==== 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 15-MAY-09 3HHQ . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.U.SINGER,E.EVDOKIMOVA,M.KUDRITSKA,A.DONG,A.M.EDWARDS,A.F.Y . 3045 32 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 110461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2031 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 137 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 968 31.8 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 . 449 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 4.0 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+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 24 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 11 13 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 . 38 35 39 48 33 24 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 . 24 42 1 1 24 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 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 0 123 0, 0.0 2,-0.2 0, 0.0 246,-0.1 0.000 360.0 360.0 360.0 119.8 7.4 26.9 46.8 2 7 A K - 0 0 96 244,-0.2 246,-2.6 51,-0.1 2,-0.4 -0.589 360.0-147.6 -93.8 149.2 7.8 25.3 43.4 3 8 A V E -a 248 0A 48 244,-0.3 2,-0.6 -2,-0.2 246,-0.2 -0.978 18.6-162.4-136.6 127.7 6.3 26.9 40.2 4 9 A L E -a 249 0A 0 244,-2.1 246,-2.7 -2,-0.4 2,-0.5 -0.926 22.5-155.2-100.5 112.6 4.9 25.7 37.0 5 10 A K E -aB 250 51A 83 46,-1.9 46,-2.0 -2,-0.6 2,-0.4 -0.798 10.7-166.9 -95.6 128.2 4.8 28.7 34.6 6 11 A I E -aB 251 50A 0 244,-2.8 246,-3.0 -2,-0.5 2,-0.5 -0.927 10.1-159.4-117.6 138.4 2.2 28.6 31.8 7 12 A Q E - B 0 49A 30 42,-3.0 42,-1.6 -2,-0.4 2,-0.8 -0.975 11.2-147.8-118.8 122.1 1.9 30.7 28.6 8 13 A L E - B 0 48A 67 -2,-0.5 40,-0.2 244,-0.5 39,-0.1 -0.791 11.6-170.8 -87.2 112.2 -1.4 30.9 26.9 9 14 A R + 0 0 110 38,-2.9 2,-0.3 -2,-0.8 -1,-0.2 0.676 67.2 4.6 -85.5 -15.1 -0.4 31.4 23.3 10 15 A S S > S- 0 0 43 37,-0.7 3,-1.5 -3,-0.1 -1,-0.1 -0.971 77.6-100.2-157.8 170.1 -4.0 32.1 22.2 11 16 A A T 3 S+ 0 0 113 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.660 116.9 65.0 -70.2 -15.2 -7.6 32.6 23.5 12 17 A S T 3 S+ 0 0 43 2,-0.0 -1,-0.3 19,-0.0 92,-0.1 0.584 84.7 99.3 -76.7 -12.5 -8.4 29.0 22.5 13 18 A A < - 0 0 15 -3,-1.5 2,-0.4 34,-0.2 34,-0.1 -0.302 62.4-146.3 -78.3 157.5 -5.9 27.7 25.1 14 19 A T - 0 0 47 32,-0.5 15,-0.4 15,-0.3 3,-0.1 -0.997 19.9-119.8-127.2 131.9 -6.9 26.4 28.6 15 20 A V - 0 0 50 -2,-0.4 12,-0.1 1,-0.1 236,-0.0 -0.448 45.3-105.7 -64.0 130.5 -4.7 26.8 31.7 16 21 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 12,-0.2 -0.231 38.3-141.0 -57.3 154.4 -4.0 23.2 32.9 17 22 A T B C 27 0B 51 10,-0.7 10,-3.3 1,-0.1 -3,-0.0 -0.891 360.0 360.0-123.3 143.3 -6.0 22.1 35.9 18 23 A K 0 0 58 -2,-0.4 3,-0.1 8,-0.2 -1,-0.1 -0.072 360.0 360.0-145.8 360.0 -5.2 20.0 39.0 19 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 20 25 A S > 0 0 72 0, 0.0 3,-0.9 0, 0.0 190,-0.0 0.000 360.0 360.0 360.0 134.9 -7.2 17.8 43.6 21 26 A A T 3 + 0 0 81 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 0.668 360.0 47.7 -71.5 -24.3 -3.9 18.3 45.6 22 27 A T T 3 S+ 0 0 46 -4,-0.1 187,-1.1 224,-0.0 188,-0.7 0.180 83.3 112.5-107.4 14.8 -2.9 14.6 45.6 23 28 A A < - 0 0 14 -3,-0.9 184,-0.0 222,-0.2 -5,-0.0 -0.577 65.8-138.3 -81.7 154.8 -3.5 14.0 42.0 24 29 A A S S+ 0 0 1 -2,-0.2 88,-0.6 162,-0.1 2,-0.2 0.834 73.8 44.3 -82.2 -35.8 -0.3 13.3 40.0 25 30 A G E - D 0 111B 5 86,-0.1 2,-0.4 181,-0.1 86,-0.2 -0.561 65.9-129.4-121.2 169.4 -1.0 15.4 36.9 26 31 A Y E - D 0 110B 2 84,-1.9 84,-3.1 -2,-0.2 -8,-0.2 -0.937 42.1-110.0-113.8 132.6 -2.4 18.7 35.5 27 32 A D E -CD 17 109B 47 -10,-3.3 -10,-0.7 -2,-0.4 2,-0.4 -0.484 26.0-151.9 -72.1 141.0 -5.0 18.3 32.8 28 33 A I E - D 0 108B 0 80,-2.3 79,-2.5 -2,-0.2 80,-1.0 -0.933 12.2-157.3-116.2 132.4 -4.1 19.3 29.3 29 34 A Y E - D 0 106B 28 -2,-0.4 -15,-0.3 -15,-0.4 77,-0.3 -0.839 18.8-114.2-115.1 143.6 -6.8 20.5 26.9 30 35 A A - 0 0 0 75,-3.4 74,-3.8 -2,-0.3 16,-0.3 -0.572 17.6-168.6 -72.7 139.3 -7.1 20.6 23.1 31 36 A S S S+ 0 0 1 14,-2.4 2,-0.3 -2,-0.2 15,-0.2 0.398 74.7 38.4-103.6 -6.7 -7.2 24.2 21.7 32 37 A Q S S- 0 0 98 13,-0.8 13,-0.3 70,-0.1 -1,-0.2 -0.997 87.9-105.6-144.6 145.5 -8.3 22.9 18.2 33 38 A D + 0 0 101 -2,-0.3 2,-0.3 70,-0.1 69,-0.2 -0.375 48.4 159.5 -62.7 148.9 -10.6 20.2 16.8 34 39 A I E -H 101 0C 38 67,-2.2 67,-2.1 10,-0.1 2,-0.4 -0.923 33.8-134.7-166.8 144.9 -8.7 17.2 15.4 35 40 A T E -H 100 0C 73 -2,-0.3 65,-0.2 65,-0.2 6,-0.1 -0.954 10.1-150.8-108.2 132.6 -9.5 13.5 14.6 36 41 A I E -H 99 0C 0 63,-2.7 63,-2.9 -2,-0.4 6,-0.1 -0.920 29.5-129.6 -93.5 113.4 -7.1 10.7 15.6 37 42 A P > - 0 0 55 0, 0.0 3,-1.6 0, 0.0 56,-0.3 -0.277 27.6 -88.0 -72.0 154.0 -7.6 8.0 13.0 38 43 A A T 3 S+ 0 0 32 1,-0.3 58,-0.2 58,-0.2 56,-0.1 -0.316 114.1 0.9 -56.2 129.9 -8.2 4.3 13.9 39 44 A M T 3 S+ 0 0 44 56,-1.3 -1,-0.3 54,-0.5 55,-0.2 0.815 125.3 86.1 59.2 33.7 -4.9 2.5 14.3 40 45 A G E < -I 93 0D 16 -3,-1.6 53,-2.7 53,-0.7 2,-0.3 -0.571 69.4-120.2-140.9-158.3 -3.1 5.8 13.5 41 46 A Q E -I 92 0D 44 51,-0.2 2,-0.3 -2,-0.2 51,-0.2 -0.944 17.8-175.4-152.3 170.1 -1.9 8.9 15.2 42 47 A G E -I 91 0D 15 49,-1.7 49,-2.4 -2,-0.3 2,-0.5 -0.971 26.7-114.7-165.3 161.1 -2.4 12.7 15.3 43 48 A M E -I 90 0D 69 -2,-0.3 2,-0.4 47,-0.2 47,-0.2 -0.943 24.9-147.9-110.9 121.5 -1.0 15.8 16.9 44 49 A V E -I 89 0D 0 45,-3.1 45,-2.1 -2,-0.5 2,-0.3 -0.761 10.7-137.7 -89.6 129.5 -3.3 17.8 19.2 45 50 A S + 0 0 16 -2,-0.4 -14,-2.4 -13,-0.3 -13,-0.8 -0.676 26.7 169.9 -80.7 138.6 -2.8 21.5 19.4 46 51 A T - 0 0 1 -2,-0.3 -32,-0.5 -16,-0.3 -17,-0.1 0.473 33.2-140.8-117.0 -17.0 -3.0 23.0 22.9 47 52 A D + 0 0 24 1,-0.2 -38,-2.9 -34,-0.1 -37,-0.7 0.798 64.9 112.7 45.6 33.7 -1.7 26.6 22.3 48 53 A I E -B 8 0A 3 39,-0.3 39,-2.5 -40,-0.2 2,-0.3 -0.963 46.2-168.9-122.6 159.3 0.2 26.5 25.6 49 54 A S E -B 7 0A 0 -42,-1.6 -42,-3.0 -2,-0.3 2,-0.3 -0.928 16.5-174.7-128.6 152.6 3.9 26.5 26.4 50 55 A F E -B 6 0A 1 33,-0.4 2,-0.4 -2,-0.3 -44,-0.2 -0.960 25.7-144.6-146.4 164.4 5.3 25.8 29.9 51 56 A T E -B 5 0A 19 -46,-2.0 -46,-1.9 -2,-0.3 30,-0.1 -0.987 26.2-146.1-126.9 117.2 8.4 25.7 32.0 52 57 A V - 0 0 1 -2,-0.4 -48,-0.1 -48,-0.2 3,-0.1 -0.395 32.8 -83.6 -78.2 158.7 8.4 23.0 34.6 53 58 A P > - 0 0 5 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.189 56.7 -83.1 -59.1 154.8 10.1 23.5 38.1 54 59 A V T 3 S+ 0 0 110 1,-0.2 3,-0.1 -3,-0.1 -51,-0.0 -0.273 117.7 33.2 -52.7 147.2 13.9 22.9 38.5 55 60 A G T 3 S+ 0 0 20 1,-0.3 60,-2.3 -3,-0.1 2,-0.3 0.482 110.7 75.8 82.5 4.2 14.7 19.2 39.0 56 61 A T E < -E 114 0B 3 -3,-1.2 2,-0.3 58,-0.2 25,-0.3 -0.824 58.5-151.0-135.9 166.6 11.8 17.9 36.8 57 62 A Y E -E 113 0B 1 56,-1.4 56,-1.5 -2,-0.3 2,-0.6 -0.912 35.4-107.3-127.4 161.9 10.8 17.5 33.2 58 63 A G E -EF 112 79B 0 21,-2.4 21,-2.0 -2,-0.3 2,-0.7 -0.827 29.5-158.4 -90.3 117.3 7.2 17.6 32.0 59 64 A R E -EF 111 78B 24 52,-3.0 52,-2.2 -2,-0.6 2,-0.8 -0.867 9.6-146.1 -96.8 117.3 5.8 14.2 31.1 60 65 A I E -E 110 0B 6 17,-2.2 50,-0.2 -2,-0.7 30,-0.1 -0.732 33.9-179.1 -75.6 112.3 2.8 14.2 28.8 61 66 A A E -E 109 0B 0 48,-3.2 48,-2.3 -2,-0.8 14,-0.1 -0.678 25.5 -92.1-118.9 158.0 0.9 11.1 30.1 62 67 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 144,-0.2 -0.336 27.2-122.5 -73.4 147.5 -2.3 9.4 29.1 63 68 A R > - 0 0 64 44,-0.4 4,-1.6 1,-0.1 141,-0.2 -0.774 22.6-139.3 -74.5 134.4 -5.8 9.9 30.6 64 69 A S H > S+ 0 0 52 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.900 97.1 53.1 -64.2 -45.2 -6.9 6.6 31.9 65 70 A G H > S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.849 109.2 49.8 -64.7 -34.4 -10.5 6.8 30.7 66 71 A L H >>S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 6,-1.3 0.851 106.8 54.5 -73.8 -36.4 -9.5 7.5 27.2 67 72 A A H X5S+ 0 0 0 -4,-1.6 4,-1.2 4,-0.3 -2,-0.2 0.940 113.2 44.5 -51.1 -55.2 -7.0 4.5 27.1 68 73 A V H <5S+ 0 0 66 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.908 125.9 27.3 -59.2 -47.8 -9.9 2.3 28.2 69 74 A K H <5S+ 0 0 122 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.724 133.6 25.7-103.0 -14.6 -12.6 3.5 25.8 70 75 A N H <5S- 0 0 13 -4,-2.3 25,-0.5 -5,-0.2 -3,-0.2 0.435 96.0-117.3-124.0 -5.6 -10.8 4.9 22.8 71 76 A G << + 0 0 1 -4,-1.2 23,-2.7 -5,-0.5 2,-0.5 0.788 56.0 166.7 74.7 28.7 -7.5 3.0 22.8 72 77 A I E +J 93 0D 5 -6,-1.3 132,-0.4 21,-0.2 2,-0.4 -0.664 13.7 172.6 -91.2 124.6 -5.6 6.2 23.3 73 78 A Q E -J 92 0D 14 19,-2.4 19,-3.2 -2,-0.5 2,-0.3 -0.976 30.0-123.2-123.5 142.1 -2.0 6.2 24.3 74 79 A T E -J 91 0D 8 -2,-0.4 17,-0.2 17,-0.2 2,-0.2 -0.615 25.7-159.8 -81.6 144.2 0.2 9.2 24.5 75 80 A G E +J 90 0D 1 15,-2.8 15,-0.5 -2,-0.3 256,-0.1 -0.697 61.2 2.4-116.5 172.3 3.5 9.3 22.4 76 81 A A + 0 0 16 254,-0.4 3,-0.1 -2,-0.2 13,-0.1 -0.337 67.9 158.0 51.0-129.5 6.6 11.4 22.7 77 82 A G + 0 0 6 1,-0.2 -17,-2.2 11,-0.2 2,-0.8 0.460 22.6 124.0 101.4 1.4 5.8 13.3 25.9 78 83 A V E -F 59 0B 7 -19,-0.2 2,-0.7 242,-0.2 -1,-0.2 -0.864 36.1-178.6 -94.9 106.7 9.3 14.3 27.2 79 84 A V E -F 58 0B 14 -21,-2.0 -21,-2.4 -2,-0.8 -27,-0.1 -0.934 19.2-139.0-113.6 112.7 9.1 18.1 27.5 80 85 A D > - 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