==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-OCT-08 3F4F . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.U.SINGER,E.EVDOKIMOVA,M.KUDRITSKA,A.M.EDWARDS,A.F.YAKUNIN, . 413 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 30.0 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 . 58 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.6 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+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 3 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 . 2 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 PARALLEL BRIDGES PER LADDER . 3 6 4 7 3 4 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 6 A D 0 0 89 0, 0.0 257,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.4 -15.9 -45.5 18.4 2 7 A K + 0 0 106 51,-0.1 257,-2.5 50,-0.0 2,-0.4 0.229 360.0 118.8-120.8 7.9 -14.9 -45.8 14.7 3 8 A V E -a 259 0A 49 255,-0.2 2,-0.6 49,-0.1 257,-0.2 -0.658 42.2-167.5 -90.6 126.7 -17.9 -44.1 13.2 4 9 A L E -a 260 0A 0 255,-3.0 257,-2.6 -2,-0.4 2,-0.5 -0.945 14.8-154.0-106.1 110.5 -17.5 -40.9 11.1 5 10 A K E -aB 261 51A 75 46,-2.0 46,-2.1 -2,-0.6 2,-0.4 -0.738 11.4-168.6 -90.6 130.5 -20.9 -39.3 10.5 6 11 A I E -aB 262 50A 0 255,-2.8 257,-2.7 -2,-0.5 2,-0.5 -0.959 9.8-161.9-121.0 131.9 -21.3 -37.2 7.4 7 12 A Q E - B 0 49A 41 42,-3.4 42,-2.0 -2,-0.4 2,-0.7 -0.955 11.2-148.9-109.3 128.6 -24.1 -34.8 6.5 8 13 A L E - B 0 48A 66 -2,-0.5 40,-0.2 255,-0.5 39,-0.1 -0.870 10.1-170.5 -96.2 113.9 -24.5 -33.8 2.9 9 14 A R + 0 0 111 38,-3.0 2,-0.3 -2,-0.7 39,-0.1 0.664 65.6 3.0 -83.0 -16.5 -26.0 -30.2 2.9 10 15 A S S > S- 0 0 42 37,-0.7 3,-1.3 1,-0.0 -1,-0.1 -0.966 77.4 -97.4-157.2 172.1 -26.6 -30.1 -0.8 11 16 A A T 3 S+ 0 0 109 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.720 116.4 66.8 -68.2 -17.8 -26.4 -32.0 -4.1 12 17 A S T 3 S+ 0 0 43 2,-0.1 -1,-0.2 35,-0.0 92,-0.2 0.623 82.4 95.0 -78.8 -14.1 -23.1 -30.2 -4.7 13 18 A A < - 0 0 16 -3,-1.3 2,-0.4 34,-0.2 34,-0.1 -0.425 63.0-148.0 -75.6 152.6 -21.3 -32.0 -1.9 14 19 A T - 0 0 52 32,-0.4 15,-0.4 15,-0.3 3,-0.1 -0.984 22.7-114.8-118.7 135.2 -19.2 -35.2 -2.3 15 20 A V - 0 0 53 -2,-0.4 12,-0.1 1,-0.1 247,-0.0 -0.478 45.8-105.2 -55.7 124.3 -18.9 -37.9 0.3 16 21 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.277 42.2-146.7 -56.6 145.1 -15.3 -37.9 1.4 17 22 A T E -C 27 0B 53 10,-0.9 10,-2.9 -3,-0.1 2,-0.6 -0.908 14.4-125.8-122.5 147.0 -13.3 -40.8 -0.1 18 23 A K E -C 26 0B 73 -2,-0.4 8,-0.2 8,-0.2 3,-0.0 -0.806 21.6-158.5 -91.6 120.5 -10.5 -43.1 1.0 19 24 A G + 0 0 53 -2,-0.6 2,-0.3 6,-0.6 -1,-0.1 0.462 66.5 7.1 -85.3 -7.2 -7.9 -42.9 -1.8 20 25 A S S > S- 0 0 23 1,-0.1 3,-1.4 3,-0.0 -1,-0.1 -0.969 87.8 -85.2-167.6 167.3 -6.1 -46.1 -1.0 21 26 A A T 3 S+ 0 0 85 -2,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.835 124.5 14.0 -51.9 -47.4 -6.2 -49.2 1.2 22 27 A T T 3 S+ 0 0 41 -3,-0.1 198,-0.8 235,-0.0 -1,-0.3 -0.039 86.8 158.5-123.8 33.9 -4.4 -47.7 4.3 23 28 A A < - 0 0 4 -3,-1.4 195,-0.0 196,-0.2 -3,-0.0 -0.209 42.9-134.6 -47.3 141.6 -4.6 -43.9 3.3 24 29 A A S S+ 0 0 4 193,-0.1 88,-0.5 173,-0.1 2,-0.2 0.816 79.6 18.5 -64.9 -35.5 -4.2 -41.6 6.3 25 30 A G E S- D 0 111B 4 86,-0.2 -6,-0.6 192,-0.1 2,-0.4 -0.698 72.8-108.1-137.1 176.4 -7.0 -39.4 5.2 26 31 A Y E -CD 18 110B 10 84,-2.1 84,-3.0 -2,-0.2 -8,-0.2 -0.947 39.8-109.7-113.9 138.4 -10.2 -38.9 3.2 27 32 A D E -CD 17 109B 32 -10,-2.9 -10,-0.9 -2,-0.4 2,-0.4 -0.421 27.5-149.8 -65.8 132.9 -10.3 -36.6 0.1 28 33 A I E - D 0 108B 3 80,-2.6 79,-2.3 -12,-0.2 80,-0.9 -0.899 12.4-151.0-104.4 135.2 -12.3 -33.5 0.6 29 34 A Y E - D 0 106B 37 -2,-0.4 -15,-0.3 -15,-0.4 77,-0.2 -0.893 15.6-117.8-112.0 136.0 -14.0 -32.0 -2.5 30 35 A A - 0 0 0 75,-2.4 74,-3.1 -2,-0.4 16,-0.2 -0.436 17.1-164.0 -60.3 141.0 -14.9 -28.4 -3.4 31 36 A S S S+ 0 0 4 14,-2.3 2,-0.3 1,-0.2 15,-0.2 0.415 75.0 31.8-105.0 -1.8 -18.7 -28.0 -3.7 32 37 A Q S S- 0 0 129 13,-0.6 13,-0.2 70,-0.1 -1,-0.2 -0.986 89.5-100.0-154.9 142.6 -18.3 -24.7 -5.5 33 38 A D + 0 0 80 -2,-0.3 2,-0.3 -3,-0.1 69,-0.2 -0.324 47.8 162.2 -58.0 145.0 -15.8 -23.0 -7.9 34 39 A I E -H 101 0C 48 67,-2.1 67,-2.4 10,-0.1 2,-0.5 -0.961 31.8-136.4-162.2 148.6 -13.3 -20.6 -6.3 35 40 A T E -H 100 0C 79 -2,-0.3 65,-0.2 65,-0.2 6,-0.1 -0.946 11.3-150.9-108.1 131.5 -10.0 -18.9 -7.1 36 41 A I E -H 99 0C 0 63,-2.7 63,-2.9 -2,-0.5 6,-0.1 -0.909 28.4-126.8 -95.2 115.7 -7.3 -18.7 -4.4 37 42 A P > - 0 0 58 0, 0.0 3,-1.7 0, 0.0 56,-0.3 -0.316 28.1 -91.9 -69.6 148.2 -5.3 -15.5 -5.2 38 43 A A T 3 S+ 0 0 29 1,-0.3 58,-0.2 58,-0.2 60,-0.1 -0.223 112.1 2.8 -50.8 136.4 -1.5 -15.5 -5.5 39 44 A M T 3 S+ 0 0 58 56,-1.6 -1,-0.3 54,-0.4 55,-0.2 0.791 126.5 85.5 51.3 34.4 0.2 -14.8 -2.2 40 45 A G E < -I 93 0D 18 -3,-1.7 53,-2.6 53,-0.8 2,-0.3 -0.433 68.1-126.7-142.2-155.9 -3.3 -14.7 -0.7 41 46 A Q E +I 92 0D 46 51,-0.2 2,-0.3 -2,-0.2 51,-0.2 -0.968 17.2 177.0-158.9 166.6 -5.9 -17.0 0.7 42 47 A G E -I 91 0D 16 49,-2.1 49,-2.7 -2,-0.3 2,-0.5 -0.964 29.9-105.5-166.2-178.2 -9.5 -18.1 0.5 43 48 A M E -I 90 0D 63 -2,-0.3 2,-0.5 47,-0.2 47,-0.2 -0.977 25.2-147.7-123.5 121.8 -12.1 -20.5 1.9 44 49 A V E -I 89 0D 0 45,-3.4 45,-2.5 -2,-0.5 2,-0.2 -0.767 14.9-133.4 -91.9 129.7 -13.4 -23.5 -0.1 45 50 A S E +I 88 0D 22 -2,-0.5 -14,-2.3 -13,-0.2 -13,-0.6 -0.531 27.1 171.0 -72.3 145.9 -17.0 -24.6 0.3 46 51 A T - 0 0 1 41,-0.5 -32,-0.4 -16,-0.2 -1,-0.1 0.516 32.7-140.6-121.9 -23.3 -17.7 -28.3 0.8 47 52 A D + 0 0 38 40,-0.2 -38,-3.0 1,-0.2 -37,-0.7 0.820 65.5 115.9 54.4 31.7 -21.4 -28.3 1.7 48 53 A I E -B 8 0A 3 39,-0.5 39,-2.9 -40,-0.2 2,-0.3 -0.962 45.2-170.5-125.5 151.6 -20.6 -31.1 4.3 49 54 A S E -B 7 0A 0 -42,-2.0 -42,-3.4 -2,-0.3 2,-0.3 -0.947 15.3-177.5-126.2 151.4 -20.8 -31.3 8.0 50 55 A F E -B 6 0A 2 -2,-0.3 2,-0.5 35,-0.3 -44,-0.2 -0.995 27.2-144.0-147.6 159.5 -19.4 -34.2 10.1 51 56 A T E -B 5 0A 17 -46,-2.1 -46,-2.0 -2,-0.3 30,-0.1 -0.977 28.6-146.6-120.0 111.2 -19.0 -35.6 13.6 52 57 A V - 0 0 2 -2,-0.5 -48,-0.1 -48,-0.2 -49,-0.1 -0.288 32.7 -81.2 -72.4 160.3 -15.6 -37.3 14.0 53 58 A P > - 0 0 0 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 -0.214 55.1 -89.4 -58.0 153.0 -15.2 -40.4 16.3 54 59 A V T 3 S+ 0 0 81 1,-0.2 3,-0.1 -3,-0.1 -51,-0.0 -0.384 117.2 34.4 -58.1 138.0 -14.8 -39.9 20.1 55 60 A G T 3 S+ 0 0 15 1,-0.3 60,-2.4 -3,-0.1 2,-0.3 0.504 111.5 77.0 90.4 4.7 -11.1 -39.5 20.9 56 61 A T E < -E 114 0B 2 -3,-1.6 -1,-0.3 58,-0.3 2,-0.3 -0.860 58.7-152.0-129.8 169.8 -10.3 -37.7 17.7 57 62 A Y E -E 113 0B 0 56,-1.4 56,-1.2 -2,-0.3 2,-0.8 -0.900 33.6-109.3-129.2 165.8 -10.6 -34.4 16.0 58 63 A G E -EF 112 79B 0 21,-2.2 21,-3.0 -2,-0.3 2,-0.6 -0.847 31.5-160.6 -96.3 112.7 -10.9 -33.9 12.2 59 64 A R E -EF 111 78B 24 52,-3.2 52,-2.7 -2,-0.8 2,-0.8 -0.827 10.8-145.7 -93.7 126.6 -7.7 -32.3 10.8 60 65 A I E +E 110 0B 5 17,-2.2 50,-0.2 -2,-0.6 30,-0.1 -0.821 32.9 178.3 -88.4 114.1 -7.9 -30.6 7.4 61 66 A A E -E 109 0B 0 48,-3.2 48,-2.9 -2,-0.8 155,-0.1 -0.757 29.4 -83.3-121.3 158.1 -4.5 -31.4 5.9 62 67 A P - 0 0 7 0, 0.0 2,-0.6 0, 0.0 155,-0.2 -0.272 26.9-127.8 -65.8 144.6 -2.9 -30.6 2.6 63 68 A R >> - 0 0 56 44,-0.4 4,-1.0 1,-0.1 3,-0.7 -0.858 29.2-136.2 -80.4 122.3 -3.3 -32.6 -0.6 64 69 A S H >> S+ 0 0 31 -2,-0.6 4,-1.7 1,-0.2 3,-0.7 0.863 95.4 55.2 -55.7 -47.9 0.4 -33.2 -1.5 65 70 A G H 3> S+ 0 0 1 350,-0.4 4,-2.6 1,-0.2 5,-0.4 0.838 104.7 54.7 -55.3 -35.3 0.3 -32.4 -5.2 66 71 A L H <> S+ 0 0 14 -3,-0.7 6,-1.9 2,-0.2 4,-1.5 0.814 104.6 54.5 -71.0 -30.3 -1.3 -29.0 -4.7 67 72 A A H - 0 0 19 -2,-0.7 3,-1.8 -23,-0.2 220,-0.1 -0.383 15.3-122.2 -72.1 151.2 -13.9 -30.0 16.7 81 86 A R T 3 S+ 0 0 54 218,-0.6 219,-0.1 1,-0.3 -1,-0.1 0.776 112.0 53.6 -62.2 -27.3 -16.0 -33.1 17.4 82 87 A D T 3 S+ 0 0 12 217,-0.5 190,-0.4 -31,-0.1 2,-0.4 0.385 82.1 116.0 -87.6 5.6 -18.9 -30.8 18.6 83 88 A Y < + 0 0 28 -3,-1.8 -33,-0.3 1,-0.1 190,-0.2 -0.605 29.6 166.1 -80.5 125.4 -18.9 -28.8 15.3 84 89 A T + 0 0 32 188,-2.2 189,-0.3 -2,-0.4 182,-0.1 0.253 44.4 100.0-118.5 10.5 -22.1 -29.1 13.2 85 90 A G S S- 0 0 2 187,-0.7 -35,-0.3 1,-0.2 2,-0.3 -0.231 91.3 -67.8 -81.6 178.9 -21.7 -26.1 10.8 86 91 A E - 0 0 28 187,-0.1 2,-0.5 -37,-0.1 -37,-0.2 -0.537 51.9-124.7 -66.4 132.9 -20.4 -26.5 7.2 87 92 A V - 0 0 3 -39,-2.9 -41,-0.5 -2,-0.3 -39,-0.5 -0.721 29.6-163.2 -80.1 127.7 -16.8 -27.5 7.2 88 93 A K E -I 45 0D 51 -2,-0.5 2,-0.7 -43,-0.1 -43,-0.2 -0.882 14.9-134.1-112.6 141.2 -14.8 -25.0 5.2 89 94 A V E -I 44 0D 0 -45,-2.5 -45,-3.4 -2,-0.4 2,-0.5 -0.892 16.4-152.4 -97.3 117.9 -11.3 -25.6 3.8 90 95 A V E -IJ 43 75D 3 -2,-0.7 -15,-2.6 -15,-0.5 2,-0.4 -0.787 17.3-168.8 -86.6 124.6 -9.0 -22.6 4.4 91 96 A L E -IJ 42 74D 0 -49,-2.7 -49,-2.1 -2,-0.5 2,-0.4 -0.977 15.7-160.6-120.1 130.9 -6.2 -22.4 1.7 92 97 A F E -IJ 41 73D 0 -19,-3.5 -19,-2.6 -2,-0.4 2,-0.6 -0.879 10.3-154.8 -96.4 136.4 -3.1 -20.2 1.6 93 98 A N E +IJ 40 72D 1 -53,-2.6 -53,-0.8 -2,-0.4 -54,-0.4 -0.959 15.3 177.0-111.0 108.6 -1.6 -19.8 -1.9 94 99 A H + 0 0 21 -23,-3.2 -23,-0.1 -2,-0.6 -22,-0.1 0.367 52.1 91.6 -93.7 5.4 2.1 -19.1 -1.4 95 100 A S S S- 0 0 26 -25,-0.5 -56,-1.6 2,-0.2 -55,-0.1 -0.377 84.2-115.7 -94.9 176.2 2.8 -19.0 -5.2 96 101 A Q S S+ 0 0 133 -58,-0.2 2,-0.4 -2,-0.1 -58,-0.2 0.406 92.6 76.2 -89.4 -0.4 2.8 -16.1 -7.6 97 102 A R S S- 0 0 184 -27,-0.2 -2,-0.2 -60,-0.1 -58,-0.2 -0.934 85.4-115.2-115.1 136.7 -0.1 -17.5 -9.6 98 103 A D - 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