==== 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 30-APR-96 1DUD . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.LARSSON,L.A.SVENSSON,P.O.NYMAN . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8961.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 61.8 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 . 36 26.5 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 . 23 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.1 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 . 3 2.2 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 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 1 A M 0 0 216 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.8 7.6 43.4 52.0 2 2 A M + 0 0 174 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.919 360.0 175.7-117.0 138.4 7.1 39.6 51.6 3 3 A K - 0 0 101 -2,-0.4 2,-0.4 2,-0.0 0, 0.0 -0.975 33.7-116.0-138.5 144.8 3.8 37.9 51.3 4 4 A K - 0 0 183 -2,-0.4 2,-0.4 55,-0.0 -2,-0.0 -0.756 30.5-170.5 -88.8 131.1 3.4 34.2 50.7 5 5 A I - 0 0 43 -2,-0.4 2,-0.2 55,-0.1 54,-0.2 -0.986 19.5-129.5-123.0 130.0 1.7 33.3 47.3 6 6 A D E -A 58 0A 112 52,-0.9 52,-1.8 -2,-0.4 2,-0.4 -0.569 27.2-172.6 -76.4 139.2 0.6 29.7 46.5 7 7 A V E -A 57 0A 84 50,-0.2 2,-0.4 -2,-0.2 50,-0.2 -0.996 11.6-165.2-137.4 140.9 1.7 28.4 43.1 8 8 A K E -A 56 0A 129 48,-2.6 48,-1.6 -2,-0.4 2,-0.4 -0.978 21.0-131.5-123.4 135.0 0.8 25.2 41.3 9 9 A I E -A 55 0A 77 -2,-0.4 46,-0.2 46,-0.2 45,-0.1 -0.751 20.5-177.2 -95.6 133.6 2.9 24.0 38.3 10 10 A L + 0 0 79 44,-3.3 45,-0.2 -2,-0.4 -1,-0.1 0.590 65.9 50.1-105.5 -16.6 0.9 23.0 35.3 11 11 A D S > S- 0 0 37 43,-1.1 3,-1.3 42,-0.1 -1,-0.2 -0.979 71.1-137.5-128.4 140.9 3.6 21.8 32.9 12 12 A P T 3 S+ 0 0 117 0, 0.0 4,-0.2 0, 0.0 5,-0.1 0.676 102.0 66.2 -63.1 -26.4 6.4 19.3 33.7 13 13 A R T >>>S+ 0 0 52 3,-0.2 4,-2.5 2,-0.1 5,-1.2 0.777 78.7 95.7 -69.0 -24.5 8.9 21.4 31.8 14 14 A V B <45S+b 18 0B 11 -3,-1.3 6,-0.1 1,-0.3 -5,-0.0 -0.478 98.6 10.8 -74.3 133.4 8.6 24.2 34.5 15 15 A G T 345S+ 0 0 50 3,-3.0 -1,-0.3 -2,-0.2 5,-0.2 0.066 134.5 54.7 88.0 -24.4 11.4 24.0 37.1 16 16 A K T <45S+ 0 0 164 -3,-1.1 -2,-0.2 2,-0.2 -3,-0.2 0.806 116.3 24.0-102.1 -64.9 13.1 21.4 34.8 17 17 A E T <5S+ 0 0 123 -4,-2.5 -3,-0.2 1,-0.3 -4,-0.1 0.737 142.8 2.2 -78.8 -28.4 13.6 22.7 31.3 18 18 A F B S- 0 0 84 -3,-0.1 3,-1.9 1,-0.0 -1,-0.1 -0.856 81.3-110.2-127.5 161.0 17.9 41.3 43.0 26 26 A S T 3 S+ 0 0 139 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.574 120.4 51.2 -59.6 -20.4 16.7 41.9 46.5 27 27 A G T 3 S+ 0 0 69 -4,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.062 82.9 124.3-106.9 23.5 15.4 45.3 45.3 28 28 A S < - 0 0 37 -3,-1.9 -5,-0.1 1,-0.1 3,-0.1 -0.716 40.3-170.5 -87.9 139.3 13.6 43.9 42.3 29 29 A A + 0 0 77 -2,-0.3 93,-0.4 1,-0.0 2,-0.3 0.664 66.9 50.9 -98.9 -26.4 9.9 44.8 42.0 30 30 A G - 0 0 14 91,-0.1 -6,-0.4 -8,-0.0 2,-0.4 -0.818 66.3-141.7-121.2 153.5 8.9 42.4 39.1 31 31 A L E -C 120 0C 18 89,-2.1 89,-2.3 -2,-0.3 2,-0.2 -0.888 26.9-124.0-101.0 137.7 9.4 38.7 38.4 32 32 A D E -C 119 0C 41 -10,-0.6 2,-0.3 -2,-0.4 87,-0.2 -0.626 22.4-150.6 -85.0 145.1 10.2 37.7 34.7 33 33 A L E -C 118 0C 4 85,-2.7 84,-1.9 -2,-0.2 85,-1.0 -0.891 9.3-143.7-110.4 151.8 7.8 35.2 33.2 34 34 A R E -C 116 0C 78 -2,-0.3 2,-0.6 82,-0.3 82,-0.2 -0.877 21.9-105.7-120.7 149.3 8.9 32.7 30.4 35 35 A A - 0 0 0 80,-2.4 79,-3.0 -2,-0.3 2,-1.4 -0.555 25.5-155.2 -71.6 114.4 7.2 31.4 27.4 36 36 A C + 0 0 7 16,-3.0 2,-0.2 -2,-0.6 18,-0.1 -0.621 41.7 146.8 -93.7 80.4 6.2 27.8 28.1 37 37 A L - 0 0 21 -2,-1.4 3,-0.1 1,-0.1 14,-0.0 -0.637 52.5-145.7-109.6 164.6 6.0 26.8 24.5 38 38 A N S S+ 0 0 112 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.787 88.6 14.7 -97.4 -42.0 6.8 23.6 22.6 39 39 A D S S- 0 0 123 73,-0.1 -1,-0.3 72,-0.0 2,-0.1 -0.889 93.9 -87.7-133.0 161.5 8.0 25.3 19.5 40 40 A A - 0 0 45 -2,-0.3 2,-0.5 -3,-0.1 72,-0.2 -0.440 37.1-140.8 -68.9 145.2 9.1 28.7 18.7 41 41 A V E -F 111 0D 35 70,-1.6 70,-3.1 -2,-0.1 2,-0.5 -0.961 7.2-149.3-112.6 114.0 6.4 31.1 17.6 42 42 A E E -F 110 0D 130 -2,-0.5 2,-0.6 68,-0.3 68,-0.3 -0.752 11.2-160.0 -83.9 125.4 7.2 33.6 14.8 43 43 A L E -F 109 0D 4 66,-3.5 66,-2.3 -2,-0.5 3,-0.1 -0.913 1.7-156.3-106.4 112.8 5.3 36.9 15.1 44 44 A A > - 0 0 35 -2,-0.6 3,-2.4 64,-0.3 59,-0.3 -0.492 48.7 -73.7 -78.6 157.6 5.0 39.1 11.9 45 45 A P T 3 S+ 0 0 59 0, 0.0 59,-0.2 0, 0.0 -1,-0.2 -0.279 125.0 24.1 -58.4 126.1 4.4 42.8 12.6 46 46 A G T 3 S+ 0 0 49 57,-2.5 58,-0.1 1,-0.3 2,-0.1 0.110 94.8 122.8 108.8 -21.8 0.8 43.2 13.8 47 47 A D < - 0 0 74 -3,-2.4 56,-2.6 55,-0.1 -1,-0.3 -0.357 39.9-166.5 -75.9 150.3 0.3 39.6 15.1 48 48 A T E +G 102 0E 86 54,-0.2 2,-0.3 -3,-0.1 54,-0.2 -0.930 7.8 179.8-129.6 157.5 -0.6 38.7 18.5 49 49 A T E -G 101 0E 40 52,-2.1 52,-2.8 -2,-0.3 2,-0.6 -0.975 27.2-119.9-150.2 158.2 -0.4 35.3 20.2 50 50 A L E -G 100 0E 103 -2,-0.3 50,-0.2 50,-0.2 -2,-0.0 -0.918 26.8-165.2-110.7 125.4 -1.2 33.7 23.5 51 51 A V E -G 99 0E 0 48,-2.4 48,-2.8 -2,-0.6 2,-0.1 -0.926 11.5-138.7-114.2 127.7 1.6 32.2 25.4 52 52 A P E -G 98 0E 35 0, 0.0 -16,-3.0 0, 0.0 46,-0.2 -0.469 5.4-160.1 -75.1 154.7 1.2 29.9 28.3 53 53 A T - 0 0 6 44,-1.3 -19,-0.2 2,-0.3 45,-0.1 0.546 33.0-127.5-107.2 -13.1 3.5 30.2 31.3 54 54 A G S S+ 0 0 0 43,-0.3 -44,-3.3 1,-0.3 -43,-1.1 0.553 77.1 102.7 75.1 12.7 2.8 26.7 32.6 55 55 A L E -A 9 0A 9 42,-0.4 42,-2.5 -46,-0.2 2,-0.3 -0.850 48.5-171.4-126.0 156.3 2.0 28.3 36.0 56 56 A A E -A 8 0A 3 -48,-1.6 -48,-2.6 -2,-0.3 2,-0.3 -0.975 12.0-170.2-144.0 135.8 -1.1 29.1 38.0 57 57 A I E -A 7 0A 13 38,-0.5 2,-0.3 -2,-0.3 -50,-0.2 -0.745 15.4-152.2-120.4 168.1 -1.0 31.2 41.2 58 58 A H E -A 6 0A 54 -52,-1.8 -52,-0.9 -2,-0.3 36,-0.1 -0.708 9.6-177.6-141.6 94.0 -3.7 32.0 43.8 59 59 A I + 0 0 3 34,-0.4 2,-1.4 31,-0.4 32,-0.1 0.841 14.5 178.1 -58.8 -38.6 -3.1 35.4 45.5 60 60 A A + 0 0 58 31,-1.9 -1,-0.2 33,-0.2 31,-0.1 0.167 43.7 102.1 54.2 -14.7 -6.0 34.7 47.7 61 61 A D > - 0 0 49 -2,-1.4 3,-1.2 1,-0.1 30,-0.1 -0.864 64.6-149.2 -97.5 127.6 -5.7 37.9 49.7 62 62 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.603 92.4 65.7 -74.4 -13.4 -8.3 40.5 48.4 63 63 A S T 3 S+ 0 0 69 61,-0.1 62,-1.0 28,-0.1 2,-0.3 0.170 99.6 65.7 -84.8 20.1 -6.0 43.5 49.2 64 64 A L E < +D 124 0C 24 -3,-1.2 27,-0.3 60,-0.3 2,-0.3 -0.998 52.8 169.9-149.9 141.3 -3.5 42.3 46.6 65 65 A A E -D 123 0C 5 58,-2.4 58,-2.5 -2,-0.3 2,-0.3 -0.909 25.1-131.0-139.8 165.1 -3.4 42.0 42.8 66 66 A A E -DE 122 89C 0 23,-2.0 23,-2.3 -2,-0.3 2,-0.4 -0.890 14.9-154.8-118.7 148.7 -0.7 41.2 40.3 67 67 A M E -DE 121 88C 55 54,-1.9 54,-1.8 -2,-0.3 2,-0.5 -0.981 7.2-145.4-122.2 144.0 -0.0 43.2 37.0 68 68 A M E +DE 120 87C 3 19,-2.4 19,-2.0 -2,-0.4 52,-0.2 -0.952 25.5 179.0-107.0 128.1 1.7 41.9 33.9 69 69 A L E -D 119 0C 47 50,-2.6 50,-2.2 -2,-0.5 17,-0.1 -0.808 31.9 -98.3-120.5 157.3 3.8 44.5 32.1 70 70 A P - 0 0 39 0, 0.0 2,-0.5 0, 0.0 48,-0.2 -0.286 40.3-109.3 -62.4 160.4 6.1 44.4 29.0 71 71 A R > - 0 0 61 46,-0.5 4,-3.2 9,-0.4 5,-0.3 -0.848 27.8-130.3 -88.0 135.7 9.9 44.0 29.4 72 72 A S H >>S+ 0 0 99 -2,-0.5 4,-2.8 2,-0.2 5,-0.5 0.872 99.7 45.9 -55.9 -47.0 11.6 47.3 28.5 73 73 A G H >>S+ 0 0 41 1,-0.2 4,-1.8 3,-0.2 5,-0.8 0.919 118.0 42.5 -69.9 -35.6 14.2 46.1 26.2 74 74 A L H >>S+ 0 0 13 3,-0.2 6,-1.9 2,-0.2 4,-1.3 0.927 119.7 44.6 -76.9 -38.4 12.0 43.9 24.3 75 75 A G H X5S+ 0 0 7 -4,-3.2 4,-1.7 4,-0.3 -2,-0.2 0.994 125.2 30.5 -67.0 -61.1 9.2 46.5 24.2 76 76 A H H <5S+ 0 0 150 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.964 130.6 35.0 -64.0 -54.8 11.3 49.5 23.3 77 77 A K H < -H 101 0E 1 3,-0.3 3,-1.6 19,-0.3 19,-0.3 -0.818 29.4-138.3-100.6 136.5 1.3 42.7 25.6 83 83 A G T 3 S+ 0 0 33 17,-0.8 -1,-0.1 -2,-0.4 18,-0.1 0.823 110.8 41.3 -63.5 -30.8 -1.8 42.6 23.4 84 84 A N T 3 S- 0 0 85 16,-0.3 2,-2.8 1,-0.1 -1,-0.3 0.260 105.8-135.4 -97.8 18.0 -3.9 43.9 26.3 85 85 A L S < S+ 0 0 107 -3,-1.6 2,-0.4 15,-0.1 -3,-0.3 -0.306 83.9 20.6 60.7 -55.1 -1.1 46.4 27.3 86 86 A V S S- 0 0 72 -2,-2.8 2,-0.3 -17,-0.1 -17,-0.2 -0.988 76.6-149.1-141.9 126.9 -1.3 45.6 31.0 87 87 A G E -E 68 0C 5 -19,-2.0 -19,-2.4 -2,-0.4 2,-0.5 -0.793 8.2-154.3 -98.4 140.6 -2.8 42.3 32.4 88 88 A L E -E 67 0C 106 -2,-0.3 2,-0.5 -21,-0.2 -21,-0.2 -0.964 2.9-160.4-121.1 132.4 -4.4 42.4 35.8 89 89 A I E -E 66 0C 17 -23,-2.3 -23,-2.0 -2,-0.5 2,-0.1 -0.963 15.0-141.5-117.4 116.9 -4.6 39.2 37.8 90 90 A D > - 0 0 83 -2,-0.5 3,-1.8 -25,-0.2 -31,-0.4 -0.448 22.1-112.1 -76.5 159.6 -7.3 39.1 40.6 91 91 A S T 3 S+ 0 0 22 -27,-0.3 -31,-1.9 1,-0.3 -1,-0.1 0.707 116.6 45.5 -66.2 -22.8 -6.9 37.6 44.0 92 92 A D T 3 S+ 0 0 124 -33,-0.1 2,-0.4 -34,-0.1 -1,-0.3 0.416 82.5 112.3-105.3 9.1 -9.4 34.9 43.3 93 93 A Y < + 0 0 88 -3,-1.8 -34,-0.4 1,-0.1 -33,-0.2 -0.659 31.5 165.2 -77.1 132.7 -8.1 33.9 39.8 94 94 A Q + 0 0 115 -2,-0.4 -1,-0.1 -36,-0.1 2,-0.1 0.102 37.9 102.4-134.8 16.7 -6.7 30.4 39.8 95 95 A G S S- 0 0 31 1,-0.2 -38,-0.5 -39,-0.0 3,-0.0 -0.354 85.9 -59.3 -90.3-173.4 -6.4 29.4 36.1 96 96 A Q - 0 0 59 -40,-0.2 2,-0.5 -2,-0.1 -40,-0.3 -0.311 50.5-116.6 -64.7 142.2 -3.2 29.4 34.0 97 97 A L - 0 0 2 -42,-2.5 -44,-1.3 -3,-0.1 -42,-0.4 -0.748 39.7-173.9 -77.2 123.6 -1.3 32.7 33.6 98 98 A M E -G 52 0E 70 -2,-0.5 2,-0.5 -46,-0.2 -48,-0.0 -0.949 13.3-146.2-120.6 143.1 -1.4 33.4 29.9 99 99 A I E -G 51 0E 0 -48,-2.8 -48,-2.4 -2,-0.4 2,-0.7 -0.954 5.1-145.6-117.4 118.9 0.4 36.3 28.3 100 100 A S E -G 50 0E 25 -2,-0.5 -17,-0.8 -50,-0.2 2,-0.5 -0.798 22.0-166.8 -77.6 120.3 -1.0 38.1 25.3 101 101 A V E -GH 49 82E 2 -52,-2.8 -52,-2.1 -2,-0.7 2,-0.4 -0.909 4.8-172.7-110.4 129.8 2.1 39.0 23.3 102 102 A W E -GH 48 81E 82 -21,-2.6 -21,-2.1 -2,-0.5 2,-0.9 -0.973 22.4-138.6-120.5 139.5 1.5 41.6 20.4 103 103 A N E + H 0 80E 0 -56,-2.6 -57,-2.5 -2,-0.4 -23,-0.2 -0.865 29.9 168.5 -99.6 99.0 4.2 42.6 17.8 104 104 A R + 0 0 118 -25,-2.4 -24,-0.1 -2,-0.9 -1,-0.1 0.293 51.8 79.5 -89.3 2.5 3.7 46.4 17.6 105 105 A G S S- 0 0 12 -26,-0.6 -59,-0.1 -27,-0.2 -26,-0.1 -0.234 88.6-104.5-102.4-164.6 6.9 46.9 15.6 106 106 A Q S S+ 0 0 181 -61,-0.1 2,-0.3 -2,-0.1 -27,-0.1 0.406 88.6 68.7-108.5 9.6 8.0 46.6 12.1 107 107 A D S S- 0 0 129 -29,-0.3 -2,-0.2 -63,-0.1 -64,-0.0 -0.964 82.5-109.0-128.8 147.5 10.1 43.3 12.0 108 108 A S - 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