==== 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 01-SEP-95 1DUP . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Z.DAUTER,K.S.WILSON,G.LARSSON,P.O.NYMAN,E.CEDERGREN . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 28.7 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 . 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 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 4.4 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 . 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 M 0 0 213 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 33.1 8.2 42.5 52.2 2 2 A M - 0 0 153 3,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.369 360.0-169.4 -89.7 164.3 6.8 39.3 51.3 3 3 A K - 0 0 122 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.870 34.4-120.2-152.0 131.4 3.5 37.7 51.1 4 4 A K - 0 0 191 -2,-0.3 2,-0.4 55,-0.0 -2,-0.0 -0.694 32.5-168.2 -78.3 134.2 3.5 33.9 50.6 5 5 A I - 0 0 42 -2,-0.4 2,-0.2 55,-0.1 54,-0.2 -1.000 20.1-124.0-128.8 130.6 1.6 33.1 47.4 6 6 A D E -A 58 0A 113 52,-1.0 52,-2.2 -2,-0.4 2,-0.4 -0.480 30.2-172.3 -74.2 135.9 0.5 29.6 46.4 7 7 A V E -A 57 0A 84 50,-0.2 2,-0.4 -2,-0.2 50,-0.2 -0.984 8.9-163.4-132.8 140.4 1.8 28.4 43.1 8 8 A K E -A 56 0A 131 48,-2.6 48,-2.0 -2,-0.4 2,-0.5 -0.988 17.5-133.2-125.8 137.5 0.9 25.3 41.2 9 9 A I E +A 55 0A 79 -2,-0.4 46,-0.2 46,-0.2 45,-0.1 -0.788 22.8 176.5 -93.4 122.9 2.9 23.8 38.3 10 10 A L + 0 0 71 44,-3.2 45,-0.2 -2,-0.5 -1,-0.1 0.592 66.6 51.5-102.0 -18.8 0.8 22.8 35.3 11 11 A D S > S- 0 0 36 43,-1.3 3,-1.7 42,-0.1 -1,-0.2 -0.979 73.0-139.9-128.4 128.8 3.6 21.8 32.8 12 12 A P T 3 S+ 0 0 120 0, 0.0 5,-0.1 0, 0.0 4,-0.1 0.660 98.8 67.8 -61.5 -16.1 6.4 19.2 33.8 13 13 A R T >>>S+ 0 0 50 3,-0.2 4,-1.8 2,-0.1 3,-1.6 0.750 76.0 102.2 -75.9 -23.0 9.0 21.3 31.9 14 14 A V B <45S+d 18 0B 11 -3,-1.7 6,-0.1 1,-0.3 -5,-0.0 -0.467 95.7 9.0 -68.4 127.3 8.7 24.1 34.4 15 15 A G T 345S+ 0 0 46 3,-3.3 -1,-0.3 -2,-0.3 5,-0.1 0.225 131.4 60.2 88.3 -12.7 11.6 23.9 36.9 16 16 A K T <45S+ 0 0 174 -3,-1.6 -2,-0.2 2,-0.4 -3,-0.2 0.798 117.1 19.2-107.0 -70.7 13.3 21.3 34.6 17 17 A E T <5S+ 0 0 132 -4,-1.8 -3,-0.2 1,-0.2 -4,-0.1 0.721 142.4 10.0 -76.0 -23.0 13.8 22.9 31.2 18 18 A F B S- 0 0 83 -3,-0.1 3,-1.2 1,-0.0 -1,-0.0 -0.867 80.4-105.2-134.5 170.3 18.0 41.1 43.2 26 26 A S T 3 S+ 0 0 137 -2,-0.3 -2,-0.0 1,-0.2 -3,-0.0 0.592 121.6 50.7 -78.0 -8.7 16.6 41.9 46.6 27 27 A G T 3 S+ 0 0 71 -4,-0.0 -1,-0.2 0, 0.0 2,-0.2 0.225 83.9 121.1-104.9 9.0 15.5 45.4 45.4 28 28 A S < - 0 0 41 -3,-1.2 -5,-0.1 1,-0.1 3,-0.0 -0.484 47.1-163.5 -73.4 138.5 13.8 44.0 42.3 29 29 A A + 0 0 77 -2,-0.2 93,-0.5 92,-0.0 2,-0.3 0.763 66.4 46.0 -91.9 -29.6 10.1 44.9 42.0 30 30 A G - 0 0 17 91,-0.1 -6,-0.5 -8,-0.0 2,-0.4 -0.788 64.3-137.4-122.7 165.4 9.1 42.3 39.3 31 31 A L E -E 120 0C 17 89,-2.3 89,-2.4 -2,-0.3 2,-0.3 -0.956 27.1-126.4-109.3 133.4 9.5 38.7 38.4 32 32 A D E -E 119 0C 40 -10,-0.6 2,-0.4 -2,-0.4 87,-0.2 -0.595 21.2-150.2 -82.0 140.0 10.2 37.7 34.7 33 33 A L E -E 118 0C 2 85,-2.8 84,-2.4 -2,-0.3 85,-1.0 -0.867 10.8-144.2-107.1 141.8 7.8 35.1 33.2 34 34 A R E -E 116 0C 74 -2,-0.4 2,-0.5 82,-0.3 82,-0.3 -0.803 20.7-103.4-113.4 154.1 9.0 32.7 30.5 35 35 A A - 0 0 0 80,-2.4 79,-3.0 77,-0.3 2,-1.2 -0.559 24.5-157.2 -72.5 118.4 7.3 31.2 27.4 36 36 A C + 0 0 4 16,-2.6 2,-0.3 -2,-0.5 18,-0.2 -0.777 39.2 152.0 -96.6 86.4 6.2 27.5 28.1 37 37 A L - 0 0 22 -2,-1.2 3,-0.1 1,-0.1 14,-0.0 -0.898 51.1-151.4-122.6 150.7 6.1 26.5 24.4 38 38 A N S S+ 0 0 120 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.864 91.2 17.5 -84.9 -39.5 6.6 23.2 22.6 39 39 A D S S- 0 0 128 73,-0.1 -1,-0.3 72,-0.0 72,-0.1 -0.950 92.3 -95.3-131.4 153.0 7.9 25.1 19.5 40 40 A A - 0 0 45 -2,-0.3 2,-0.5 -3,-0.1 72,-0.2 -0.266 38.3-141.5 -65.1 150.8 9.1 28.6 18.8 41 41 A V E -H 111 0D 39 70,-2.0 70,-3.4 2,-0.0 2,-0.5 -0.980 5.0-147.8-119.7 122.9 6.4 31.0 17.6 42 42 A E E -H 110 0D 129 -2,-0.5 2,-0.6 68,-0.3 68,-0.3 -0.823 10.4-160.0 -93.7 122.6 7.2 33.6 14.9 43 43 A L E -H 109 0D 3 66,-3.4 66,-2.0 -2,-0.5 3,-0.1 -0.925 3.6-154.2-104.1 115.5 5.2 36.9 15.1 44 44 A A > - 0 0 36 -2,-0.6 3,-2.4 64,-0.2 59,-0.3 -0.404 49.1 -69.8 -77.8 164.7 4.9 39.1 12.1 45 45 A P T 3 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 59,-0.2 -0.266 125.5 17.0 -53.1 128.1 4.4 42.8 12.6 46 46 A G T 3 S+ 0 0 49 57,-2.8 2,-0.1 1,-0.3 58,-0.1 0.217 95.3 126.7 92.6 -17.9 0.9 43.3 14.0 47 47 A D < - 0 0 73 -3,-2.4 56,-2.4 55,-0.1 2,-0.3 -0.318 40.4-161.3 -74.7 156.6 0.3 39.6 15.1 48 48 A T E - B 0 102A 85 54,-0.2 2,-0.3 -3,-0.1 54,-0.2 -0.921 8.6-178.9-131.7 155.0 -0.8 38.6 18.6 49 49 A T E - B 0 101A 42 52,-1.7 52,-3.2 -2,-0.3 2,-0.6 -0.974 27.0-125.4-151.0 152.6 -0.5 35.2 20.2 50 50 A L E - B 0 100A 103 -2,-0.3 50,-0.2 50,-0.2 -2,-0.0 -0.916 28.7-161.4-106.6 120.5 -1.5 33.8 23.6 51 51 A V E - B 0 99A 0 48,-3.0 48,-3.2 -2,-0.6 2,-0.1 -0.881 9.3-137.5-107.7 126.5 1.5 32.2 25.4 52 52 A P E - B 0 98A 35 0, 0.0 -16,-2.6 0, 0.0 46,-0.2 -0.415 7.1-161.3 -76.9 151.8 1.2 29.8 28.3 53 53 A T E - 0 0 3 44,-1.4 -19,-0.2 2,-0.3 -42,-0.1 0.512 32.4-127.8-104.3 -15.0 3.4 30.0 31.3 54 54 A G E S+ 0 0 0 43,-0.3 -44,-3.2 1,-0.2 -43,-1.3 0.605 78.3 101.6 74.1 11.3 2.8 26.4 32.6 55 55 A L E -A 9 0A 9 42,-0.4 42,-2.7 -46,-0.2 2,-0.3 -0.930 50.7-169.6-128.1 151.8 2.0 28.1 36.0 56 56 A A E -AB 8 96A 4 -48,-2.0 -48,-2.6 -2,-0.3 2,-0.3 -0.997 10.6-163.1-140.2 140.2 -1.0 29.1 38.1 57 57 A I E -A 7 0A 13 38,-0.6 2,-0.4 -2,-0.3 -50,-0.2 -0.862 12.0-156.4-120.3 161.8 -1.1 31.3 41.2 58 58 A H E +A 6 0A 55 -52,-2.2 -52,-1.0 -2,-0.3 36,-0.1 -0.814 10.3 179.5-139.0 95.3 -3.6 31.8 43.9 59 59 A I + 0 0 8 34,-0.4 2,-1.6 -2,-0.4 33,-0.1 0.938 11.1 179.1 -62.8 -45.9 -3.1 35.2 45.6 60 60 A A + 0 0 56 31,-2.3 -1,-0.2 30,-0.2 31,-0.1 -0.107 47.2 96.8 69.1 -38.4 -6.1 34.6 47.9 61 61 A D > - 0 0 44 -2,-1.6 3,-1.8 1,-0.1 -1,-0.1 -0.719 64.7-151.2 -84.2 116.9 -5.8 38.0 49.8 62 62 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.539 91.5 69.7 -68.5 -6.2 -8.3 40.5 48.3 63 63 A S T 3 S+ 0 0 70 61,-0.1 62,-1.6 63,-0.1 2,-0.3 0.331 97.0 61.7 -88.6 1.1 -6.0 43.3 49.3 64 64 A L E < +F 124 0C 25 -3,-1.8 2,-0.3 60,-0.3 27,-0.2 -0.972 55.6 172.7-132.5 146.5 -3.4 42.2 46.7 65 65 A A E -F 123 0C 5 58,-2.2 58,-2.3 -2,-0.3 2,-0.4 -0.900 23.5-132.1-138.2 168.3 -3.4 41.9 42.9 66 66 A A E -FG 122 89C 0 23,-2.0 23,-2.7 -2,-0.3 2,-0.4 -0.950 14.2-156.0-122.4 148.2 -0.7 41.2 40.3 67 67 A M E -FG 121 88C 52 54,-2.6 54,-2.2 -2,-0.4 2,-0.5 -0.991 5.8-147.7-123.4 136.4 -0.0 43.1 37.1 68 68 A M E +FG 120 87C 4 19,-2.7 19,-1.9 -2,-0.4 52,-0.2 -0.850 24.6 174.5-102.4 129.0 1.7 41.8 34.0 69 69 A L E -F 119 0C 49 50,-2.8 50,-2.9 -2,-0.5 17,-0.1 -0.922 35.4 -89.9-129.5 161.8 3.8 44.3 32.0 70 70 A P E -F 118 0C 36 0, 0.0 2,-0.4 0, 0.0 48,-0.2 -0.228 45.0-106.6 -63.0 154.0 6.1 44.2 29.0 71 71 A R > - 0 0 56 46,-0.5 4,-2.8 9,-0.3 5,-0.3 -0.683 33.6-126.2 -79.4 138.2 9.8 43.6 29.6 72 72 A S H > S+ 0 0 95 -2,-0.4 4,-2.7 2,-0.2 5,-0.3 0.918 100.3 39.5 -58.2 -49.2 11.5 47.0 29.0 73 73 A G H >>S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 5,-0.8 0.918 116.5 49.2 -66.1 -46.8 14.2 46.1 26.4 74 74 A L H >5S+ 0 0 12 3,-0.2 6,-1.9 2,-0.2 4,-1.5 0.942 115.8 44.9 -59.5 -44.0 12.1 43.7 24.5 75 75 A G H X5S+ 0 0 7 -4,-2.8 4,-1.3 4,-0.2 -2,-0.2 0.965 122.0 35.7 -66.9 -50.6 9.2 46.3 24.3 76 76 A H H <5S+ 0 0 145 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.973 128.3 32.8 -67.4 -50.8 11.4 49.3 23.4 77 77 A K H <5S+ 0 0 148 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.836 133.7 22.1 -79.1 -31.7 13.9 47.6 21.2 78 78 A H H < -C 101 0A 2 3,-0.3 3,-1.1 19,-0.2 19,-0.3 -0.785 26.6-142.4-100.5 140.4 1.3 42.8 25.6 83 83 A G T 3 S+ 0 0 32 17,-1.4 -1,-0.1 -2,-0.4 18,-0.1 0.848 109.2 42.2 -70.5 -28.9 -1.8 42.7 23.4 84 84 A N T 3 S- 0 0 87 16,-0.3 2,-2.7 1,-0.1 -1,-0.3 0.256 107.3-135.5 -95.2 13.2 -4.0 43.7 26.4 85 85 A L S < S+ 0 0 110 -3,-1.1 2,-0.4 15,-0.2 -3,-0.3 -0.286 83.4 21.5 70.9 -60.8 -1.2 46.3 27.3 86 86 A V S S- 0 0 74 -2,-2.7 2,-0.5 -17,-0.1 -17,-0.2 -0.989 77.9-146.6-135.6 126.4 -1.3 45.5 31.0 87 87 A G E -G 68 0C 5 -19,-1.9 -19,-2.7 -2,-0.4 2,-0.5 -0.806 9.3-156.0 -98.4 134.8 -2.7 42.2 32.4 88 88 A L E -G 67 0C 104 -2,-0.5 2,-0.5 -21,-0.2 -21,-0.2 -0.902 2.2-160.7-110.0 129.8 -4.4 42.3 35.8 89 89 A I E -G 66 0C 20 -23,-2.7 -23,-2.0 -2,-0.5 2,-0.1 -0.954 15.1-142.4-112.4 115.8 -4.6 39.1 37.9 90 90 A D > - 0 0 86 -2,-0.5 3,-1.5 -25,-0.2 -31,-0.4 -0.341 23.7-111.2 -71.8 159.2 -7.3 39.1 40.6 91 91 A S T 3 S+ 0 0 23 1,-0.3 -31,-2.3 -27,-0.2 -1,-0.1 0.715 118.7 46.6 -65.8 -20.1 -6.9 37.5 44.1 92 92 A D T 3 S+ 0 0 116 -33,-0.1 2,-0.4 -34,-0.1 -1,-0.3 0.505 81.0 113.3-102.7 1.8 -9.4 34.8 43.1 93 93 A Y < + 0 0 90 -3,-1.5 -34,-0.4 1,-0.1 -36,-0.1 -0.583 31.4 166.1 -75.2 125.9 -8.0 33.9 39.6 94 94 A Q + 0 0 114 -2,-0.4 -1,-0.1 -36,-0.1 3,-0.1 0.265 36.7 103.7-126.2 10.5 -6.7 30.3 39.8 95 95 A G S S- 0 0 30 1,-0.2 -38,-0.6 -39,-0.1 2,-0.1 -0.234 85.1 -64.2 -84.9-179.6 -6.3 29.4 36.2 96 96 A Q E -B 56 0A 59 -40,-0.2 2,-0.5 1,-0.1 -40,-0.3 -0.389 52.6-113.6 -63.0 138.4 -3.1 29.2 34.2 97 97 A L E - 0 0 2 -42,-2.7 -44,-1.4 -3,-0.1 2,-0.4 -0.623 40.4-172.4 -75.1 121.1 -1.2 32.5 33.7 98 98 A M E -B 52 0A 68 -2,-0.5 2,-0.5 -46,-0.2 -48,-0.0 -0.963 13.1-142.7-120.6 135.0 -1.4 33.2 30.0 99 99 A I E -B 51 0A 0 -48,-3.2 -48,-3.0 -2,-0.4 2,-0.8 -0.910 3.9-145.4-108.1 123.9 0.4 36.0 28.3 100 100 A S E -B 50 0A 25 -2,-0.5 -17,-1.4 -50,-0.2 2,-0.5 -0.759 24.5-166.6 -80.9 111.3 -1.1 38.0 25.4 101 101 A V E -BC 49 82A 1 -52,-3.2 -52,-1.7 -2,-0.8 2,-0.4 -0.864 8.3-177.9-109.6 131.1 1.9 38.9 23.2 102 102 A W E -BC 48 81A 82 -21,-2.3 -21,-2.4 -2,-0.5 2,-1.0 -0.980 24.8-140.2-126.3 134.8 1.6 41.5 20.5 103 103 A N E + C 0 80A 0 -56,-2.4 -57,-2.8 -2,-0.4 -23,-0.2 -0.804 26.6 170.4 -94.3 100.0 4.3 42.5 17.9 104 104 A R + 0 0 118 -25,-2.8 -1,-0.2 -2,-1.0 -24,-0.1 0.365 51.9 88.6 -89.3 2.4 3.8 46.3 17.8 105 105 A G S S- 0 0 18 -26,-0.6 -59,-0.2 -27,-0.3 -26,-0.1 0.002 86.5-110.3 -89.9-170.1 7.0 46.7 15.8 106 106 A Q S S+ 0 0 177 -61,-0.1 2,-0.3 2,-0.1 -27,-0.1 0.598 91.5 66.6-102.6 -8.9 8.0 46.7 12.1 107 107 A D S S- 0 0 125 -29,-0.2 -2,-0.2 -63,-0.1 2,-0.1 -0.850 83.5-108.7-116.8 154.6 9.9 43.4 12.1 108 108 A S - 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