==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUN-09 3HZA . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR I.LEVELES,V.HARMAT,I.PECSI,J.TOTH,B.G.VERTESSY . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11285.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 50.6 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 . 36 22.2 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 . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 -7 A G 0 0 135 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -5.6 -10.5 34.7 24.5 2 -6 A L - 0 0 163 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.674 360.0-134.7 -79.6 127.9 -13.3 34.2 27.0 3 -5 A V - 0 0 77 -2,-0.4 5,-0.1 2,-0.0 -1,-0.0 -0.789 27.4-125.1 -79.3 116.7 -15.7 31.4 26.2 4 -4 A P > - 0 0 72 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.347 19.9-114.7 -66.5 147.8 -19.1 32.8 26.8 5 -3 A R G > S+ 0 0 80 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.818 119.9 58.6 -50.5 -38.0 -21.1 30.7 29.3 6 -2 A G G 3 S+ 0 0 78 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.796 109.4 42.2 -53.6 -38.8 -23.4 30.1 26.3 7 -1 A S G X S+ 0 0 51 -3,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.147 76.9 113.1 -99.6 15.4 -20.6 28.6 24.2 8 0 A H T < S+ 0 0 130 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.860 80.7 47.7 -54.3 -38.7 -19.0 26.5 27.0 9 1 A M T 3 S+ 0 0 174 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.272 82.1 132.1 -83.9 1.6 -19.9 23.3 25.2 10 2 A S < - 0 0 85 -3,-1.7 2,-0.3 1,-0.1 -3,-0.0 -0.335 55.6-118.1 -75.2 141.9 -18.7 24.3 21.7 11 3 A T - 0 0 76 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.506 15.3-140.7 -85.5 130.8 -16.6 21.8 19.8 12 4 A T - 0 0 119 -2,-0.3 2,-0.5 49,-0.0 -1,-0.0 -0.688 12.0-158.6 -91.1 143.0 -13.0 22.4 18.7 13 5 A L - 0 0 54 -2,-0.3 2,-0.2 48,-0.1 48,-0.1 -0.955 12.3-139.0-123.7 109.2 -11.9 21.2 15.2 14 6 A A E -A 60 0A 68 46,-0.5 46,-1.9 -2,-0.5 2,-0.4 -0.509 28.6-175.0 -64.8 137.0 -8.3 20.6 14.6 15 7 A I E -A 59 0A 60 44,-0.2 2,-0.5 -2,-0.2 44,-0.2 -0.999 19.6-158.6-141.1 137.0 -7.3 21.9 11.1 16 8 A V E -A 58 0A 86 42,-2.7 42,-1.8 -2,-0.4 2,-1.3 -0.970 16.2-142.2-111.8 124.1 -4.2 21.8 9.0 17 9 A R E +A 57 0A 103 -2,-0.5 40,-0.2 40,-0.2 39,-0.1 -0.717 20.1 178.9 -84.5 93.1 -3.9 24.3 6.2 18 10 A L S S+ 0 0 87 -2,-1.3 39,-0.2 38,-1.0 -1,-0.2 0.826 85.6 43.0 -60.4 -31.6 -2.2 22.1 3.6 19 11 A D S > S- 0 0 37 37,-2.1 3,-1.6 -3,-0.2 -1,-0.3 -0.904 75.3-173.8-113.8 94.0 -2.4 25.2 1.4 20 12 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.595 74.4 74.7 -67.7 -9.6 -1.4 28.1 3.7 21 13 A G T 3 S+ 0 0 58 2,-0.1 35,-0.0 19,-0.0 -3,-0.0 0.522 84.3 79.0 -80.0 -7.7 -2.2 30.7 1.1 22 14 A L S < S- 0 0 8 -3,-1.6 -3,-0.0 34,-0.1 18,-0.0 -0.811 88.1-110.0 -98.8 146.2 -5.9 30.2 1.7 23 15 A P - 0 0 64 0, 0.0 15,-0.2 0, 0.0 3,-0.1 -0.269 42.7 -93.9 -63.5 155.1 -7.8 31.8 4.6 24 16 A L - 0 0 84 1,-0.1 12,-0.1 -4,-0.1 33,-0.0 -0.532 54.0 -92.9 -61.7 141.2 -9.1 29.5 7.3 25 17 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 12,-0.1 -0.264 55.4-175.6 -53.2 141.6 -12.7 28.4 6.5 26 18 A S - 0 0 60 10,-0.5 10,-2.6 -3,-0.1 2,-0.3 -0.951 30.8-105.7-142.6 157.1 -15.2 30.8 8.3 27 19 A R - 0 0 148 -2,-0.3 8,-0.2 8,-0.3 3,-0.1 -0.677 24.1-142.0 -76.9 134.0 -18.8 31.2 8.9 28 20 A A S S+ 0 0 57 6,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.888 83.3 10.2 -67.0 -36.1 -20.3 34.1 6.8 29 21 A H S > S- 0 0 135 -3,-0.0 3,-2.3 0, 0.0 -1,-0.2 -0.976 96.6 -80.9-141.1 150.2 -22.6 35.2 9.7 30 22 A D T 3 S+ 0 0 164 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.245 116.9 19.0 -48.5 132.4 -23.0 34.4 13.3 31 23 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.314 84.8 149.7 86.7 -10.7 -24.9 31.2 13.8 32 24 A D < - 0 0 65 -3,-2.3 -1,-0.3 1,-0.1 -5,-0.1 -0.286 49.7-130.5 -61.1 147.5 -24.4 30.0 10.2 33 25 A A S S+ 0 0 77 -3,-0.1 91,-0.4 90,-0.1 2,-0.3 0.772 78.2 32.3 -74.5 -29.5 -24.3 26.2 10.1 34 26 A G - 0 0 4 89,-0.1 2,-0.4 -8,-0.1 -6,-0.4 -0.849 68.5-123.7-128.8 164.2 -21.1 25.7 8.1 35 27 A V E -B 122 0B 28 87,-2.2 87,-3.0 -2,-0.3 2,-0.4 -0.875 41.3-113.4-100.4 139.8 -17.7 27.2 7.4 36 28 A D E -B 121 0B 11 -10,-2.6 -10,-0.5 -2,-0.4 2,-0.4 -0.576 25.0-142.8 -81.3 132.2 -17.0 27.9 3.8 37 29 A L E -B 120 0B 1 83,-2.2 82,-1.8 -2,-0.4 83,-1.0 -0.734 13.5-140.6 -90.5 139.0 -14.4 25.8 2.0 38 30 A Y E -B 118 0B 29 17,-0.4 2,-0.5 -2,-0.4 80,-0.2 -0.608 15.0-116.4 -91.5 153.5 -12.1 27.4 -0.5 39 31 A S - 0 0 0 78,-2.4 77,-2.9 75,-0.3 16,-0.2 -0.798 14.5-159.7 -83.1 134.0 -10.9 25.9 -3.7 40 32 A A S S+ 0 0 18 14,-3.0 2,-0.3 -2,-0.5 75,-0.2 0.525 72.3 44.5 -83.1 -9.5 -7.1 25.5 -3.8 41 33 A E S S- 0 0 54 13,-0.5 2,-0.5 73,-0.2 76,-0.2 -0.906 78.7-111.4-137.6 160.2 -7.1 25.4 -7.6 42 34 A D + 0 0 110 -2,-0.3 2,-0.3 72,-0.2 72,-0.2 -0.794 43.3 165.7 -85.0 130.2 -8.4 26.8 -10.8 43 35 A V E -E 113 0C 29 70,-2.3 70,-2.8 -2,-0.5 2,-0.5 -0.969 25.7-152.6-151.9 139.2 -10.7 24.5 -12.7 44 36 A E E -E 112 0C 127 -2,-0.3 2,-0.6 68,-0.2 68,-0.2 -0.949 11.6-160.4-112.2 125.3 -13.2 25.0 -15.6 45 37 A L E -E 111 0C 4 66,-3.1 66,-2.4 -2,-0.5 3,-0.1 -0.940 5.2-152.2-110.3 109.7 -16.2 22.7 -15.8 46 38 A A > - 0 0 44 -2,-0.6 3,-2.3 64,-0.2 58,-0.3 -0.330 51.4 -65.6 -64.3 159.8 -18.0 22.3 -19.1 47 39 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 58,-0.2 -0.224 124.9 9.9 -48.7 127.4 -21.7 21.4 -18.9 48 40 A G T 3 S+ 0 0 49 56,-2.6 2,-0.2 58,-0.4 57,-0.1 0.274 100.6 122.2 87.8 -10.5 -22.1 18.0 -17.4 49 41 A R < - 0 0 160 -3,-2.3 55,-2.3 55,-0.1 2,-0.3 -0.523 42.7-159.0 -88.8 155.2 -18.5 17.6 -16.3 50 42 A R E -F 103 0D 174 53,-0.2 2,-0.3 -2,-0.2 53,-0.2 -0.857 5.2-169.1-126.9 160.6 -17.2 16.9 -12.8 51 43 A A E -F 102 0D 27 51,-2.3 51,-1.1 -2,-0.3 2,-0.7 -0.981 26.4-124.8-148.6 154.4 -13.9 17.4 -11.1 52 44 A L E -F 101 0D 92 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 -0.928 38.8-164.0-104.3 107.8 -12.3 16.4 -7.8 53 45 A V E -F 100 0D 1 47,-3.0 47,-2.6 -2,-0.7 2,-0.3 -0.792 13.8-131.7-108.5 129.1 -11.2 19.7 -6.3 54 46 A R E -F 99 0D 77 -2,-0.4 -14,-3.0 45,-0.2 -13,-0.5 -0.584 10.9-166.3 -76.7 140.4 -8.7 20.2 -3.5 55 47 A T - 0 0 2 43,-1.8 -17,-0.4 2,-0.3 -1,-0.1 0.459 35.7-123.6-100.7 -9.4 -9.7 22.5 -0.7 56 48 A G S S+ 0 0 0 42,-0.3 -37,-2.1 1,-0.2 -38,-1.0 0.600 75.7 98.3 76.7 13.7 -6.3 22.9 0.9 57 49 A V E -A 17 0A 6 41,-0.4 41,-3.1 -40,-0.2 2,-0.3 -0.952 48.9-166.2-135.7 152.0 -7.4 21.7 4.4 58 50 A A E -A 16 0A 9 -42,-1.8 -42,-2.7 -2,-0.3 2,-0.3 -0.974 18.5-171.1-126.0 140.9 -7.4 18.6 6.4 59 51 A V E -A 15 0A 4 37,-0.5 2,-0.5 -2,-0.3 -44,-0.2 -0.886 25.2-135.5-130.2 163.4 -9.5 18.3 9.6 60 52 A A E -A 14 0A 27 -46,-1.9 -46,-0.5 -2,-0.3 32,-0.1 -0.808 22.6-158.6-118.6 87.5 -9.9 15.9 12.5 61 53 A V - 0 0 2 -2,-0.5 4,-0.1 30,-0.4 3,-0.1 -0.465 32.1-105.4 -61.4 130.3 -13.7 15.5 13.0 62 54 A P > - 0 0 34 0, 0.0 3,-2.0 0, 0.0 30,-0.1 -0.238 36.8 -95.6 -59.2 147.1 -14.2 14.3 16.6 63 55 A F T 3 S+ 0 0 181 1,-0.3 3,-0.1 29,-0.1 28,-0.0 -0.398 117.4 35.0 -58.2 133.7 -15.1 10.6 17.2 64 56 A G T 3 S+ 0 0 24 1,-0.4 63,-2.4 -3,-0.1 -1,-0.3 0.386 111.0 81.6 93.4 1.5 -18.8 10.5 17.5 65 57 A M E < -C 126 0B 28 -3,-2.0 27,-0.5 61,-0.3 -1,-0.4 -0.734 61.8-147.3-128.0 173.1 -19.3 13.3 14.9 66 58 A V E -C 125 0B 17 59,-2.3 59,-2.2 -2,-0.2 2,-0.4 -0.983 11.9-135.5-139.5 143.4 -19.3 13.6 11.2 67 59 A G E -CD 124 90B 0 23,-2.5 23,-3.2 -2,-0.3 2,-0.4 -0.849 22.3-157.7 -96.6 145.2 -18.2 16.4 8.8 68 60 A L E -CD 123 89B 20 55,-2.7 55,-2.7 -2,-0.4 2,-0.7 -0.988 7.9-151.5-131.5 123.3 -20.6 17.2 6.0 69 61 A V E -CD 122 88B 3 19,-2.2 19,-2.5 -2,-0.4 53,-0.2 -0.858 23.5-179.7 -98.4 113.3 -19.8 18.9 2.7 70 62 A H E -C 121 0B 54 51,-2.9 51,-2.3 -2,-0.7 -2,-0.0 -0.884 27.4-112.3-115.7 148.1 -22.7 20.8 1.4 71 63 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 49,-0.2 -0.336 33.7-111.9 -69.0 156.0 -23.1 22.9 -1.8 72 64 A R > - 0 0 74 47,-0.4 4,-1.3 1,-0.1 9,-0.1 -0.680 19.3-136.8 -82.9 143.5 -23.6 26.6 -1.6 73 65 A S H > S+ 0 0 102 -2,-0.3 4,-2.4 2,-0.2 5,-0.3 0.884 95.7 57.2 -72.9 -36.7 -27.0 27.8 -2.7 74 66 A G H > S+ 0 0 34 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.960 110.0 42.3 -64.6 -49.2 -26.0 30.8 -4.7 75 67 A L H >>S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 6,-1.8 0.845 111.4 58.9 -64.2 -31.3 -23.7 29.0 -7.1 76 68 A A H X5S+ 0 0 43 -4,-1.3 4,-1.0 4,-0.3 -1,-0.2 0.955 116.3 30.7 -62.7 -49.7 -26.3 26.2 -7.3 77 69 A T H <5S+ 0 0 122 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.920 122.9 47.6 -76.7 -41.4 -29.0 28.5 -8.6 78 70 A R H <5S+ 0 0 125 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.897 135.3 3.6 -71.2 -39.3 -26.9 31.0 -10.5 79 71 A V H <5S- 0 0 53 -4,-2.0 27,-0.3 -5,-0.3 -3,-0.2 0.382 97.3-108.1-131.3 3.4 -24.7 28.6 -12.5 80 72 A G << + 0 0 17 -4,-1.0 25,-2.7 -5,-0.7 2,-0.3 0.719 56.0 165.2 78.0 21.5 -25.9 25.1 -11.7 81 73 A L E +G 104 0D 10 -6,-1.8 2,-0.2 23,-0.2 -1,-0.2 -0.567 6.6 158.7 -74.5 133.8 -23.0 24.1 -9.6 82 74 A S E -G 103 0D 34 21,-2.6 21,-2.2 -2,-0.3 2,-0.4 -0.768 39.6-113.9-139.0-175.6 -23.5 20.9 -7.5 83 75 A I E > -G 102 0D 6 19,-0.3 3,-1.7 -2,-0.2 19,-0.2 -0.996 16.9-144.8-130.3 124.0 -21.6 18.2 -5.7 84 76 A V T 3 S+ 0 0 81 17,-2.7 -1,-0.1 -2,-0.4 18,-0.1 0.899 100.1 34.4 -61.6 -45.4 -21.8 14.7 -7.0 85 77 A N T 3 S- 0 0 92 16,-0.2 -1,-0.3 4,-0.0 -16,-0.1 0.116 97.2-168.4 -96.9 23.2 -21.7 12.9 -3.6 86 78 A S S < S+ 0 0 50 -3,-1.7 -16,-0.1 15,-0.2 2,-0.1 -0.325 70.5 39.8 -61.4 140.1 -23.6 15.6 -1.7 87 79 A P S S- 0 0 65 0, 0.0 -17,-0.2 0, 0.0 -1,-0.2 0.442 93.4-147.8 -77.6 131.4 -23.7 15.7 1.2 88 80 A G E -D 69 0B 2 -19,-2.5 -19,-2.2 1,-0.1 2,-0.7 -0.438 10.5-138.6 -68.9 138.6 -20.1 14.6 1.3 89 81 A T E -D 68 0B 84 -21,-0.2 2,-0.7 -4,-0.1 -21,-0.2 -0.878 14.9-166.7-113.3 104.1 -19.4 12.5 4.4 90 82 A I E -D 67 0B 18 -23,-3.2 -23,-2.5 -2,-0.7 2,-0.1 -0.823 18.3-141.0 -92.8 113.0 -16.1 13.2 6.2 91 83 A D > - 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