==== 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 17-APR-00 1EUW . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GONZALEZ,E.CEDERGREN,G.LARSSON,R.PERSSON . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 60.3 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 . 21 15.4 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 0 227 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.9 1.8 -9.7 22.7 2 2 A M - 0 0 166 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.772 360.0-178.5 -98.1 142.8 5.3 -11.2 23.1 3 3 A K - 0 0 94 -2,-0.4 2,-0.3 2,-0.0 0, 0.0 -0.994 27.9-123.8-136.8 133.1 8.5 -9.3 23.6 4 4 A K - 0 0 204 -2,-0.4 2,-0.4 55,-0.0 -2,-0.0 -0.595 32.1-175.7 -73.8 132.1 12.0 -10.8 23.9 5 5 A I - 0 0 44 -2,-0.3 2,-0.2 55,-0.1 54,-0.2 -0.995 24.2-123.6-131.2 124.4 13.6 -9.6 27.2 6 6 A D E -A 58 0A 115 52,-0.9 52,-2.3 -2,-0.4 2,-0.4 -0.449 29.4-171.3 -69.4 136.0 17.2 -10.5 28.1 7 7 A V E -A 57 0A 82 50,-0.2 2,-0.4 -2,-0.2 50,-0.2 -0.988 8.2-164.0-130.8 140.2 17.6 -12.2 31.5 8 8 A K E -A 56 0A 138 48,-2.8 48,-2.3 -2,-0.4 2,-0.5 -0.984 16.5-136.7-124.6 134.6 20.8 -13.0 33.4 9 9 A I E +A 55 0A 82 -2,-0.4 46,-0.3 46,-0.2 45,-0.1 -0.808 21.4 178.1 -96.0 124.1 21.0 -15.5 36.2 10 10 A L + 0 0 78 44,-2.9 45,-0.2 -2,-0.5 -1,-0.1 0.703 64.9 50.5-100.2 -22.7 23.0 -14.2 39.1 11 11 A D S > S- 0 0 37 43,-1.3 3,-1.9 42,-0.1 -1,-0.2 -0.971 74.0-136.7-123.8 131.0 22.7 -17.1 41.6 12 12 A P T 3 S+ 0 0 112 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.611 98.2 69.6 -65.5 -11.1 23.4 -20.7 40.7 13 13 A R T >>>S+ 0 0 39 3,-0.2 4,-2.4 2,-0.1 3,-1.7 0.720 72.1 104.0 -76.0 -19.3 20.3 -22.0 42.6 14 14 A V B <45S+d 18 0B 12 -3,-1.9 6,-0.1 1,-0.3 -5,-0.0 -0.484 98.7 8.9 -66.3 125.1 18.0 -20.4 40.0 15 15 A G T 345S+ 0 0 53 3,-2.7 -1,-0.3 -2,-0.3 -2,-0.1 0.200 129.7 66.4 84.1 -19.6 16.8 -23.3 37.9 16 16 A K T <45S+ 0 0 156 -3,-1.7 -2,-0.2 2,-0.3 -3,-0.2 0.879 115.7 14.5 -95.6 -64.7 18.5 -25.7 40.5 17 17 A E T <5S+ 0 0 115 -4,-2.4 -3,-0.2 1,-0.2 -4,-0.1 0.558 142.1 5.9 -94.1 -10.3 16.5 -25.3 43.7 18 18 A F B S- 0 0 85 -3,-0.0 3,-1.7 1,-0.0 -1,-0.1 -0.920 77.3 -99.4-141.1 165.8 -1.0 -19.7 30.9 26 26 A S T 3 S+ 0 0 140 -2,-0.3 -2,-0.0 1,-0.3 -3,-0.0 0.636 124.0 52.5 -65.0 -16.2 -0.9 -17.9 27.6 27 27 A G T 3 S+ 0 0 68 -4,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.306 81.3 116.5 -97.6 5.1 -3.5 -15.5 29.1 28 28 A S < - 0 0 41 -3,-1.7 -5,-0.1 1,-0.1 3,-0.0 -0.521 47.2-163.8 -75.0 140.2 -1.6 -14.7 32.3 29 29 A A + 0 0 82 -2,-0.2 93,-0.5 92,-0.1 2,-0.3 0.735 67.6 50.0 -89.3 -28.9 -0.6 -11.1 32.7 30 30 A G - 0 0 14 91,-0.1 -6,-0.4 89,-0.0 2,-0.4 -0.771 63.7-142.3-117.8 161.6 2.0 -11.6 35.4 31 31 A L E -E 120 0C 18 89,-2.1 89,-2.0 -2,-0.3 2,-0.2 -0.986 26.3-128.0-116.0 126.9 5.0 -13.6 36.2 32 32 A D E -E 119 0C 43 -10,-0.5 2,-0.4 -2,-0.4 87,-0.3 -0.551 19.8-149.0 -77.5 141.2 5.6 -14.8 39.8 33 33 A L E -E 118 0C 1 85,-2.7 84,-2.8 -2,-0.2 85,-1.2 -0.913 10.1-141.8-111.5 137.3 9.0 -14.0 41.3 34 34 A R E -E 116 0C 76 -2,-0.4 82,-0.2 82,-0.3 2,-0.2 -0.729 19.6-106.5-104.0 146.8 10.6 -16.3 43.9 35 35 A A - 0 0 0 80,-2.4 79,-2.3 -2,-0.3 2,-0.7 -0.485 23.2-156.4 -67.4 128.8 12.7 -15.5 47.0 36 36 A C + 0 0 4 16,-2.8 2,-0.4 -2,-0.2 18,-0.2 -0.890 37.7 150.2-107.5 96.2 16.4 -16.3 46.5 37 37 A L - 0 0 21 -2,-0.7 3,-0.1 1,-0.1 14,-0.0 -0.966 51.0-152.7-135.1 143.5 17.4 -16.8 50.1 38 38 A N S S+ 0 0 126 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.800 92.8 22.7 -81.2 -26.9 20.0 -18.8 52.0 39 39 A D S S- 0 0 124 73,-0.0 -1,-0.2 72,-0.0 72,-0.1 -0.980 91.7 -99.7-137.5 143.8 17.7 -18.8 55.1 40 40 A A - 0 0 47 -2,-0.3 2,-0.5 -3,-0.1 72,-0.2 -0.292 38.0-140.5 -58.4 148.2 14.0 -18.3 55.7 41 41 A V E -H 111 0D 38 70,-2.0 70,-3.0 2,-0.0 2,-0.7 -0.976 4.9-149.2-121.2 118.8 13.2 -14.8 56.8 42 42 A E E -H 110 0D 127 -2,-0.5 2,-0.7 68,-0.3 68,-0.3 -0.801 11.2-158.9 -90.8 115.5 10.6 -14.2 59.5 43 43 A L E -H 109 0D 3 66,-3.2 66,-2.0 -2,-0.7 3,-0.1 -0.831 4.7-153.6 -98.3 111.2 8.7 -10.9 59.0 44 44 A A > - 0 0 32 -2,-0.7 3,-2.4 64,-0.2 59,-0.3 -0.371 45.0 -69.9 -71.7 161.2 7.0 -9.5 62.1 45 45 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 59,-0.2 -0.271 125.7 14.9 -52.2 131.7 4.1 -7.2 61.7 46 46 A G T 3 S+ 0 0 52 57,-2.7 2,-0.1 1,-0.3 58,-0.1 0.224 97.8 132.0 87.6 -11.5 5.2 -3.9 60.3 47 47 A D < - 0 0 72 -3,-2.4 56,-2.6 55,-0.1 2,-0.4 -0.427 39.4-160.6 -72.8 145.2 8.6 -5.3 59.2 48 48 A T E - B 0 102A 85 54,-0.2 2,-0.3 -2,-0.1 54,-0.2 -0.975 10.3-179.8-122.4 142.8 10.2 -4.8 55.7 49 49 A T E - B 0 101A 37 52,-2.4 52,-2.9 -2,-0.4 2,-0.7 -0.981 28.0-125.6-138.6 149.2 13.0 -6.9 54.2 50 50 A L E - B 0 100A 107 -2,-0.3 50,-0.2 50,-0.2 -2,-0.0 -0.873 28.4-162.1 -99.1 113.6 14.8 -6.8 50.9 51 51 A V E - B 0 99A 0 48,-3.1 48,-2.9 -2,-0.7 -14,-0.1 -0.865 8.2-140.9-102.7 122.7 14.5 -10.2 49.1 52 52 A P E - B 0 98A 36 0, 0.0 -16,-2.8 0, 0.0 46,-0.2 -0.429 7.7-162.3 -71.1 158.1 16.9 -11.0 46.3 53 53 A T E - 0 0 2 44,-1.1 -19,-0.2 2,-0.3 -42,-0.1 0.496 31.4-127.8-108.5 -16.8 15.6 -12.9 43.2 54 54 A G E S+ 0 0 0 43,-0.3 -44,-2.9 1,-0.2 -43,-1.3 0.643 77.8 96.6 75.0 13.0 18.9 -14.1 41.8 55 55 A L E -A 9 0A 11 42,-0.4 42,-3.0 -46,-0.3 2,-0.3 -0.943 50.8-167.8-135.9 150.4 17.9 -12.6 38.5 56 56 A A E -AB 8 96A 6 -48,-2.3 -48,-2.8 -2,-0.3 2,-0.3 -0.990 8.2-163.5-133.0 147.0 18.4 -9.5 36.4 57 57 A I E -A 7 0A 13 38,-0.5 2,-0.4 -2,-0.3 -50,-0.2 -0.879 11.3-156.8-120.1 160.9 16.6 -8.4 33.3 58 58 A H E -A 6 0A 57 -52,-2.3 -52,-0.9 -2,-0.3 36,-0.1 -0.842 9.3-178.9-136.0 97.7 17.5 -5.8 30.7 59 59 A I + 0 0 7 34,-0.4 2,-1.9 31,-0.4 32,-0.1 0.915 11.0 178.7 -63.0 -45.4 14.3 -4.6 29.0 60 60 A A + 0 0 53 31,-2.5 -1,-0.2 30,-0.2 31,-0.1 -0.170 44.9 103.8 78.4 -40.3 16.2 -2.3 26.8 61 61 A D > - 0 0 47 -2,-1.9 3,-1.9 1,-0.2 -1,-0.1 -0.607 63.0-151.9 -76.1 111.8 13.2 -1.0 24.8 62 62 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 29,-0.1 0.523 92.4 65.0 -70.1 -4.0 12.3 2.5 26.1 63 63 A S T 3 S+ 0 0 69 61,-0.1 62,-1.7 63,-0.1 2,-0.3 0.286 98.8 64.4 -93.7 9.7 8.7 1.9 25.3 64 64 A L E < +F 124 0C 16 -3,-1.9 2,-0.3 60,-0.3 27,-0.2 -0.972 54.9 171.3-131.6 147.2 8.4 -0.9 27.9 65 65 A A E -F 123 0C 5 58,-2.3 58,-2.5 -2,-0.3 2,-0.4 -0.932 24.1-128.8-139.7 167.3 8.6 -1.1 31.6 66 66 A A E -FG 122 89C 0 23,-2.2 23,-2.9 -2,-0.3 2,-0.4 -0.915 13.3-157.1-114.8 148.8 7.9 -3.7 34.3 67 67 A M E -FG 121 88C 62 54,-2.6 54,-2.4 -2,-0.4 2,-0.5 -0.995 7.7-148.3-124.0 128.5 5.8 -3.3 37.4 68 68 A M E +FG 120 87C 9 19,-2.5 19,-1.9 -2,-0.4 52,-0.2 -0.822 24.8 176.8 -93.6 131.3 6.3 -5.5 40.5 69 69 A L E -F 119 0C 48 50,-2.7 50,-2.6 -2,-0.5 17,-0.1 -0.905 33.3 -94.5-128.8 157.6 3.1 -6.1 42.4 70 70 A P E -F 118 0C 36 0, 0.0 2,-0.3 0, 0.0 48,-0.2 -0.332 44.6-104.7 -60.5 155.3 2.1 -8.1 45.4 71 71 A R > - 0 0 57 46,-0.5 4,-2.4 9,-0.3 5,-0.2 -0.594 32.2-126.5 -73.6 146.3 0.6 -11.5 44.9 72 72 A S H > S+ 0 0 101 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.926 103.9 42.3 -71.0 -43.6 -3.1 -11.3 45.5 73 73 A G H >>S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 5,-1.0 0.933 113.9 51.5 -66.4 -46.3 -3.5 -14.0 48.1 74 74 A L H >5S+ 0 0 12 3,-0.2 6,-2.3 1,-0.2 4,-1.0 0.927 116.2 43.2 -52.6 -45.4 -0.4 -13.1 50.0 75 75 A G H X5S+ 0 0 8 -4,-2.4 4,-1.2 4,-0.3 -2,-0.2 0.963 122.5 33.7 -67.1 -54.4 -1.6 -9.6 50.1 76 76 A H H <5S+ 0 0 148 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.925 129.9 30.8 -67.4 -49.8 -5.3 -10.1 51.0 77 77 A K H <5S+ 0 0 162 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.782 135.4 22.2 -84.2 -31.4 -5.0 -13.3 53.2 78 78 A H H < -C 101 0A 1 3,-0.3 3,-1.4 19,-0.3 19,-0.3 -0.851 26.9-141.3-103.6 138.6 5.6 -4.6 48.8 83 83 A G T 3 S+ 0 0 34 17,-1.8 18,-0.1 -2,-0.4 -1,-0.1 0.788 110.6 41.7 -69.0 -25.8 7.3 -1.9 50.9 84 84 A N T 3 S- 0 0 86 16,-0.4 2,-2.3 1,-0.1 -1,-0.3 0.327 105.7-136.8 -99.3 9.7 7.3 0.4 47.9 85 85 A L S < S+ 0 0 110 -3,-1.4 2,-0.3 15,-0.2 -3,-0.3 -0.395 84.7 22.4 72.7 -61.5 3.8 -0.7 47.0 86 86 A V S S- 0 0 67 -2,-2.3 2,-0.6 -17,-0.1 -17,-0.2 -0.986 78.0-147.6-134.3 128.5 4.5 -1.0 43.3 87 87 A G E -G 68 0C 5 -19,-1.9 -19,-2.5 -2,-0.3 2,-0.4 -0.881 10.5-153.0-109.6 109.9 8.1 -1.4 42.0 88 88 A L E -G 67 0C 108 -2,-0.6 2,-0.6 -21,-0.2 -21,-0.2 -0.653 3.9-160.9 -85.3 127.6 8.8 0.2 38.6 89 89 A I E -G 66 0C 10 -23,-2.9 -23,-2.2 -2,-0.4 2,-0.1 -0.958 14.5-145.4-112.6 113.4 11.6 -1.4 36.5 90 90 A D > - 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