==== 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 11-AUG-03 1Q5U . COMPND 2 MOLECULE: DUTP PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.MOL,J.M.HARRIS,E.M.MCINTOSH,J.A.TAINER . 390 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 32.3 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 . 62 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 6 3 3 6 3 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 -2 X H 0 0 182 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.3 -15.8 30.5 18.6 2 -1 X H - 0 0 125 1,-0.1 2,-2.6 2,-0.0 0, 0.0 -0.108 360.0 -74.1 -74.1 177.8 -14.0 33.8 18.6 3 0 X H + 0 0 78 1,-0.1 2,-1.6 2,-0.0 53,-0.4 -0.410 67.1 160.2 -73.6 64.2 -13.0 35.9 15.6 4 1 X M + 0 0 28 -2,-2.6 247,-1.9 51,-0.1 2,-0.5 -0.437 26.5 131.3 -87.3 61.4 -10.1 33.5 14.9 5 2 X Q E -a 251 0A 57 -2,-1.6 2,-0.7 245,-0.2 247,-0.2 -0.971 48.2-156.2-123.5 124.3 -9.8 34.6 11.3 6 3 X L E -a 252 0A 2 245,-3.1 247,-2.4 -2,-0.5 2,-0.4 -0.908 22.8-165.4 -91.3 116.4 -6.7 35.6 9.4 7 4 X R E +aB 253 53A 83 46,-1.7 46,-2.5 -2,-0.7 2,-0.3 -0.833 8.9 179.4-103.5 143.9 -7.9 37.9 6.6 8 5 X F E -aB 254 52A 7 245,-2.3 247,-2.8 -2,-0.4 2,-0.4 -0.980 14.3-160.6-140.3 155.5 -5.8 38.8 3.6 9 6 X A E - B 0 51A 0 42,-2.2 42,-2.2 -2,-0.3 2,-0.4 -0.992 23.7-121.9-132.7 143.9 -6.1 40.9 0.4 10 7 X R E - B 0 50A 100 245,-0.4 40,-0.2 -2,-0.4 39,-0.1 -0.687 15.1-167.9 -83.2 133.7 -4.0 40.7 -2.8 11 8 X L S S+ 0 0 80 38,-3.4 2,-0.3 -2,-0.4 39,-0.2 0.548 71.8 5.3 -97.2 -10.3 -2.2 44.0 -3.8 12 9 X S S > S- 0 0 25 37,-0.7 3,-1.1 1,-0.0 -1,-0.2 -0.973 78.9 -96.9-160.4 170.5 -1.3 42.7 -7.3 13 10 X E T 3 S+ 0 0 162 -2,-0.3 36,-0.0 1,-0.2 -3,-0.0 0.659 114.6 66.3 -64.7 -17.3 -1.6 39.9 -9.8 14 11 X H T 3 S+ 0 0 62 2,-0.1 -1,-0.2 35,-0.0 92,-0.2 0.611 78.0 105.0 -85.7 -12.7 1.7 38.5 -8.6 15 12 X A < - 0 0 6 -3,-1.1 2,-0.4 34,-0.2 34,-0.1 -0.376 56.3-150.2 -72.8 145.0 0.6 37.5 -5.1 16 13 X T - 0 0 54 32,-0.4 15,-0.4 15,-0.3 3,-0.1 -0.954 25.8-109.6-112.6 135.3 -0.0 33.9 -4.0 17 14 X A - 0 0 27 -2,-0.4 12,-0.1 1,-0.1 237,-0.0 -0.390 41.4-106.8 -58.0 131.3 -2.6 33.1 -1.3 18 15 X P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.365 40.5-160.9 -58.8 140.5 -0.9 31.9 1.9 19 16 X T B -C 29 0B 56 10,-0.7 10,-3.4 -3,-0.1 2,-0.5 -0.872 14.2-134.3-122.9 157.5 -1.2 28.1 2.5 20 17 X R - 0 0 80 -2,-0.3 8,-0.1 8,-0.2 3,-0.0 -0.960 6.5-151.4-112.6 131.2 -0.8 25.8 5.6 21 18 X G S S+ 0 0 68 -2,-0.5 2,-0.3 6,-0.4 -1,-0.1 0.760 77.9 2.8 -71.4 -28.1 1.1 22.6 5.2 22 19 X S S > S- 0 0 40 1,-0.1 3,-1.0 0, 0.0 -1,-0.1 -0.930 77.5-100.9-149.6 170.7 -0.8 20.7 7.9 23 20 X A T 3 S+ 0 0 74 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.881 123.2 34.8 -63.1 -41.1 -3.7 21.1 10.3 24 21 X R T 3 S+ 0 0 94 -3,-0.0 189,-0.9 188,-0.0 190,-0.4 0.005 85.1 138.2-106.8 27.9 -1.5 21.8 13.3 25 22 X A < - 0 0 7 -3,-1.0 186,-0.0 187,-0.2 164,-0.0 -0.521 54.3-135.4 -69.3 139.4 1.3 23.7 11.4 26 23 X A S S+ 0 0 5 -2,-0.2 88,-0.5 87,-0.1 2,-0.3 0.822 77.8 25.6 -66.6 -34.5 2.5 26.8 13.3 27 24 X G E S- D 0 113B 2 86,-0.2 2,-0.4 222,-0.1 -6,-0.4 -0.830 71.3-116.0-131.9 163.9 2.5 29.1 10.3 28 25 X Y E - D 0 112B 15 84,-2.0 84,-2.8 -2,-0.3 -8,-0.2 -0.876 45.0-110.3 -94.6 134.6 1.0 29.9 6.9 29 26 X D E -CD 19 111B 8 -10,-3.4 -10,-0.7 -2,-0.4 2,-0.4 -0.428 28.4-147.5 -64.0 132.9 3.6 29.8 4.1 30 27 X L E - D 0 110B 2 80,-2.7 79,-2.6 -12,-0.2 80,-1.1 -0.887 11.2-152.1-105.8 137.7 4.5 33.2 2.5 31 28 X Y E - D 0 108B 26 -2,-0.4 -15,-0.3 -15,-0.4 2,-0.2 -0.852 16.0-117.8-112.9 140.4 5.3 33.4 -1.2 32 29 X S - 0 0 1 75,-2.4 74,-3.2 -2,-0.4 16,-0.2 -0.548 14.6-162.2 -70.3 138.2 7.5 35.9 -3.1 33 30 X A S S+ 0 0 1 14,-2.3 2,-0.3 -2,-0.2 72,-0.2 0.496 71.8 39.3 -94.5 -8.7 5.6 37.9 -5.7 34 31 X Y S S- 0 0 76 13,-0.5 2,-0.5 70,-0.2 72,-0.1 -0.852 84.5 -99.6-139.1 169.1 8.9 38.9 -7.5 35 32 X D + 0 0 100 -2,-0.3 2,-0.4 69,-0.2 69,-0.2 -0.823 41.5 177.8 -94.9 128.3 12.3 37.6 -8.7 36 33 X Y E -H 103 0C 50 67,-2.8 67,-3.0 -2,-0.5 2,-0.6 -0.984 23.8-154.8-131.4 141.6 15.3 38.6 -6.5 37 34 X T E -H 102 0C 84 -2,-0.4 65,-0.2 65,-0.2 63,-0.0 -0.965 14.9-165.7-111.6 113.0 19.0 37.8 -6.6 38 35 X I E -H 101 0C 0 63,-2.8 63,-2.7 -2,-0.6 3,-0.1 -0.880 13.1-144.1-101.7 109.2 20.5 38.1 -3.1 39 36 X P > - 0 0 63 0, 0.0 3,-1.0 0, 0.0 56,-0.2 -0.133 38.5 -73.9 -63.7 164.3 24.4 38.2 -3.3 40 37 X P T 3 S+ 0 0 57 0, 0.0 56,-0.2 0, 0.0 58,-0.2 -0.351 119.3 11.6 -60.4 141.3 26.5 36.5 -0.6 41 38 X M T 3 S+ 0 0 56 54,-1.4 2,-0.3 56,-0.7 55,-0.2 0.837 109.6 114.3 56.8 39.2 26.5 38.3 2.8 42 39 X E E < -I 95 0D 74 -3,-1.0 53,-2.9 53,-1.0 2,-0.3 -0.873 54.2-137.8-134.4 167.1 23.6 40.5 1.7 43 40 X K E -I 94 0D 56 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.807 12.9-171.6-122.1 161.9 20.0 41.3 2.5 44 41 X A E -I 93 0D 19 49,-1.7 49,-2.5 -2,-0.3 2,-0.7 -0.984 25.6-129.1-151.0 145.1 16.8 41.9 0.5 45 42 X V E -I 92 0D 69 -2,-0.3 2,-0.6 47,-0.2 47,-0.2 -0.894 29.2-159.0 -92.8 115.3 13.3 43.0 1.2 46 43 X V E -I 91 0D 1 45,-3.4 45,-2.5 -2,-0.7 2,-0.3 -0.873 6.8-145.8-101.9 115.1 11.1 40.4 -0.5 47 44 X K E -I 90 0D 102 -2,-0.6 -14,-2.3 43,-0.2 -13,-0.5 -0.608 17.7-172.6 -84.9 139.1 7.6 41.6 -1.2 48 45 X T - 0 0 5 41,-1.9 -32,-0.4 -2,-0.3 -1,-0.1 0.579 33.4-134.7 -97.2 -18.0 4.6 39.3 -1.0 49 46 X D + 0 0 7 40,-0.3 -38,-3.4 1,-0.2 -37,-0.7 0.811 66.6 114.9 57.6 33.9 2.1 41.8 -2.4 50 47 X I E -B 10 0A 2 39,-0.3 39,-2.5 -40,-0.2 2,-0.4 -0.960 52.2-153.9-123.3 150.5 -0.4 40.9 0.3 51 48 X Q E -B 9 0A 22 -42,-2.2 -42,-2.2 -2,-0.3 2,-0.3 -0.935 19.5-159.1-112.6 146.6 -1.9 42.9 3.2 52 49 X I E -B 8 0A 0 35,-0.4 2,-0.5 -2,-0.4 -44,-0.2 -0.894 19.4-150.3-126.1 154.8 -3.2 41.0 6.3 53 50 X A E -B 7 0A 2 -46,-2.5 -46,-1.7 -2,-0.3 31,-0.1 -0.932 25.9-148.3-121.5 105.9 -5.6 41.6 9.2 54 51 X L - 0 0 10 29,-0.5 -48,-0.1 -2,-0.5 3,-0.1 -0.305 21.9-104.0 -67.1 149.9 -4.4 39.6 12.3 55 52 X P > - 0 0 1 0, 0.0 3,-0.8 0, 0.0 2,-0.1 -0.356 50.6 -85.8 -63.2 157.5 -6.9 38.2 14.8 56 53 X S T 3 S+ 0 0 53 -53,-0.4 3,-0.1 1,-0.2 60,-0.0 -0.429 110.1 34.1 -68.8 140.5 -7.2 40.0 18.2 57 54 X G T 3 S+ 0 0 23 1,-0.3 60,-1.7 -2,-0.1 2,-0.3 0.622 106.7 72.2 92.7 16.8 -4.7 39.1 20.9 58 55 X C E < -E 116 0B 0 -3,-0.8 -1,-0.3 58,-0.3 2,-0.3 -0.958 60.7-141.5-147.6 165.0 -1.7 38.3 18.7 59 56 X Y E -E 115 0B 0 56,-1.9 56,-1.7 -2,-0.3 2,-0.6 -0.880 32.7-109.8-119.4 165.0 1.0 39.7 16.4 60 57 X G E -EF 114 81B 0 21,-2.7 21,-2.9 -2,-0.3 2,-0.6 -0.850 28.4-161.1 -95.8 118.2 2.2 38.2 13.2 61 58 X R E -EF 113 80B 25 52,-3.1 52,-2.5 -2,-0.6 2,-0.7 -0.886 11.3-145.4 -98.0 122.7 5.8 36.8 13.3 62 59 X V E -E 112 0B 6 17,-2.7 50,-0.2 -2,-0.6 30,-0.1 -0.794 31.8-175.1 -81.8 114.6 7.5 36.3 10.0 63 60 X A E -E 111 0B 0 48,-3.2 48,-2.5 -2,-0.7 146,-0.1 -0.800 22.9-100.6-117.9 153.8 9.5 33.2 10.8 64 61 X P - 0 0 11 0, 0.0 2,-0.4 0, 0.0 146,-0.2 -0.326 27.9-118.4 -72.4 153.5 12.2 31.2 8.8 65 62 X R > - 0 0 57 44,-0.4 4,-1.4 1,-0.1 143,-0.2 -0.754 21.9-134.2 -85.8 140.0 11.6 28.0 6.8 66 63 X S H > S+ 0 0 60 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.887 99.8 50.3 -65.4 -45.1 13.7 25.2 8.1 67 64 X G H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.891 108.2 52.5 -63.0 -42.8 15.1 23.9 4.8 68 65 X L H > S+ 0 0 32 1,-0.2 6,-1.6 2,-0.2 4,-1.3 0.861 113.5 45.2 -62.7 -37.4 16.2 27.3 3.6 69 66 X A H X S+ 0 0 0 -4,-1.4 4,-1.4 4,-0.2 -2,-0.2 0.952 117.6 41.2 -67.1 -52.6 18.2 27.8 6.8 70 67 X A H < S+ 0 0 26 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.834 127.2 29.8 -70.1 -35.9 19.8 24.3 7.0 71 68 X K H < S+ 0 0 149 -4,-2.5 -3,-0.2 -5,-0.2 -1,-0.2 0.807 133.3 23.8 -94.5 -35.0 20.6 24.0 3.3 72 69 X H H < S- 0 0 96 -4,-1.3 25,-0.4 -5,-0.5 -3,-0.2 0.393 94.2-117.8-121.4 0.3 21.2 27.5 2.1 73 70 X F < + 0 0 5 -4,-1.4 23,-2.2 1,-0.2 2,-0.4 0.869 58.3 157.7 62.6 38.6 22.2 29.6 5.2 74 71 X I E -J 95 0D 5 -6,-1.6 134,-0.3 21,-0.2 2,-0.3 -0.783 16.1-179.3 -96.6 138.0 19.1 31.8 4.7 75 72 X D E -J 94 0D 10 19,-2.3 19,-3.1 -2,-0.4 2,-0.5 -0.904 23.8-124.7-133.2 161.5 17.7 33.8 7.7 76 73 X V E -J 93 0D 18 -2,-0.3 17,-0.2 17,-0.2 2,-0.1 -0.946 23.8-164.9-111.4 124.1 14.8 36.1 8.4 77 74 X G E +J 92 0D 1 15,-2.8 15,-0.5 -2,-0.5 261,-0.1 -0.366 60.7 1.6 -92.7 179.0 15.4 39.6 9.8 78 75 X A + 0 0 15 259,-0.3 3,-0.1 250,-0.2 261,-0.1 -0.172 67.7 159.2 44.8-124.6 12.9 42.0 11.4 79 76 X G + 0 0 10 1,-0.2 -17,-2.7 11,-0.2 2,-0.7 0.498 18.7 128.3 97.1 5.3 9.6 40.1 11.2 80 77 X V E -F 61 0B 14 247,-0.3 2,-0.6 -19,-0.2 -1,-0.2 -0.863 34.8-171.3 -94.1 112.8 7.3 41.7 13.8 81 78 X I E -F 60 0B 15 -21,-2.9 -21,-2.7 -2,-0.7 8,-0.0 -0.932 17.4-136.4-106.9 115.8 4.0 42.6 12.3 82 79 X D > - 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