==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JAN-07 2OKE . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR N.SCHORMANN,D.CHATTOPADHYAY . 369 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 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 . 61 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.4 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 4 5 7 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 0 127 0, 0.0 2,-0.6 0, 0.0 240,-0.2 0.000 360.0 360.0 360.0 116.2 9.1 -46.1 17.3 2 10 A V E -a 241 0A 4 238,-2.5 240,-2.0 46,-0.0 2,-0.2 -0.680 360.0-146.9 -85.2 116.8 8.8 -43.2 14.8 3 11 A R E -a 242 0A 127 -2,-0.6 46,-2.0 46,-0.4 2,-0.3 -0.555 17.8-174.1 -78.4 141.0 11.3 -40.3 15.4 4 12 A F E -aB 243 48A 9 238,-2.2 240,-3.3 44,-0.2 2,-0.4 -0.938 12.5-148.9-133.3 162.1 10.3 -36.7 14.6 5 13 A V E -aB 244 47A 10 42,-3.5 42,-2.3 -2,-0.3 2,-0.5 -0.996 11.6-139.1-131.9 129.1 12.1 -33.3 14.6 6 14 A K E - B 0 46A 70 238,-0.6 40,-0.2 -2,-0.4 3,-0.1 -0.770 8.7-164.0 -81.2 125.4 10.6 -29.8 15.2 7 15 A E S S+ 0 0 102 38,-2.2 2,-0.3 -2,-0.5 -1,-0.1 0.809 76.2 6.9 -77.6 -33.4 12.1 -27.3 12.7 8 16 A T S > S- 0 0 45 37,-0.5 3,-1.8 -3,-0.1 -1,-0.2 -0.955 77.9-107.3-142.8 161.3 11.0 -24.4 14.9 9 17 A N T 3 S+ 0 0 159 -2,-0.3 36,-0.0 1,-0.3 -3,-0.0 0.365 115.0 72.7 -69.2 6.1 9.3 -23.8 18.3 10 18 A R T 3 S+ 0 0 106 35,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.608 78.8 92.8 -92.3 -19.9 6.3 -22.9 16.2 11 19 A A < - 0 0 4 -3,-1.8 2,-0.4 34,-0.2 34,-0.1 -0.475 67.6-145.7 -74.5 147.7 5.8 -26.6 15.3 12 20 A K - 0 0 96 32,-0.5 15,-0.4 15,-0.3 3,-0.1 -0.968 21.1-109.6-123.0 130.9 3.5 -28.7 17.5 13 21 A S - 0 0 37 -2,-0.4 12,-0.1 1,-0.1 33,-0.0 -0.337 41.6-106.8 -58.1 130.2 4.0 -32.4 18.3 14 22 A P - 0 0 13 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.331 43.6-146.9 -62.1 142.7 1.4 -34.6 16.6 15 23 A T B -C 25 0B 43 10,-0.7 10,-2.1 -3,-0.1 2,-0.4 -0.742 15.4-145.2-122.0 157.3 -1.2 -36.0 19.0 16 24 A R - 0 0 80 -2,-0.3 8,-0.1 8,-0.2 0, 0.0 -0.984 6.2-172.3-120.9 134.5 -3.4 -39.1 19.7 17 25 A Q - 0 0 131 -2,-0.4 -1,-0.1 6,-0.3 7,-0.1 0.873 67.1 -5.9 -88.8 -45.6 -6.9 -38.8 21.2 18 26 A S > - 0 0 38 1,-0.0 3,-1.5 0, 0.0 -1,-0.3 -0.951 69.3 -99.8-151.3 163.3 -7.7 -42.5 21.8 19 27 A P T 3 S+ 0 0 109 0, 0.0 183,-0.1 0, 0.0 -1,-0.0 0.764 121.3 45.0 -58.6 -28.9 -6.6 -46.1 21.2 20 28 A G T 3 S+ 0 0 3 183,-0.1 182,-1.7 181,-0.1 183,-1.1 0.320 83.5 123.8-100.9 6.3 -8.9 -46.6 18.3 21 29 A A < - 0 0 8 -3,-1.5 3,-0.1 180,-0.2 179,-0.0 -0.212 63.9-128.7 -58.9 157.3 -8.2 -43.2 16.5 22 30 A A - 0 0 0 177,-0.1 87,-0.3 86,-0.0 2,-0.2 0.962 68.9 -37.6 -75.4 -53.1 -7.0 -43.5 12.9 23 31 A G S S- 0 0 4 85,-0.1 2,-0.4 215,-0.1 -6,-0.3 -0.469 74.9 -51.0-147.5-145.8 -3.9 -41.3 13.1 24 32 A Y E - D 0 107B 16 83,-2.2 83,-3.3 -2,-0.2 -8,-0.2 -0.925 46.7-113.0-121.2 133.7 -2.1 -38.3 14.5 25 33 A D E -CD 15 106B 12 -10,-2.1 -10,-0.7 -2,-0.4 2,-0.4 -0.408 26.6-151.7 -66.3 127.3 -3.3 -34.6 14.6 26 34 A L E - D 0 105B 2 79,-2.9 78,-2.4 -2,-0.2 79,-1.1 -0.848 11.8-158.0-101.6 138.5 -1.2 -32.2 12.4 27 35 A Y E - D 0 103B 24 -15,-0.4 -15,-0.3 -2,-0.4 76,-0.2 -0.877 18.8-111.6-120.1 146.2 -1.0 -28.6 13.5 28 36 A S - 0 0 0 74,-1.9 73,-2.3 -2,-0.3 16,-0.2 -0.513 16.8-166.0 -73.1 140.9 -0.3 -25.4 11.6 29 37 A A S S+ 0 0 0 14,-2.3 2,-0.3 71,-0.2 15,-0.1 0.497 71.8 36.0-101.0 -8.6 3.0 -23.7 12.4 30 38 A Y S S- 0 0 62 13,-0.4 2,-0.4 69,-0.1 71,-0.1 -0.874 86.0 -96.6-139.7 168.9 2.1 -20.4 10.7 31 39 A D + 0 0 107 -2,-0.3 2,-0.3 68,-0.1 68,-0.2 -0.781 42.6 176.5 -93.1 130.3 -0.9 -18.0 9.9 32 40 A Y E -H 98 0C 36 66,-2.1 66,-2.3 -2,-0.4 2,-0.4 -0.931 24.5-153.8-131.9 153.6 -2.7 -18.4 6.6 33 41 A T E -H 97 0C 88 -2,-0.3 64,-0.2 64,-0.2 -2,-0.0 -0.965 14.7-169.1-127.2 112.4 -5.7 -16.9 4.8 34 42 A I E -H 96 0C 0 62,-3.0 62,-3.0 -2,-0.4 3,-0.1 -0.904 9.8-152.5-106.7 111.3 -7.3 -19.1 2.2 35 43 A P > - 0 0 56 0, 0.0 3,-1.8 0, 0.0 55,-0.3 -0.400 38.7 -74.5 -78.5 158.5 -9.9 -17.4 -0.0 36 44 A P T 3 S+ 0 0 59 0, 0.0 55,-0.2 0, 0.0 3,-0.1 -0.261 120.3 19.1 -54.4 132.1 -12.8 -19.3 -1.6 37 45 A G T 3 S+ 0 0 48 53,-2.8 2,-0.3 1,-0.3 54,-0.1 0.476 105.9 110.1 86.1 4.8 -11.7 -21.5 -4.6 38 46 A E < - 0 0 66 -3,-1.8 52,-2.8 52,-0.4 2,-0.3 -0.813 53.8-149.9-115.4 153.0 -8.0 -21.5 -3.5 39 47 A R E -I 89 0D 44 -2,-0.3 2,-0.4 50,-0.2 50,-0.2 -0.901 13.3-165.7-114.8 150.0 -5.6 -24.0 -2.0 40 48 A Q E -I 88 0D 76 48,-2.0 48,-1.9 -2,-0.3 2,-0.4 -0.986 22.1-125.5-142.6 126.1 -2.7 -23.2 0.3 41 49 A L E -I 87 0D 77 -2,-0.4 2,-0.6 46,-0.2 46,-0.2 -0.572 27.9-155.3 -69.5 124.5 0.3 -25.2 1.4 42 50 A I E -I 86 0D 0 44,-2.5 44,-2.2 -2,-0.4 2,-0.3 -0.898 4.8-144.3-112.3 108.6 0.4 -25.3 5.2 43 51 A K E -I 85 0D 91 -2,-0.6 -14,-2.3 42,-0.2 -13,-0.4 -0.549 17.5-178.5 -74.9 125.6 3.7 -25.9 6.9 44 52 A T - 0 0 0 40,-1.8 -32,-0.5 -2,-0.3 -1,-0.2 0.639 33.9-136.4 -90.2 -20.9 3.5 -28.0 10.0 45 53 A D + 0 0 3 39,-0.4 -38,-2.2 1,-0.2 -37,-0.5 0.822 61.5 129.2 61.1 36.5 7.3 -27.6 10.6 46 54 A I E -B 6 0A 2 38,-0.4 38,-2.5 -40,-0.2 2,-0.4 -0.983 35.8-176.7-123.5 124.6 7.5 -31.3 11.4 47 55 A S E +B 5 0A 5 -42,-2.3 -42,-3.5 -2,-0.5 2,-0.3 -0.962 11.7 172.5-115.4 139.8 9.9 -33.7 9.9 48 56 A M E -B 4 0A 2 -2,-0.4 2,-0.9 34,-0.4 -44,-0.2 -0.975 38.3-118.9-142.6 157.7 9.9 -37.5 10.7 49 57 A S - 0 0 26 -46,-2.0 -46,-0.4 -2,-0.3 30,-0.1 -0.866 40.8-139.5 -96.2 100.4 11.4 -40.7 9.6 50 58 A M - 0 0 10 -2,-0.9 -47,-0.0 28,-0.6 4,-0.0 -0.207 21.9-102.5 -58.8 146.5 8.4 -42.8 8.4 51 59 A P > - 0 0 30 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.308 46.9 -82.6 -74.3 159.2 8.3 -46.5 9.3 52 60 A K T 3 S+ 0 0 138 1,-0.2 3,-0.1 59,-0.0 216,-0.1 -0.154 104.5 12.2 -61.2 148.4 9.1 -49.2 6.8 53 61 A F T 3 S+ 0 0 99 1,-0.2 59,-2.5 58,-0.1 2,-0.3 0.744 113.3 76.4 58.8 31.2 6.6 -50.6 4.2 54 62 A C E < -E 111 0B 0 -3,-0.8 2,-0.3 57,-0.2 57,-0.2 -0.927 61.7-138.4-152.7 176.5 4.1 -47.8 4.8 55 63 A Y E -E 110 0B 0 55,-1.7 55,-2.5 -2,-0.3 2,-0.5 -0.994 21.6-118.2-141.7 149.2 3.2 -44.2 4.0 56 64 A G E -EF 109 76B 0 20,-1.7 20,-3.0 -2,-0.3 2,-0.5 -0.757 27.5-155.1 -84.0 128.9 1.7 -41.2 6.0 57 65 A R E -EF 108 75B 28 51,-2.1 51,-1.8 -2,-0.5 2,-0.9 -0.932 13.4-137.6-107.1 120.5 -1.6 -40.0 4.5 58 66 A I E -E 107 0B 3 16,-2.5 49,-0.2 -2,-0.5 29,-0.1 -0.720 37.7-171.2 -74.7 107.7 -2.6 -36.4 5.2 59 67 A A E -E 106 0B 0 47,-3.3 47,-2.6 -2,-0.9 139,-0.1 -0.823 20.2-106.1-112.7 144.4 -6.3 -37.1 5.9 60 68 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 139,-0.2 -0.282 20.5-129.1 -67.4 147.2 -9.2 -34.7 6.3 61 69 A R > - 0 0 56 43,-0.4 4,-2.7 8,-0.1 3,-0.5 -0.849 19.6-135.4 -86.3 134.6 -10.8 -33.9 9.7 62 70 A S H > S+ 0 0 75 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.855 101.5 62.1 -60.9 -38.9 -14.6 -34.3 9.2 63 71 A G H > S+ 0 0 38 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.886 112.9 36.3 -53.6 -43.6 -15.3 -31.1 11.0 64 72 A L H >>>S+ 0 0 11 -3,-0.5 5,-2.1 2,-0.2 3,-1.0 0.915 109.9 62.2 -77.0 -46.6 -13.5 -29.2 8.4 65 73 A S H ><5S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.3 -2,-0.2 0.871 104.2 50.3 -41.6 -46.9 -14.6 -31.4 5.5 66 74 A L H 3<5S+ 0 0 86 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.793 104.9 55.9 -67.5 -30.9 -18.2 -30.4 6.3 67 75 A K H <<5S- 0 0 146 -3,-1.0 26,-0.3 -4,-0.7 -1,-0.3 0.601 130.5 -97.1 -75.8 -12.6 -17.2 -26.7 6.2 68 76 A G T <<5S+ 0 0 3 -4,-1.0 23,-2.4 -3,-0.9 2,-0.7 0.571 77.9 141.1 108.8 16.0 -15.9 -27.3 2.7 69 77 A I E < -J 90 0D 3 -5,-2.1 -1,-0.2 21,-0.2 2,-0.2 -0.818 26.8-176.7 -98.2 115.3 -12.2 -27.9 3.5 70 78 A D E -J 89 0D 22 19,-2.3 19,-3.2 -2,-0.7 2,-0.3 -0.707 22.8-118.5-111.0 158.8 -10.6 -30.6 1.4 71 79 A I E -J 88 0D 35 -2,-0.2 2,-0.3 17,-0.2 17,-0.2 -0.758 23.5-162.5 -96.6 141.0 -7.1 -32.2 1.3 72 80 A G E -J 87 0D 1 15,-1.9 15,-0.7 -2,-0.3 2,-0.1 -0.841 62.6 -13.2-118.1 159.8 -4.8 -32.1 -1.7 73 81 A G + 0 0 9 -2,-0.3 3,-0.1 236,-0.2 237,-0.1 -0.348 69.1 164.7 50.9-118.5 -1.8 -34.2 -2.5 74 82 A G + 0 0 5 11,-0.2 -16,-2.5 1,-0.2 2,-0.9 0.502 19.7 131.6 94.6 6.7 -1.2 -35.8 0.9 75 83 A V E -F 57 0B 9 233,-0.2 2,-0.8 -18,-0.2 -1,-0.2 -0.826 35.3-168.0 -93.4 105.5 1.2 -38.7 0.2 76 84 A I E -F 56 0B 13 -20,-3.0 -20,-1.7 -2,-0.9 8,-0.0 -0.859 18.8-140.9 -92.7 111.4 4.1 -38.6 2.6 77 85 A D > - 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