==== 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 19-JUL-06 2HQU . COMPND 2 MOLECULE: DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.BARABAS,B.VARGA,B.G.VERTESSY . 403 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 31.5 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 . 65 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 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 PARALLEL BRIDGES PER LADDER . 2 7 4 7 1 6 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 24 A M 0 0 73 0, 0.0 257,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -37.8 31.9 -16.2 -7.5 2 25 A Q E -a 258 0A 52 255,-0.3 2,-0.7 46,-0.0 257,-0.2 -0.989 360.0-158.0-136.4 130.1 28.6 -17.6 -6.0 3 26 A L E -a 259 0A 2 255,-3.4 257,-2.6 -2,-0.4 2,-0.4 -0.904 18.8-161.7-101.4 107.3 26.3 -16.2 -3.3 4 27 A R E +aB 260 48A 118 44,-1.7 44,-2.8 -2,-0.7 2,-0.3 -0.734 13.4 173.8 -91.3 137.4 24.2 -19.1 -1.8 5 28 A F E -aB 261 47A 4 255,-2.0 257,-2.8 -2,-0.4 2,-0.4 -0.988 16.8-160.2-138.3 151.4 21.0 -18.4 0.1 6 29 A A E - B 0 46A 0 40,-2.2 40,-2.3 -2,-0.3 2,-0.4 -0.986 25.5-120.3-124.5 141.8 18.2 -20.4 1.6 7 30 A R E - B 0 45A 101 255,-0.4 38,-0.3 -2,-0.4 37,-0.1 -0.674 14.7-164.6 -78.8 129.5 14.8 -19.1 2.5 8 31 A L S S+ 0 0 83 36,-3.5 2,-0.3 -2,-0.4 37,-0.2 0.593 75.5 5.9 -87.3 -13.2 13.9 -19.5 6.2 9 32 A S S > S- 0 0 28 35,-0.8 3,-1.0 0, 0.0 -1,-0.1 -0.945 79.8-100.1-153.6 175.9 10.2 -18.9 5.5 10 33 A E T 3 S+ 0 0 182 -2,-0.3 34,-0.0 1,-0.2 -3,-0.0 0.493 113.8 70.3 -77.4 -3.3 7.7 -18.5 2.6 11 34 A H T 3 S+ 0 0 106 33,-0.1 -1,-0.2 2,-0.1 90,-0.2 0.471 77.0 100.7 -93.4 -6.1 7.8 -14.7 3.3 12 35 A A < - 0 0 5 -3,-1.0 2,-0.4 32,-0.2 32,-0.1 -0.497 57.6-154.3 -77.5 150.3 11.4 -14.3 2.0 13 36 A T - 0 0 54 30,-0.3 13,-0.4 13,-0.3 3,-0.1 -0.977 28.0-105.8-121.4 139.3 12.1 -13.0 -1.5 14 37 A A - 0 0 29 -2,-0.4 10,-0.1 1,-0.1 247,-0.0 -0.463 44.1-108.5 -60.8 124.5 15.2 -13.8 -3.5 15 38 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.198 39.3-157.8 -51.7 148.5 17.6 -10.8 -3.5 16 39 A T B C 24 0B 58 8,-1.0 8,-3.1 -3,-0.1 6,-0.0 -0.972 360.0 360.0-134.7 151.5 17.8 -9.0 -6.9 17 40 A R 0 0 121 -2,-0.3 6,-0.2 6,-0.2 4,-0.0 -0.762 360.0 360.0 -89.2 360.0 20.3 -6.7 -8.6 18 ! 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 19 44 A R 0 0 83 0, 0.0 201,-0.8 0, 0.0 202,-0.4 0.000 360.0 360.0 360.0 30.8 26.6 -3.7 -12.5 20 45 A A - 0 0 22 199,-0.1 198,-0.1 1,-0.1 176,-0.0 -0.487 360.0-141.2 -67.0 136.0 24.8 -2.8 -9.3 21 46 A A S S+ 0 0 6 -2,-0.2 88,-0.5 196,-0.1 2,-0.3 0.745 78.8 52.3 -68.6 -27.7 27.1 -3.2 -6.3 22 47 A G E - D 0 108B 1 86,-0.2 2,-0.6 195,-0.1 86,-0.2 -0.854 68.5-137.9-120.1 146.4 24.3 -4.6 -4.2 23 48 A Y E - D 0 107B 13 84,-2.1 84,-3.1 -2,-0.3 -6,-0.2 -0.921 41.2-119.7 -88.1 122.4 21.6 -7.2 -4.2 24 49 A D E -CD 16 106B 15 -8,-3.1 -8,-1.0 -2,-0.6 2,-0.4 -0.441 22.5-139.2 -67.1 131.6 18.5 -5.6 -2.8 25 50 A L E - D 0 105B 2 80,-2.7 79,-1.5 -2,-0.2 80,-0.9 -0.836 12.6-143.0 -97.5 134.0 17.2 -7.2 0.4 26 51 A Y E - D 0 103B 35 -13,-0.4 -13,-0.3 -2,-0.4 77,-0.2 -0.807 15.6-120.1-101.7 129.2 13.4 -7.6 0.8 27 52 A S - 0 0 0 75,-2.6 74,-2.5 -2,-0.4 16,-0.2 -0.381 14.2-155.3 -60.8 140.5 11.6 -7.3 4.1 28 53 A A S S+ 0 0 2 14,-2.8 2,-0.2 72,-0.2 72,-0.2 0.678 72.1 26.9 -89.0 -21.0 9.7 -10.4 5.1 29 54 A Y S S- 0 0 83 13,-0.5 2,-0.4 70,-0.1 72,-0.1 -0.786 86.5 -90.3-133.6 173.9 7.2 -8.6 7.3 30 55 A D + 0 0 106 -2,-0.2 2,-0.4 69,-0.2 69,-0.2 -0.772 44.3 179.2 -86.4 133.2 5.3 -5.4 7.8 31 56 A Y E -H 98 0C 50 67,-3.0 67,-3.0 -2,-0.4 2,-0.5 -0.985 22.2-154.3-131.9 144.7 7.0 -2.9 10.2 32 57 A T E -H 97 0C 82 -2,-0.4 65,-0.2 65,-0.2 -2,-0.0 -0.978 13.3-165.6-114.1 117.0 6.1 0.5 11.4 33 58 A I E -H 96 0C 1 63,-2.8 63,-3.1 -2,-0.5 3,-0.1 -0.890 12.3-145.4-105.2 107.8 9.2 2.6 12.5 34 59 A P > - 0 0 62 0, 0.0 3,-0.9 0, 0.0 56,-0.2 -0.093 39.5 -72.5 -59.4 163.5 8.3 5.7 14.5 35 60 A P T 3 S+ 0 0 63 0, 0.0 56,-0.2 0, 0.0 58,-0.2 -0.341 119.3 11.0 -59.1 141.1 10.3 8.9 14.2 36 61 A M T 3 S+ 0 0 55 54,-1.5 2,-0.3 56,-0.8 55,-0.2 0.888 110.8 107.7 53.9 44.5 13.8 8.7 15.8 37 62 A E E < -I 90 0D 78 53,-1.0 53,-3.0 -3,-0.9 2,-0.3 -0.913 53.9-142.4-142.6 169.0 13.5 5.0 16.2 38 63 A K E -I 89 0D 41 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.806 7.7-165.8-130.8 169.0 15.0 1.8 14.8 39 64 A A E -I 88 0D 21 49,-1.8 49,-2.7 -2,-0.3 2,-0.8 -0.984 25.0-128.2-155.3 145.3 13.9 -1.8 13.9 40 65 A V E -I 87 0D 54 -2,-0.3 2,-0.6 47,-0.2 47,-0.2 -0.900 32.0-157.5 -95.1 107.9 15.5 -5.1 13.0 41 66 A V E -I 86 0D 0 45,-3.2 45,-3.0 -2,-0.8 2,-0.3 -0.809 8.6-138.0 -92.3 119.9 13.8 -6.0 9.8 42 67 A K E -I 85 0D 106 -2,-0.6 -14,-2.8 43,-0.2 -13,-0.5 -0.587 19.9-174.5 -77.9 135.5 13.9 -9.7 9.1 43 68 A T - 0 0 1 41,-1.8 -30,-0.3 -2,-0.3 -1,-0.1 0.637 33.5-137.4 -91.4 -22.2 14.6 -10.9 5.5 44 69 A D + 0 0 9 40,-0.4 -36,-3.5 1,-0.3 -35,-0.8 0.801 64.5 116.7 58.7 33.7 14.0 -14.5 6.5 45 70 A I E -B 7 0A 4 39,-0.3 39,-2.7 -38,-0.3 2,-0.4 -0.942 52.6-152.2-122.2 149.8 17.0 -15.6 4.4 46 71 A Q E -B 6 0A 22 -40,-2.3 -40,-2.2 -2,-0.3 2,-0.3 -0.971 19.7-154.4-116.8 141.4 20.3 -17.2 5.4 47 72 A I E -B 5 0A 3 35,-0.4 2,-0.5 -2,-0.4 -42,-0.2 -0.864 21.9-159.2-121.8 148.1 23.4 -16.6 3.3 48 73 A A E -B 4 0A 2 -44,-2.8 -44,-1.7 -2,-0.3 30,-0.1 -0.882 26.0-157.7-117.7 92.7 26.7 -18.3 2.5 49 74 A L - 0 0 13 -2,-0.5 -46,-0.1 29,-0.2 3,-0.1 -0.380 24.5-102.8 -64.3 145.2 28.9 -15.5 1.2 50 75 A P > - 0 0 18 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.287 51.0 -78.8 -60.7 159.6 31.9 -16.6 -1.0 51 76 A S T 3 S+ 0 0 90 1,-0.2 3,-0.1 60,-0.0 0, 0.0 -0.224 111.4 29.0 -65.7 147.9 35.4 -16.6 0.5 52 77 A G T 3 S+ 0 0 22 1,-0.2 60,-2.2 -3,-0.1 2,-0.3 0.664 108.3 80.0 77.8 16.4 37.4 -13.5 1.0 53 78 A C E < -E 111 0B 0 -3,-0.8 2,-0.3 58,-0.3 58,-0.2 -0.982 57.4-153.0-144.2 158.7 34.4 -11.3 1.4 54 79 A Y E -E 110 0B 0 56,-2.1 56,-1.7 -2,-0.3 2,-0.7 -0.813 30.4-113.9-117.3 168.5 31.8 -10.2 4.0 55 80 A G E -EF 109 76B 0 21,-2.7 21,-2.6 -2,-0.3 2,-0.5 -0.915 27.7-159.4-105.5 110.7 28.3 -9.0 3.2 56 81 A R E -EF 108 75B 18 52,-2.9 52,-2.8 -2,-0.7 2,-0.7 -0.807 12.7-139.4 -89.9 128.0 27.7 -5.4 4.1 57 82 A V E -E 107 0B 5 17,-2.0 50,-0.2 -2,-0.5 30,-0.1 -0.808 31.9-172.7 -84.1 117.5 24.1 -4.3 4.5 58 83 A A E -E 106 0B 0 48,-3.3 48,-2.7 -2,-0.7 2,-0.1 -0.860 22.9-108.8-117.2 145.3 24.0 -0.9 2.9 59 84 A P - 0 0 10 0, 0.0 2,-0.3 0, 0.0 158,-0.3 -0.379 27.6-123.6 -65.8 143.7 21.3 1.8 2.7 60 85 A R > - 0 0 64 44,-0.3 4,-1.5 1,-0.1 155,-0.2 -0.737 17.8-134.0 -83.1 145.9 19.4 2.5 -0.6 61 86 A S H > S+ 0 0 38 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.709 99.1 59.4 -77.4 -27.6 19.8 6.2 -1.6 62 87 A G H > S+ 0 0 8 2,-0.2 4,-2.5 3,-0.2 5,-0.4 0.924 109.2 43.1 -66.3 -48.0 16.1 6.7 -2.4 63 88 A L H > S+ 0 0 27 2,-0.2 4,-1.5 1,-0.2 6,-1.5 0.856 117.8 47.9 -69.8 -35.7 14.9 5.8 1.1 64 89 A A H X S+ 0 0 0 -4,-1.5 4,-1.3 4,-0.3 -2,-0.2 0.946 116.8 40.6 -63.7 -50.8 17.8 7.9 2.6 65 90 A A H < S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.903 127.6 30.5 -69.7 -42.7 17.2 11.0 0.4 66 91 A K H < S+ 0 0 130 -4,-2.5 -3,-0.2 -5,-0.2 -1,-0.2 0.824 135.2 21.3 -84.8 -37.1 13.4 11.0 0.6 67 92 A H H < S- 0 0 88 -4,-1.5 25,-0.5 -5,-0.4 -3,-0.2 0.366 95.5-115.8-123.2 4.8 12.7 9.5 4.0 68 93 A F < + 0 0 4 -4,-1.3 23,-1.9 1,-0.2 24,-0.5 0.880 57.7 161.9 63.3 39.7 15.8 9.9 6.1 69 94 A I E +J 90 0D 5 -6,-1.5 146,-0.4 21,-0.2 2,-0.3 -0.752 12.4 176.4 -94.9 136.1 16.3 6.1 6.3 70 95 A D E -J 89 0D 9 19,-2.4 19,-4.1 -2,-0.4 2,-0.5 -0.958 27.2-125.7-135.9 159.1 19.7 4.7 7.3 71 96 A V E -J 88 0D 14 -2,-0.3 17,-0.2 17,-0.2 2,-0.1 -0.912 24.4-163.6-103.9 122.9 21.1 1.2 8.0 72 97 A G E +J 87 0D 1 15,-2.7 15,-0.5 -2,-0.5 282,-0.1 -0.423 63.9 6.1 -91.9 176.0 22.9 0.6 11.3 73 98 A A + 0 0 10 280,-0.3 282,-0.1 271,-0.3 -2,-0.1 -0.303 68.0 167.8 52.7-123.9 25.2 -2.3 12.1 74 99 A G + 0 0 8 11,-0.2 -17,-2.0 1,-0.1 2,-1.0 0.484 22.2 128.8 107.2 7.7 25.6 -4.1 8.7 75 100 A V E -F 56 0B 18 268,-0.3 2,-0.8 -19,-0.2 -19,-0.2 -0.756 31.4-176.4-102.8 92.6 28.5 -6.5 9.1 76 101 A I E -F 55 0B 16 -21,-2.6 -21,-2.7 -2,-1.0 2,-0.1 -0.791 20.4-140.9 -90.4 112.8 27.4 -10.0 7.9 77 102 A D > - 0 0 13 -2,-0.8 3,-2.1 -23,-0.2 -28,-0.2 -0.396 17.5-118.1 -77.1 145.2 30.2 -12.4 8.5 78 103 A E T 3 S+ 0 0 21 225,-0.6 -29,-0.2 1,-0.3 -1,-0.1 0.733 115.5 48.9 -42.8 -32.5 31.2 -15.2 6.1 79 104 A D T 3 S+ 0 0 12 224,-0.4 192,-0.8 -31,-0.1 2,-0.3 0.384 81.1 117.5-101.9 4.1 30.3 -17.7 8.8 80 105 A Y B < +k 271 0E 20 -3,-2.1 -33,-0.2 190,-0.2 192,-0.2 -0.573 29.9 170.5 -73.7 134.1 26.9 -16.4 9.8 81 106 A R + 0 0 26 190,-3.0 191,-0.3 -2,-0.3 184,-0.1 0.280 45.6 94.7-125.5 2.6 24.1 -18.9 9.2 82 107 A G S S- 0 0 4 189,-0.8 -35,-0.4 191,-0.2 2,-0.3 -0.128 90.2 -55.1 -85.2-173.6 21.2 -17.1 10.9 83 108 A N - 0 0 34 -37,-0.1 2,-0.5 189,-0.1 -37,-0.2 -0.469 55.5-123.4 -60.0 119.9 18.4 -14.8 9.7 84 109 A V - 0 0 1 -39,-2.7 -41,-1.8 -2,-0.3 -40,-0.4 -0.604 34.2-162.7 -67.6 119.7 19.9 -11.8 7.9 85 110 A G E -I 42 0D 11 -2,-0.5 2,-0.6 -43,-0.2 -43,-0.2 -0.892 12.1-147.3-109.5 138.0 18.5 -8.8 9.8 86 111 A V E -I 41 0D 0 -45,-3.0 -45,-3.2 -2,-0.4 2,-1.1 -0.911 8.4-149.9-104.8 115.2 18.4 -5.2 8.5 87 112 A V E -IJ 40 72D 3 -2,-0.6 -15,-2.7 -15,-0.5 2,-0.4 -0.720 19.5-165.4 -84.8 101.0 18.8 -2.6 11.3 88 113 A L E -IJ 39 71D 0 -49,-2.7 -49,-1.8 -2,-1.1 2,-0.5 -0.772 6.7-156.0 -91.9 132.6 16.8 0.3 9.9 89 114 A F E -IJ 38 70D 0 -19,-4.1 -19,-2.4 -2,-0.4 2,-0.9 -0.936 0.8-158.4-107.1 122.7 17.3 3.7 11.5 90 115 A N E +IJ 37 69D 2 -53,-3.0 -54,-1.5 -2,-0.5 -53,-1.0 -0.793 23.3 162.4-102.9 92.3 14.4 6.2 11.0 91 116 A F + 0 0 5 -23,-1.9 -1,-0.2 -2,-0.9 -22,-0.1 0.567 45.3 104.3 -85.2 -7.4 15.9 9.6 11.6 92 117 A G S S- 0 0 10 -24,-0.5 -56,-0.8 -25,-0.5 4,-0.1 -0.114 81.1-119.6 -68.4 167.1 12.9 11.3 9.9 93 118 A K S S+ 0 0 78 -58,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.574 93.0 73.2 -84.4 -11.3 10.1 13.2 11.6 94 119 A E S S- 0 0 144 -27,-0.2 2,-0.2 -60,-0.1 -58,-0.2 -0.680 89.5-107.9-101.5 155.7 7.6 10.7 10.1 95 120 A K - 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