==== 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 16-JAN-07 2OKD . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR N.SCHORMANN,D.CHATTOPADHYAY . 372 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 32.8 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 . 63 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 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 RESIDUES PER ALPHA HELIX . 0 0 3 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 . 3 6 6 6 1 5 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 . 3 6 0 0 3 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 9 A P 0 0 90 0, 0.0 2,-0.6 0, 0.0 241,-0.2 0.000 360.0 360.0 360.0 113.4 27.8 -37.6 17.2 2 10 A V E -a 242 0A 5 239,-2.5 241,-2.2 46,-0.0 2,-0.3 -0.638 360.0-150.1 -77.4 113.7 26.1 -35.3 14.7 3 11 A R E -a 243 0A 108 -2,-0.6 46,-2.5 46,-0.4 2,-0.3 -0.637 17.1-175.6 -82.4 141.4 27.2 -31.7 15.3 4 12 A F E -aB 244 48A 7 239,-1.7 241,-2.6 -2,-0.3 2,-0.4 -0.965 11.3-150.8-137.3 156.5 24.7 -28.9 14.5 5 13 A V E - B 0 47A 18 42,-3.0 42,-2.1 -2,-0.3 2,-0.6 -0.962 12.6-134.2-129.7 142.4 24.8 -25.1 14.5 6 14 A K E - B 0 46A 66 239,-0.5 40,-0.2 -2,-0.4 39,-0.1 -0.869 5.5-162.9 -95.5 122.7 22.2 -22.4 15.0 7 15 A E S S+ 0 0 94 38,-2.4 2,-0.3 -2,-0.6 -1,-0.1 0.813 81.2 3.4 -69.5 -33.3 22.3 -19.5 12.4 8 16 A T S > S- 0 0 49 37,-0.6 3,-1.2 -3,-0.1 -1,-0.1 -0.919 78.3-104.8-142.1 168.3 20.2 -17.5 14.8 9 17 A N T 3 S+ 0 0 153 -2,-0.3 -2,-0.0 1,-0.2 36,-0.0 0.607 112.1 77.5 -65.5 -13.6 18.7 -17.8 18.3 10 18 A R T 3 S+ 0 0 103 2,-0.1 -1,-0.2 35,-0.0 2,-0.2 0.672 73.5 98.8 -72.6 -19.8 15.4 -18.3 16.4 11 19 A A < - 0 0 5 -3,-1.2 2,-0.4 34,-0.2 34,-0.1 -0.502 66.0-146.5 -68.7 132.7 16.4 -21.9 15.7 12 20 A K - 0 0 101 32,-0.4 15,-0.3 15,-0.3 3,-0.1 -0.878 26.6-111.2 -94.3 135.2 15.0 -24.6 17.9 13 21 A S - 0 0 38 -2,-0.4 12,-0.1 1,-0.1 33,-0.0 -0.489 43.0-101.1 -64.1 127.6 17.3 -27.6 18.6 14 22 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.261 44.7-143.4 -52.8 135.0 15.8 -30.6 16.8 15 23 A T B -C 25 0B 35 10,-0.8 10,-2.7 -3,-0.1 2,-0.4 -0.722 17.5-160.2-106.0 152.6 14.0 -32.9 19.3 16 24 A R - 0 0 67 -2,-0.3 8,-0.1 8,-0.2 0, 0.0 -0.985 9.6-177.7-128.2 121.1 13.6 -36.6 19.7 17 25 A Q + 0 0 151 -2,-0.4 -1,-0.1 1,-0.2 7,-0.1 0.631 61.2 15.5-102.6 -15.7 10.6 -37.6 21.9 18 26 A S S > S- 0 0 41 1,-0.0 3,-1.8 0, 0.0 -1,-0.2 -0.988 70.2-113.8-153.6 155.8 10.8 -41.4 22.1 19 27 A P T 3 S+ 0 0 113 0, 0.0 184,-0.0 0, 0.0 -1,-0.0 0.632 116.6 51.2 -60.5 -16.1 13.2 -44.3 21.5 20 28 A G T 3 S+ 0 0 4 184,-0.1 184,-1.6 183,-0.1 183,-1.4 0.175 79.9 119.8-110.6 14.5 10.9 -45.5 18.7 21 29 A A < - 0 0 11 -3,-1.8 -5,-0.0 181,-0.2 0, 0.0 -0.557 68.8-127.7 -76.0 144.9 10.6 -42.3 16.8 22 30 A A S S- 0 0 0 -2,-0.2 87,-0.3 178,-0.1 216,-0.2 0.730 72.4 -55.2 -66.7 -23.1 11.9 -42.4 13.2 23 31 A G S S- 0 0 4 85,-0.2 2,-0.4 214,-0.1 85,-0.2 -0.608 81.0 -29.2-173.8-124.1 14.2 -39.3 13.7 24 32 A Y E - D 0 107B 18 83,-2.1 83,-3.6 -2,-0.2 -8,-0.2 -0.983 47.8-117.4-134.9 136.1 14.1 -35.7 14.9 25 33 A D E -CD 15 106B 5 -10,-2.7 -10,-0.8 -2,-0.4 2,-0.4 -0.495 25.1-150.9 -72.7 138.1 11.5 -33.0 14.8 26 34 A L E - D 0 105B 3 79,-3.3 78,-2.9 -2,-0.2 79,-1.1 -0.905 10.4-157.2-109.8 142.6 12.3 -29.9 12.7 27 35 A Y E - D 0 103B 22 -2,-0.4 -15,-0.3 -15,-0.3 76,-0.2 -0.950 20.0-112.6-125.1 137.1 10.8 -26.5 13.7 28 36 A S - 0 0 1 74,-2.5 73,-2.6 -2,-0.4 16,-0.2 -0.372 16.8-163.5 -58.2 140.1 10.2 -23.3 11.7 29 37 A A S S+ 0 0 0 14,-2.3 2,-0.3 71,-0.2 71,-0.2 0.465 72.4 41.2-100.7 -9.3 12.4 -20.4 12.7 30 38 A Y S S- 0 0 64 13,-0.5 2,-0.3 69,-0.2 71,-0.1 -0.868 86.6 -99.3-134.7 164.7 10.2 -17.8 11.0 31 39 A D + 0 0 108 -2,-0.3 2,-0.3 68,-0.1 68,-0.2 -0.695 44.8 177.8 -81.8 139.4 6.5 -16.9 10.3 32 40 A Y E -H 98 0C 36 66,-3.4 66,-2.2 -2,-0.3 2,-0.4 -0.967 24.7-156.8-142.4 157.2 5.1 -18.0 7.0 33 41 A T E -H 97 0C 84 -2,-0.3 64,-0.2 64,-0.2 62,-0.0 -0.931 12.1-172.1-137.8 109.7 1.8 -17.9 5.0 34 42 A I E -H 96 0C 1 62,-3.1 62,-3.2 -2,-0.4 3,-0.1 -0.911 13.4-147.7-108.9 111.9 1.4 -20.5 2.2 35 43 A P > - 0 0 58 0, 0.0 3,-1.3 0, 0.0 55,-0.3 -0.261 40.6 -73.4 -69.0 160.8 -1.7 -20.0 0.0 36 44 A P T 3 S+ 0 0 55 0, 0.0 55,-0.2 0, 0.0 57,-0.1 -0.287 120.0 16.2 -57.0 136.8 -3.6 -23.1 -1.5 37 45 A G T 3 S+ 0 0 37 53,-2.4 2,-0.3 55,-0.3 54,-0.2 0.681 106.9 109.2 72.4 20.9 -1.7 -24.7 -4.4 38 46 A E E < -I 90 0D 88 -3,-1.3 52,-2.5 52,-0.6 2,-0.3 -0.936 56.2-142.7-129.5 150.1 1.6 -23.0 -3.4 39 47 A R E -I 89 0D 43 -2,-0.3 2,-0.4 50,-0.2 50,-0.2 -0.888 12.2-166.1-115.5 146.6 4.9 -24.1 -1.9 40 48 A Q E -I 88 0D 74 48,-2.3 48,-2.7 -2,-0.3 2,-0.8 -0.991 21.8-130.6-133.3 134.0 7.1 -22.3 0.6 41 49 A L E -I 87 0D 70 -2,-0.4 2,-0.6 46,-0.2 46,-0.2 -0.767 27.4-156.3 -80.6 111.8 10.7 -22.9 1.7 42 50 A I E -I 86 0D 0 44,-3.1 44,-2.7 -2,-0.8 2,-0.4 -0.825 7.0-141.9 -93.1 120.0 10.6 -22.9 5.5 43 51 A K E -I 85 0D 92 -2,-0.6 -14,-2.3 42,-0.2 -13,-0.5 -0.667 18.1-175.8 -82.4 131.4 14.0 -22.0 7.1 44 52 A T - 0 0 0 40,-1.9 -32,-0.4 -2,-0.4 -1,-0.1 0.609 33.7-134.7 -94.7 -17.4 14.9 -23.9 10.3 45 53 A D + 0 0 4 39,-0.3 -38,-2.4 1,-0.3 -37,-0.6 0.741 66.3 122.4 60.9 27.6 18.1 -21.9 10.8 46 54 A I E -B 6 0A 2 38,-0.4 38,-3.3 -40,-0.2 2,-0.3 -0.966 37.7-179.5-116.8 133.1 19.8 -25.2 11.6 47 55 A S E -B 5 0A 6 -42,-2.1 -42,-3.0 -2,-0.4 2,-0.3 -0.956 11.5-175.8-121.2 149.6 22.9 -26.5 9.7 48 56 A M E -B 4 0A 2 34,-0.4 2,-0.8 32,-0.4 -44,-0.2 -0.978 33.7-119.1-144.0 158.1 24.6 -29.8 10.6 49 57 A S - 0 0 24 -46,-2.5 -46,-0.4 -2,-0.3 30,-0.1 -0.870 44.1-140.7 -95.0 104.8 27.5 -32.1 9.7 50 58 A M - 0 0 12 -2,-0.8 4,-0.1 28,-0.6 -46,-0.0 -0.333 14.6-106.5 -75.1 144.7 25.8 -35.3 8.5 51 59 A P > - 0 0 21 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.189 44.2 -85.9 -68.7 160.1 27.0 -38.8 9.3 52 60 A K T 3 S+ 0 0 149 1,-0.2 3,-0.1 59,-0.0 60,-0.1 -0.348 106.7 12.8 -71.6 144.2 28.7 -41.1 6.8 53 61 A F T 3 S+ 0 0 102 1,-0.2 59,-2.1 58,-0.1 2,-0.3 0.885 110.7 97.4 54.9 44.5 26.7 -43.3 4.4 54 62 A C E < -E 111 0B 2 -3,-0.7 2,-0.3 57,-0.2 24,-0.3 -0.949 53.4-159.3-142.1 161.1 23.5 -41.5 5.2 55 63 A Y E -E 110 0B 0 55,-1.1 55,-3.1 -2,-0.3 2,-0.6 -0.953 26.4-122.1-131.3 156.2 21.3 -38.8 4.0 56 64 A G E -EF 109 76B 0 20,-2.0 20,-3.2 -2,-0.3 2,-0.6 -0.862 23.6-153.4 -91.6 122.5 18.8 -36.8 6.0 57 65 A R E -EF 108 75B 24 51,-2.7 51,-2.3 -2,-0.6 2,-0.9 -0.890 12.6-139.6 -94.2 123.2 15.3 -37.1 4.7 58 66 A I E -E 107 0B 1 16,-2.4 49,-0.2 -2,-0.6 13,-0.1 -0.778 39.0-168.0 -69.6 107.8 13.0 -34.2 5.5 59 67 A A E -E 106 0B 0 47,-2.9 47,-2.5 -2,-0.9 140,-0.1 -0.845 18.3-102.6-113.3 147.8 10.0 -36.5 6.1 60 68 A P - 0 0 14 0, 0.0 2,-0.4 0, 0.0 140,-0.2 -0.226 20.3-132.1 -65.8 145.9 6.3 -35.7 6.5 61 69 A R > - 0 0 52 43,-0.3 4,-2.2 8,-0.2 3,-0.4 -0.826 21.4-133.0 -84.3 138.3 4.5 -35.5 9.8 62 70 A S H > S+ 0 0 50 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.895 102.2 58.0 -62.2 -41.5 1.2 -37.5 9.4 63 71 A G H 4 S+ 0 0 44 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.804 110.9 41.8 -59.1 -34.4 -0.9 -34.8 10.9 64 72 A L H >4>S+ 0 0 25 -3,-0.4 5,-2.4 2,-0.2 3,-1.0 0.883 111.6 54.6 -80.9 -43.0 0.2 -32.2 8.4 65 73 A S H ><5S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.903 104.6 55.8 -50.7 -45.4 -0.1 -34.6 5.5 66 74 A L T 3<5S+ 0 0 87 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.711 105.8 51.8 -63.9 -21.0 -3.7 -35.3 6.6 67 75 A K T < 5S- 0 0 146 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.398 129.0 -99.3 -93.0 -0.6 -4.3 -31.5 6.2 68 76 A G T < 5S+ 0 0 2 -3,-1.9 23,-2.9 -4,-0.3 2,-0.8 0.685 78.2 139.0 91.9 22.2 -2.8 -31.6 2.7 69 77 A I E < -J 90 0D 4 -5,-2.4 -1,-0.2 21,-0.2 21,-0.2 -0.851 29.8-177.2-104.6 102.7 0.7 -30.4 3.6 70 78 A D E -J 89 0D 20 19,-2.3 19,-3.2 -2,-0.8 2,-0.5 -0.504 25.8-111.5 -99.1 165.9 3.2 -32.3 1.6 71 79 A I E -J 88 0D 32 17,-0.2 2,-0.3 -2,-0.2 17,-0.2 -0.879 23.4-151.9-102.6 121.6 7.0 -32.2 1.5 72 80 A G E -J 87 0D 1 15,-3.1 15,-0.7 -2,-0.5 2,-0.1 -0.697 64.2 -31.1 -87.5 143.1 8.9 -30.9 -1.5 73 81 A G + 0 0 12 -2,-0.3 -2,-0.1 1,-0.1 249,-0.1 -0.311 67.1 171.4 55.1-120.0 12.4 -32.3 -2.3 74 82 A G + 0 0 9 1,-0.2 -16,-2.4 -2,-0.1 2,-0.8 0.599 19.8 137.9 96.5 15.5 13.9 -33.0 1.1 75 83 A V E -F 57 0B 6 236,-0.3 2,-0.8 -18,-0.2 -1,-0.2 -0.832 33.8-164.1 -95.8 106.2 17.2 -34.9 0.4 76 84 A I E -F 56 0B 13 -20,-3.2 -20,-2.0 -2,-0.8 8,-0.0 -0.819 18.4-138.4 -90.3 109.1 19.9 -33.5 2.8 77 85 A D > - 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