3MDX . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 139 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 55.4 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 . 38 27.3 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 . 1 0.7 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 . 17 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 7.9 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 . 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 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 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 8 A A 0 0 142 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.3 25.1 -11.2 17.3 2 9 A P - 0 0 54 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.313 360.0-127.3 -62.5 159.3 27.1 -8.8 15.2 3 10 A T - 0 0 113 54,-0.0 2,-0.6 -2,-0.0 0, 0.0 -0.965 9.6-151.3-118.0 131.3 25.2 -6.1 13.2 4 11 A L - 0 0 41 -2,-0.4 2,-0.3 54,-0.1 54,-0.2 -0.905 16.7-148.9 -98.1 117.6 25.6 -5.5 9.5 5 12 A G E -A 57 0A 22 52,-2.1 52,-2.9 -2,-0.6 2,-0.4 -0.667 10.6-165.1 -83.7 144.9 24.9 -1.8 8.6 6 13 A I E -A 56 0A 48 -2,-0.3 2,-0.5 50,-0.2 50,-0.2 -0.983 7.0-162.7-134.3 120.7 23.5 -1.0 5.2 7 14 A I E -A 55 0A 74 48,-2.8 48,-2.5 -2,-0.4 2,-0.5 -0.916 19.5-140.4-101.6 124.0 23.4 2.5 3.7 8 15 A R E -A 54 0A 107 -2,-0.5 46,-0.2 46,-0.2 2,-0.1 -0.779 9.4-149.0 -90.2 123.9 20.9 2.8 0.9 9 16 A L > - 0 0 50 44,-3.3 3,-2.1 -2,-0.5 4,-0.4 -0.417 35.9 -96.9 -82.5 164.0 21.9 4.8 -2.2 10 17 A E G > S+ 0 0 168 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.853 121.9 56.3 -55.1 -40.2 19.2 6.6 -4.2 11 18 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 3,-0.1 43,-0.1 0.603 103.0 56.8 -71.9 -9.7 18.8 3.8 -6.8 12 19 A A G X S+ 0 0 1 -3,-2.1 3,-1.8 41,-0.3 -1,-0.3 0.465 76.6 119.7 -95.1 -2.3 18.1 1.3 -4.1 13 20 A K T < S+ 0 0 45 -3,-1.7 3,-0.1 -4,-0.4 -4,-0.0 -0.401 78.8 23.4 -56.9 134.8 15.1 3.4 -2.8 14 21 A G T 3 S+ 0 0 80 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.222 98.9 109.4 90.9 -17.3 12.0 1.2 -3.1 15 22 A L S < S- 0 0 28 -3,-1.8 -1,-0.3 1,-0.1 2,-0.2 -0.663 76.2-107.8 -88.7 151.2 13.8 -2.1 -3.0 16 23 A D - 0 0 128 -2,-0.3 15,-0.2 -3,-0.1 3,-0.1 -0.544 38.0-119.7 -67.8 137.3 13.6 -4.6 -0.1 17 24 A L - 0 0 68 -2,-0.2 -1,-0.1 1,-0.1 13,-0.0 -0.435 42.5 -80.7 -69.4 156.7 16.9 -4.7 1.8 18 25 A P + 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.269 61.4 166.7 -55.1 145.5 18.7 -8.0 2.0 19 26 A A - 0 0 69 10,-0.3 10,-0.6 -3,-0.1 2,-0.4 -0.975 40.6-101.4-157.5 153.9 17.2 -10.3 4.7 20 27 A Y - 0 0 100 -2,-0.3 8,-0.1 8,-0.2 3,-0.1 -0.671 24.5-144.2 -78.5 132.4 17.5 -13.9 5.7 21 28 A E S S- 0 0 94 6,-0.5 2,-0.3 -2,-0.4 -1,-0.1 0.897 77.6 -5.2 -62.0 -43.8 14.4 -16.0 4.5 22 29 A T S > S- 0 0 87 -3,-0.0 3,-1.2 1,-0.0 -1,-0.1 -0.893 78.8 -94.7-140.5 172.8 14.4 -18.2 7.6 23 30 A A T 3 S+ 0 0 119 -2,-0.3 -2,-0.0 1,-0.2 -3,-0.0 0.693 125.0 54.6 -62.5 -21.8 16.4 -18.9 10.7 24 31 A G T 3 S+ 0 0 69 -4,-0.0 -1,-0.2 2,-0.0 -3,-0.0 0.605 80.7 115.3 -86.4 -13.9 18.0 -21.6 8.7 25 32 A S < - 0 0 41 -3,-1.2 -5,-0.1 1,-0.1 3,-0.1 -0.239 46.9-163.6 -64.8 145.3 19.2 -19.5 5.8 26 33 A A S S+ 0 0 70 1,-0.1 94,-0.4 93,-0.0 2,-0.3 0.702 70.5 26.1 -93.6 -29.6 22.9 -19.2 5.1 27 34 A G - 0 0 9 92,-0.1 -6,-0.5 -8,-0.1 2,-0.4 -0.825 67.6-126.9-132.5 168.4 22.8 -16.2 2.8 28 35 A M E -D 118 0B 14 90,-2.3 90,-2.8 -2,-0.3 2,-0.2 -0.976 31.7-117.8-116.5 134.5 20.7 -13.2 1.8 29 36 A D E -D 117 0B 55 -10,-0.6 2,-0.4 -2,-0.4 -10,-0.3 -0.456 24.1-148.0 -70.8 140.9 19.7 -12.6 -1.7 30 37 A L E -D 116 0B 10 86,-2.7 85,-2.8 -2,-0.2 86,-1.0 -0.890 12.1-148.0-109.1 140.2 21.0 -9.4 -3.4 31 38 A R E -D 114 0B 91 -2,-0.4 2,-0.5 83,-0.3 83,-0.2 -0.809 19.7-105.6-112.8 149.6 18.9 -7.6 -6.0 32 39 A A - 0 0 0 81,-2.3 80,-3.1 -2,-0.3 2,-0.3 -0.568 21.5-162.8 -72.6 122.6 19.8 -5.5 -9.0 33 40 A A + 0 0 2 18,-3.0 2,-0.1 -2,-0.5 -1,-0.1 -0.315 40.2 141.4-101.1 49.7 19.3 -1.8 -8.4 34 41 A V - 0 0 7 -2,-0.3 4,-0.0 1,-0.2 78,-0.0 -0.412 63.0 -71.7 -83.3 165.9 19.3 -1.0 -12.1 35 42 A A > - 0 0 35 -2,-0.1 3,-1.2 1,-0.1 76,-0.4 -0.247 52.7-107.0 -59.5 140.7 16.9 1.7 -13.6 36 43 A E T 3 S+ 0 0 132 1,-0.2 -1,-0.1 74,-0.1 3,-0.1 -0.343 104.5 21.7 -59.3 145.9 13.2 0.8 -13.8 37 44 A D T 3 S+ 0 0 162 1,-0.2 2,-0.4 74,-0.1 -1,-0.2 0.634 99.1 114.0 72.0 15.4 12.1 0.1 -17.4 38 45 A R < - 0 0 156 -3,-1.2 2,-0.6 -4,-0.0 73,-0.5 -0.972 49.8-161.6-118.3 126.7 15.6 -0.7 -18.5 39 46 A Q - 0 0 89 -2,-0.4 2,-0.5 71,-0.1 71,-0.2 -0.967 11.8-152.4-110.9 117.9 16.6 -4.2 -19.7 40 47 A I E -G 109 0C 53 69,-2.7 69,-3.1 -2,-0.6 2,-0.5 -0.804 10.1-141.4 -91.2 129.1 20.4 -4.7 -19.6 41 48 A V E -G 108 0C 75 -2,-0.5 2,-0.6 67,-0.2 67,-0.2 -0.781 15.7-172.8 -98.3 124.4 21.6 -7.3 -22.1 42 49 A L E -G 107 0C 5 65,-3.1 65,-2.1 -2,-0.5 3,-0.1 -0.939 17.3-156.0-116.7 107.9 24.5 -9.6 -21.1 43 50 A L > - 0 0 80 -2,-0.6 3,-2.3 63,-0.2 58,-0.4 -0.312 36.6 -68.6 -82.7 163.4 25.6 -11.6 -24.2 44 51 A P T 3 S+ 0 0 55 0, 0.0 58,-0.2 0, 0.0 -1,-0.2 -0.266 121.4 10.7 -54.5 130.2 27.3 -15.0 -24.1 45 52 A G T 3 S+ 0 0 48 56,-3.1 2,-0.2 1,-0.3 57,-0.1 0.249 102.9 119.7 88.3 -11.5 30.8 -14.7 -22.7 46 53 A R < - 0 0 168 -3,-2.3 55,-2.4 55,-0.1 2,-0.3 -0.502 44.9-157.6 -93.0 156.4 30.4 -11.1 -21.5 47 54 A R E + B 0 100A 161 53,-0.2 2,-0.3 -2,-0.2 53,-0.2 -0.928 12.9 170.9-129.1 152.4 30.7 -9.7 -18.0 48 55 A T E - B 0 99A 52 51,-2.2 51,-2.1 -2,-0.3 2,-0.5 -0.984 34.3-110.0-154.9 156.7 29.3 -6.6 -16.3 49 56 A L E - B 0 98A 96 -2,-0.3 49,-0.2 49,-0.2 -2,-0.0 -0.778 28.7-158.4 -88.1 127.9 29.0 -5.0 -12.9 50 57 A V E - B 0 97A 3 47,-2.8 47,-2.4 -2,-0.5 2,-0.1 -0.917 16.2-130.3-108.2 120.5 25.5 -4.9 -11.6 51 58 A P E - B 0 96A 31 0, 0.0 -18,-3.0 0, 0.0 45,-0.2 -0.445 19.9-173.1 -71.5 142.6 24.7 -2.2 -9.0 52 59 A T E - 0 0 4 43,-1.8 -21,-0.2 -20,-0.2 44,-0.1 0.547 34.8-132.3 -98.7 -17.5 23.0 -3.1 -5.7 53 60 A G E + 0 0 0 42,-0.4 -44,-3.3 1,-0.2 2,-0.4 0.656 67.6 120.8 69.2 17.9 22.6 0.5 -4.5 54 61 A L E -A 8 0A 11 41,-0.5 41,-3.1 -46,-0.2 2,-0.5 -0.930 49.9-161.1-118.7 135.6 24.0 -0.7 -1.1 55 62 A I E -AB 7 94A 29 -48,-2.5 -48,-2.8 -2,-0.4 2,-0.5 -0.961 21.6-147.2-104.2 126.8 26.9 0.3 1.0 56 63 A L E -A 6 0A 11 37,-0.6 2,-0.8 -2,-0.5 -50,-0.2 -0.831 11.1-161.2 -95.3 134.7 27.8 -2.3 3.6 57 64 A E E -A 5 0A 82 -52,-2.9 -52,-2.1 -2,-0.5 32,-0.1 -0.850 18.8-172.9-110.3 89.4 29.3 -1.3 7.0 58 65 A I - 0 0 2 -2,-0.8 -54,-0.1 30,-0.3 3,-0.1 -0.762 23.6-119.9 -83.5 128.5 30.7 -4.6 8.0 59 66 A P > - 0 0 42 0, 0.0 3,-1.4 0, 0.0 30,-0.1 -0.277 37.8 -83.5 -70.5 150.8 32.0 -4.6 11.6 60 67 A Q T 3 S+ 0 0 155 1,-0.2 3,-0.1 29,-0.1 28,-0.0 -0.285 117.4 35.3 -44.6 132.4 35.7 -5.3 12.4 61 68 A G T 3 S+ 0 0 23 1,-0.3 62,-2.6 -3,-0.1 2,-0.3 0.417 107.1 82.1 97.0 1.7 36.2 -9.1 12.6 62 69 A Y E < -E 122 0B 68 -3,-1.4 27,-0.4 60,-0.3 -1,-0.3 -0.907 51.7-167.7-136.5 161.8 33.8 -10.0 9.8 63 70 A E E -E 121 0B 33 58,-2.8 58,-2.4 -2,-0.3 2,-0.4 -0.914 18.1-130.7-137.4 167.0 33.5 -10.2 6.0 64 71 A V E -EF 120 87B 1 23,-2.5 23,-2.7 -2,-0.3 2,-0.5 -0.989 15.9-155.5-120.2 134.1 30.8 -10.6 3.4 65 72 A Q E -EF 119 86B 33 54,-2.9 54,-2.5 -2,-0.4 2,-0.7 -0.935 7.8-147.4-106.3 126.5 31.2 -13.2 0.6 66 73 A I E +EF 118 85B 8 19,-2.2 19,-2.3 -2,-0.5 52,-0.2 -0.868 27.8 179.2 -96.0 112.6 29.3 -12.6 -2.6 67 74 A R E -E 117 0B 87 50,-3.2 50,-2.7 -2,-0.7 2,-0.0 -0.812 28.4 -95.2-115.4 159.6 28.3 -16.0 -4.0 68 75 A P - 0 0 31 0, 0.0 2,-0.5 0, 0.0 48,-0.2 -0.321 31.3-117.2 -74.1 153.6 26.3 -17.1 -7.0 69 76 A R > - 0 0 53 46,-0.4 4,-1.5 1,-0.1 5,-0.1 -0.742 21.1-142.6 -85.4 133.8 22.7 -17.9 -7.1 70 77 A S H > S+ 0 0 97 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.887 93.6 53.5 -69.7 -38.2 22.3 -21.5 -8.0 71 78 A G H > S+ 0 0 47 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.910 108.3 48.7 -66.3 -43.2 19.1 -21.2 -10.2 72 79 A L H >>S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 6,-1.6 0.872 111.2 52.6 -58.7 -40.9 20.6 -18.5 -12.5 73 80 A A H X5S+ 0 0 39 -4,-1.5 4,-1.2 4,-0.2 -2,-0.2 0.953 116.9 37.3 -63.6 -47.2 23.7 -20.6 -12.9 74 81 A F H <5S+ 0 0 189 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.971 123.7 38.2 -66.1 -54.1 21.7 -23.7 -13.9 75 82 A K H <5S+ 0 0 69 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.901 137.1 13.0 -68.7 -39.6 18.9 -22.1 -16.0 76 83 A N H <5S- 0 0 64 -4,-1.8 29,-0.4 -5,-0.4 27,-0.3 0.505 92.3-117.6-118.8 -13.5 21.0 -19.4 -17.7 77 84 A G << + 0 0 21 -4,-1.2 25,-2.8 -5,-0.7 2,-0.4 0.695 64.5 146.0 74.1 20.1 24.7 -20.2 -17.2 78 85 A I E +C 101 0A 2 -6,-1.6 2,-0.3 23,-0.2 -1,-0.3 -0.700 16.2 157.0 -89.0 134.8 25.2 -16.9 -15.2 79 86 A T E -C 100 0A 35 21,-2.2 21,-2.5 -2,-0.4 2,-0.6 -0.902 48.6 -92.0-142.5 179.9 27.6 -16.7 -12.4 80 87 A C E > -C 99 0A 2 -2,-0.3 3,-1.5 19,-0.2 19,-0.2 -0.864 31.8-154.3 -94.7 118.0 29.7 -14.3 -10.3 81 88 A L T 3 S+ 0 0 84 17,-2.2 -1,-0.1 -2,-0.6 18,-0.1 0.846 91.9 44.6 -67.1 -35.9 33.1 -14.2 -12.0 82 89 A N T 3 S- 0 0 88 16,-0.4 -1,-0.3 -3,-0.1 4,-0.2 0.116 97.6-167.7 -93.0 22.9 35.0 -13.1 -8.9 83 90 A T < + 0 0 62 -3,-1.5 -16,-0.1 1,-0.2 2,-0.1 -0.230 68.6 31.4 -65.8 143.1 33.2 -15.6 -6.6 84 91 A P S S- 0 0 69 0, 0.0 2,-0.3 0, 0.0 -17,-0.2 0.584 91.8-155.4 -77.7 126.6 33.3 -15.7 -3.7 85 92 A G E -F 66 0B 3 -19,-2.3 -19,-2.2 -2,-0.1 2,-0.5 -0.581 10.9-137.2 -69.6 126.5 33.6 -12.0 -3.9 86 93 A T E -F 65 0B 101 -2,-0.3 2,-0.5 -21,-0.2 -21,-0.2 -0.788 21.9-178.2 -96.9 123.7 35.3 -10.7 -0.7 87 94 A I E -F 64 0B 14 -23,-2.7 -23,-2.5 -2,-0.5 2,-0.1 -0.984 16.0-160.4-116.5 120.4 33.9 -7.6 0.9 88 95 A D > - 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