==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 19-MAR-03 1OE4 . COMPND 2 MOLECULE: SINGLE-STRAND SELECTIVE MONOFUNCTIONAL URACIL DNA . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR J.E.A.WIBLEY,L.H.PEARL . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.9 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 . 2 0.4 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 . 18 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 6 2 2 0 0 0 0 2 3 1 2 1 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 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 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 36 A E 0 0 202 0, 0.0 51,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.1 -15.9 41.2 34.8 2 37 A S - 0 0 56 49,-0.1 4,-0.4 1,-0.1 3,-0.4 -0.856 360.0-160.1 -93.0 125.1 -14.7 37.6 34.8 3 38 A P > + 0 0 6 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.463 66.2 101.8 -80.8 1.7 -10.9 37.2 34.2 4 39 A A H > S+ 0 0 1 45,-0.7 4,-2.5 1,-0.2 5,-0.2 0.912 84.1 42.2 -53.6 -52.9 -11.3 33.5 33.2 5 40 A D H > S+ 0 0 105 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.901 116.5 48.9 -62.7 -41.2 -11.1 34.1 29.4 6 41 A S H > S+ 0 0 61 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.885 111.2 50.5 -64.8 -40.0 -8.2 36.6 29.8 7 42 A F H X S+ 0 0 1 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.926 109.3 50.0 -64.7 -45.7 -6.4 34.2 32.1 8 43 A L H X S+ 0 0 8 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.869 107.4 55.4 -61.5 -35.9 -6.7 31.3 29.6 9 44 A K H X S+ 0 0 156 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.888 105.8 51.6 -65.0 -36.7 -5.4 33.6 26.8 10 45 A V H X S+ 0 0 13 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.934 111.6 47.2 -63.6 -44.3 -2.3 34.3 28.9 11 46 A E H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.896 111.0 50.5 -64.9 -40.8 -1.8 30.5 29.4 12 47 A L H X S+ 0 0 85 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.884 110.1 50.7 -64.8 -35.6 -2.3 29.8 25.6 13 48 A E H X S+ 0 0 87 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.916 110.5 49.9 -67.5 -42.2 0.2 32.6 24.8 14 49 A L H X S+ 0 0 11 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.909 107.2 54.0 -59.4 -46.7 2.7 31.0 27.2 15 50 A N H X S+ 0 0 15 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.881 105.7 54.4 -56.1 -40.9 2.2 27.5 25.6 16 51 A L H X S+ 0 0 115 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.950 111.2 43.9 -60.6 -48.9 3.0 29.0 22.2 17 52 A K H >< S+ 0 0 68 -4,-1.9 3,-0.6 1,-0.2 4,-0.2 0.877 115.3 48.3 -62.4 -39.7 6.4 30.4 23.5 18 53 A L H >< S+ 0 0 8 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.854 101.1 65.1 -70.5 -33.0 7.2 27.2 25.4 19 54 A S H 3< S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.721 99.2 53.9 -64.4 -24.0 6.4 25.0 22.3 20 55 A N T << S+ 0 0 124 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.507 87.7 104.2 -87.7 -6.6 9.3 26.5 20.5 21 56 A L < - 0 0 40 -3,-1.8 2,-0.4 -4,-0.2 -3,-0.0 -0.460 56.3-155.0 -75.3 147.6 11.8 25.7 23.2 22 57 A V - 0 0 116 -2,-0.1 2,-0.2 140,-0.0 -2,-0.0 -0.996 10.7-168.2-123.9 122.3 14.3 22.8 22.7 23 58 A F + 0 0 33 -2,-0.4 2,-0.2 5,-0.0 7,-0.1 -0.686 15.7 152.0-104.0 162.2 15.8 21.2 25.8 24 59 A Q > + 0 0 80 -2,-0.2 3,-2.0 5,-0.0 5,-0.1 -0.835 32.4 66.6-153.5-167.0 18.7 18.7 26.0 25 60 A D T 3 S- 0 0 128 1,-0.3 133,-0.0 -2,-0.2 -2,-0.0 -0.599 123.4 -4.2 91.7-103.1 21.5 17.4 28.2 26 61 A P T 3 S+ 0 0 49 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.661 116.6 95.7 -89.1 -19.0 20.0 15.6 31.1 27 62 A V < + 0 0 4 -3,-2.0 120,-0.2 1,-0.2 3,-0.1 -0.560 38.8 153.6 -67.8 119.1 16.5 16.6 29.9 28 63 A Q + 0 0 117 118,-2.6 2,-0.4 -2,-0.5 119,-0.2 0.598 62.0 36.5-114.8 -25.2 15.1 13.7 27.9 29 64 A Y E -A 146 0A 50 117,-1.9 117,-2.2 -5,-0.1 2,-0.4 -0.987 56.8-176.4-134.6 142.0 11.4 14.1 28.3 30 65 A V E -A 145 0A 57 -2,-0.4 2,-0.4 65,-0.3 65,-0.2 -0.981 6.4-171.2-138.8 119.4 9.2 17.2 28.5 31 66 A Y E -A 144 0A 5 113,-2.6 113,-2.3 -2,-0.4 3,-0.1 -0.948 8.9-165.9-111.0 138.5 5.4 17.1 29.2 32 67 A N >> - 0 0 23 -2,-0.4 3,-2.2 111,-0.2 4,-1.3 -0.882 1.9-173.2-117.4 97.7 3.0 20.1 28.9 33 68 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 8,-0.2 0.660 81.7 72.3 -64.9 -14.0 -0.3 19.1 30.6 34 69 A L H 34 S+ 0 0 4 108,-0.2 -19,-0.1 2,-0.1 109,-0.1 0.497 105.9 40.0 -79.1 -0.0 -1.8 22.4 29.4 35 70 A V H X4 S+ 0 0 99 -3,-2.2 3,-1.3 3,-0.0 4,-0.2 0.768 127.4 27.7 -97.3 -67.5 -1.7 20.8 25.9 36 71 A Y H 3< S+ 0 0 11 -4,-1.3 55,-2.6 1,-0.3 -2,-0.1 0.656 133.6 35.4 -75.9 -17.0 -2.8 17.2 26.6 37 72 A A T 3X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.3 -0.095 77.8 123.4-122.3 35.2 -4.9 18.0 29.7 38 73 A W H <> + 0 0 48 -3,-1.3 4,-3.1 1,-0.2 5,-0.3 0.862 65.9 63.8 -61.4 -37.3 -6.2 21.3 28.5 39 74 A A H > S+ 0 0 40 50,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.950 107.0 37.7 -59.2 -56.2 -9.9 20.2 28.9 40 75 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.873 116.5 55.7 -64.0 -30.4 -9.9 19.7 32.7 41 76 A H H X S+ 0 0 2 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.941 108.1 46.2 -64.7 -46.5 -7.6 22.7 33.1 42 77 A E H X S+ 0 0 72 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.840 111.0 53.8 -64.7 -35.0 -10.1 25.0 31.3 43 78 A N H X S+ 0 0 63 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.905 108.6 50.1 -60.4 -45.4 -12.9 23.5 33.4 44 79 A Y H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.929 113.8 43.9 -58.2 -48.5 -10.9 24.4 36.5 45 80 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.950 114.5 48.0 -68.5 -47.2 -10.4 28.0 35.3 46 81 A Q H < S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 116.8 44.7 -63.6 -30.3 -14.0 28.6 34.1 47 82 A T H < S+ 0 0 51 -4,-2.0 -1,-0.2 -5,-0.2 3,-0.2 0.851 126.7 24.5 -80.7 -37.1 -15.4 27.1 37.3 48 83 A Y H < S+ 0 0 14 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.338 111.3 64.3-121.0 7.7 -13.2 28.8 39.9 49 84 A C < + 0 0 0 -4,-1.8 -45,-0.7 -5,-0.1 -1,-0.2 -0.411 57.5 129.3-126.0 55.3 -11.9 32.0 38.2 50 85 A K S S+ 0 0 146 -3,-0.2 2,-0.3 -47,-0.1 -1,-0.1 0.428 72.5 20.6 -94.9 -4.3 -15.2 33.9 37.8 51 86 A S S S- 0 0 43 -49,-0.1 -49,-0.1 -3,-0.1 2,-0.0 -0.941 97.4 -72.1-149.5 175.2 -14.1 37.2 39.4 52 87 A K - 0 0 102 -51,-0.4 2,-0.3 -2,-0.3 130,-0.2 -0.321 53.7-133.6 -68.7 157.3 -10.9 39.1 40.2 53 88 A K - 0 0 9 128,-2.8 82,-0.2 1,-0.1 81,-0.1 -0.843 20.3-157.9-119.5 150.6 -8.9 37.6 43.1 54 89 A E S S+ 0 0 87 80,-1.9 131,-1.9 -2,-0.3 130,-1.7 0.815 83.6 35.2 -84.5 -38.9 -7.2 39.0 46.2 55 90 A V E -cd 135 185B 1 79,-2.2 81,-1.4 129,-0.2 2,-0.5 -0.959 59.3-167.3-130.2 132.3 -4.7 36.1 46.7 56 91 A L E -cd 136 186B 0 129,-2.5 131,-3.2 -2,-0.4 2,-0.5 -0.985 10.7-153.7-118.8 119.1 -2.8 33.8 44.3 57 92 A F E -cd 137 187B 0 79,-2.7 81,-2.2 -2,-0.5 2,-0.5 -0.814 19.6-161.3 -84.0 132.3 -1.0 30.7 45.6 58 93 A L E -cd 138 188B 0 129,-2.6 131,-3.2 -2,-0.5 81,-0.2 -0.967 9.5-170.6-127.3 114.7 1.8 30.0 43.2 59 94 A G E -c 139 0B 0 79,-2.4 81,-2.7 -2,-0.5 82,-0.2 -0.430 28.4-120.6 -89.3 173.9 3.6 26.6 42.9 60 95 A M S S- 0 0 33 1,-0.3 81,-2.1 129,-0.3 -1,-0.1 0.974 72.9 -43.5 -79.7 -66.8 6.8 25.9 40.9 61 96 A N S S- 0 0 18 79,-0.2 -1,-0.3 78,-0.1 83,-0.1 -0.935 72.8 -63.9-158.3 173.3 5.7 23.3 38.4 62 97 A P - 0 0 3 0, 0.0 77,-0.0 0, 0.0 81,-0.0 -0.326 39.5-134.4 -66.8 149.0 3.6 20.0 38.1 63 98 A G > > - 0 0 15 81,-0.1 5,-1.7 1,-0.0 3,-1.1 -0.690 30.5-105.9 -94.4 159.4 4.5 16.8 39.9 64 99 A P T 3 5S+ 0 0 23 0, 0.0 47,-0.1 0, 0.0 80,-0.0 0.714 115.3 33.3 -62.0 -26.8 4.3 13.6 38.0 65 100 A F T 3 5S+ 0 0 34 3,-0.1 12,-0.6 4,-0.1 46,-0.4 0.325 120.9 45.5-111.5 3.3 1.0 12.2 39.6 66 101 A G T X>5S+ 0 0 1 -3,-1.1 4,-2.2 10,-0.2 3,-2.1 0.506 124.4 3.3-110.7-108.6 -0.8 15.5 40.1 67 102 A M H 3>5S+ 0 0 6 1,-0.3 4,-2.3 2,-0.2 -30,-0.0 0.824 123.4 67.0 -56.4 -31.7 -1.1 18.3 37.6 68 103 A A H 34 S- 0 0 0 3,-0.2 3,-1.8 -6,-0.2 -2,-0.2 -0.915 77.1-101.6-111.9 134.4 -5.1 21.2 37.7 73 108 A P T 3 S+ 0 0 2 0, 0.0 3,-0.1 0, 0.0 64,-0.0 -0.288 109.3 2.2 -55.5 139.8 -2.4 22.9 40.0 74 109 A F T 3 S+ 0 0 20 1,-0.2 2,-2.2 -13,-0.1 44,-0.3 0.783 97.1 177.3 49.3 34.6 -1.4 20.7 42.9 75 110 A G < + 0 0 0 -3,-1.8 -5,-0.3 -12,-0.1 -3,-0.2 -0.299 13.1 176.0 -82.1 61.1 -3.8 18.4 41.1 76 111 A E > - 0 0 6 -2,-2.2 4,-2.4 35,-0.2 5,-0.2 -0.399 36.8-122.4 -60.6 133.8 -3.9 15.1 43.1 77 112 A V H > S+ 0 0 9 -12,-0.6 4,-2.7 32,-0.4 5,-0.3 0.854 102.5 46.7 -55.2 -50.4 -6.5 12.9 41.5 78 113 A N H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.921 115.8 43.6 -62.1 -46.9 -8.8 12.2 44.5 79 114 A H H >>S+ 0 0 36 2,-0.2 5,-2.2 1,-0.2 4,-1.8 0.858 115.3 50.1 -68.6 -33.7 -9.1 15.7 45.7 80 115 A V H <>S+ 0 0 0 -4,-2.4 6,-2.2 3,-0.2 5,-0.6 0.937 118.0 38.9 -67.2 -45.5 -9.5 17.1 42.1 81 116 A R H <5S+ 0 0 91 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.890 128.6 29.9 -69.2 -41.5 -12.3 14.5 41.4 82 117 A D H <5S+ 0 0 118 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.784 131.6 23.7 -97.6 -35.2 -14.0 14.6 44.8 83 118 A W T <5S+ 0 0 13 -4,-1.8 -3,-0.2 -5,-0.4 -4,-0.1 0.862 132.7 33.4 -99.3 -58.2 -13.6 18.1 46.2 84 119 A L T - 0 0 14 3,-0.4 3,-2.1 -2,-0.3 52,-0.1 -0.725 31.4-123.8 -75.0 133.8 8.9 7.8 29.4 98 133 A P T 3 S+ 0 0 70 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.717 110.8 49.2 -58.3 -22.1 7.7 4.2 29.9 99 134 A K T 3 S+ 0 0 147 1,-0.2 50,-0.0 0, 0.0 51,-0.0 0.476 113.5 48.0 -91.3 -5.1 7.7 4.6 33.7 100 135 A R S < S+ 0 0 69 -3,-2.1 -3,-0.4 2,-0.0 -1,-0.2 -0.400 72.7 158.8-133.0 55.8 5.7 7.9 33.5 101 136 A R - 0 0 152 -3,-0.4 2,-0.6 -5,-0.1 -9,-0.0 -0.503 44.0-116.2 -77.1 148.9 2.8 7.2 31.2 102 137 A I + 0 0 18 -2,-0.2 -33,-0.1 1,-0.1 -1,-0.1 -0.815 39.9 164.8 -92.2 118.6 -0.1 9.6 31.5 103 138 A R > - 0 0 132 -2,-0.6 3,-1.9 1,-0.3 -1,-0.1 0.360 28.3-158.8-108.3 -0.6 -3.3 7.9 32.7 104 139 A G G > S+ 0 0 1 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 -0.316 73.0 0.7 59.9-131.9 -5.2 11.1 33.7 105 140 A F G 3 S+ 0 0 22 1,-0.3 -1,-0.3 -17,-0.2 -35,-0.1 0.578 132.0 63.1 -68.3 -7.3 -8.0 10.6 36.1 106 141 A E G < + 0 0 132 -3,-1.9 -1,-0.3 -37,-0.1 -2,-0.2 0.350 69.2 125.1 -92.0 0.0 -7.1 6.8 36.1 107 142 A C < - 0 0 9 -3,-2.1 -30,-0.1 1,-0.2 -5,-0.0 -0.491 47.7-161.2 -60.6 120.3 -3.6 7.5 37.6 108 143 A P + 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.650 60.3 90.7 -82.6 -15.2 -3.6 5.3 40.7 109 144 A Q S S- 0 0 90 1,-0.0 2,-0.5 -43,-0.0 -32,-0.4 -0.535 71.5-132.4 -83.2 146.5 -0.7 7.1 42.5 110 145 A S - 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0 0 33 -5,-2.3 2,-1.2 2,-0.1 -1,-0.2 -0.811 36.8-144.7 -91.3 128.2 50.3 36.0 -3.4 453 242 B D + 0 0 158 -2,-0.5 2,-0.4 2,-0.0 -5,-0.0 -0.612 51.3 131.2 -97.5 72.5 52.5 39.0 -3.5 454 243 B V - 0 0 27 -2,-1.2 -23,-0.2 -10,-0.1 -24,-0.1 -0.979 59.3-117.3-116.8 133.5 50.4 41.4 -1.4 455 244 B T E -j 431 0D 79 -25,-1.8 -23,-2.2 -2,-0.4 2,-0.4 -0.407 25.4-156.6 -66.2 147.2 51.9 43.3 1.4 456 245 B V E +j 432 0D 12 -25,-0.2 2,-0.2 -2,-0.1 -23,-0.2 -0.997 22.9 154.4-130.4 124.4 50.6 42.6 4.9 457 246 B K E -j 433 0D 95 -25,-2.6 -23,-3.0 -2,-0.4 2,-0.3 -0.613 23.7-137.6-127.1-169.4 50.9 45.0 7.8 458 247 B G E -j 434 0D 19 -25,-0.3 2,-0.3 -2,-0.2 -23,-0.2 -0.989 9.6-153.9-151.4 162.5 49.0 45.7 11.0 459 248 B I E -j 435 0D 7 -25,-2.3 -23,-2.4 -2,-0.3 -19,-0.1 -0.900 44.1 -83.0-125.9 167.0 47.4 48.1 13.4 460 249 B M - 0 0 22 -2,-0.3 17,-0.0 -25,-0.2 20,-0.0 -0.412 47.2-117.3 -65.1 138.9 46.6 47.9 17.1 461 250 B H - 0 0 53 -26,-0.1 8,-0.1 1,-0.1 -1,-0.1 -0.616 15.4-135.1 -77.3 140.1 43.3 46.1 17.8 462 251 B P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.413 55.9 134.9 -78.2 1.2 40.7 48.4 19.5 463 252 B S > - 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