==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION, HYDROLASE 31-OCT-98 1UUG . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI K12; . AUTHOR C.D.MOL,A.S.ARVAI,C.D.PUTNAM,J.A.TAINER . 607 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 41 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 2 5 1 0 2 2 0 3 0 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 . 2 2 0 0 4 2 0 2 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 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 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 5 A L 0 0 113 0, 0.0 49,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 129.3 33.2 38.5 46.6 2 6 A T > - 0 0 47 47,-0.2 4,-1.6 46,-0.1 3,-0.4 -0.774 360.0-113.6-119.4 165.1 29.7 37.0 46.5 3 7 A W H > S+ 0 0 14 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.866 115.0 63.8 -62.7 -36.6 27.8 34.7 44.2 4 8 A H H > S+ 0 0 142 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.870 103.5 45.9 -54.5 -44.3 25.6 37.7 43.4 5 9 A D H 4 S+ 0 0 89 -3,-0.4 3,-0.4 2,-0.2 4,-0.3 0.931 118.1 39.7 -68.4 -47.3 28.4 39.6 41.8 6 10 A V H < S+ 0 0 23 -4,-1.6 3,-0.4 1,-0.2 4,-0.3 0.838 117.4 46.3 -74.9 -33.5 29.9 36.8 39.7 7 11 A L H X S+ 0 0 10 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.483 82.1 102.0 -89.7 0.6 26.7 35.2 38.5 8 12 A A T < S+ 0 0 37 -4,-0.5 4,-0.3 -3,-0.4 -1,-0.2 0.868 85.2 41.8 -49.8 -49.1 25.0 38.5 37.6 9 13 A E T >4 S+ 0 0 141 -3,-0.4 3,-1.4 -4,-0.3 4,-0.3 0.883 111.1 56.6 -68.0 -42.2 25.7 38.1 33.8 10 14 A E G >4 S+ 0 0 27 -4,-0.3 3,-1.8 1,-0.3 6,-0.3 0.869 97.6 60.5 -59.0 -39.7 24.8 34.4 33.7 11 15 A K G 3< S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.654 100.1 59.7 -64.6 -11.4 21.3 35.0 35.2 12 16 A Q G < S+ 0 0 143 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.501 78.8 113.0 -92.4 -10.9 20.6 37.2 32.1 13 17 A Q <> - 0 0 80 -3,-1.8 4,-2.3 -4,-0.3 5,-0.2 -0.453 69.4-133.1 -67.5 138.2 21.2 34.4 29.6 14 18 A P H > S+ 0 0 84 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.925 106.5 53.0 -55.0 -47.0 18.2 33.2 27.5 15 19 A Y H > S+ 0 0 62 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.892 109.5 47.2 -57.4 -44.4 19.1 29.5 28.2 16 20 A F H > S+ 0 0 3 -6,-0.3 4,-1.8 1,-0.2 3,-0.3 0.922 112.9 48.5 -64.9 -44.9 19.3 30.0 32.0 17 21 A L H X S+ 0 0 86 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.847 111.2 51.1 -65.2 -31.8 16.0 31.9 32.1 18 22 A N H X S+ 0 0 97 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.751 103.5 57.8 -77.7 -24.0 14.3 29.2 30.0 19 23 A T H X S+ 0 0 2 -4,-1.4 4,-2.0 -3,-0.3 -2,-0.2 0.941 109.2 45.7 -67.6 -46.4 15.6 26.4 32.3 20 24 A L H X S+ 0 0 59 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.884 112.6 52.9 -61.9 -37.2 13.8 28.1 35.2 21 25 A Q H X S+ 0 0 104 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.908 106.5 50.2 -65.3 -45.8 10.8 28.5 32.8 22 26 A T H X S+ 0 0 55 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 113.1 47.1 -59.7 -44.9 10.6 24.8 31.9 23 27 A V H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.952 113.3 48.1 -62.8 -48.9 10.8 23.8 35.6 24 28 A A H X S+ 0 0 37 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.900 111.4 50.2 -59.5 -43.7 8.1 26.4 36.5 25 29 A S H X S+ 0 0 57 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.871 111.2 49.5 -63.7 -36.8 5.8 25.2 33.6 26 30 A E H <>S+ 0 0 32 -4,-2.1 5,-2.3 -5,-0.2 -2,-0.2 0.903 109.1 50.7 -70.0 -40.5 6.2 21.6 34.7 27 31 A R H ><5S+ 0 0 65 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.899 110.9 50.9 -63.1 -38.7 5.4 22.3 38.4 28 32 A Q H 3<5S+ 0 0 159 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.771 103.3 57.1 -69.8 -30.6 2.2 24.2 37.2 29 33 A S T 3<5S- 0 0 91 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.250 128.3 -92.0 -85.4 12.2 0.9 21.4 35.0 30 34 A G T < 5S+ 0 0 66 -3,-1.1 2,-0.5 1,-0.3 -3,-0.2 0.541 79.1 140.1 94.5 5.6 1.0 19.0 38.0 31 35 A V < - 0 0 51 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.3 -0.734 49.3-132.5 -85.5 127.2 4.4 17.4 37.8 32 36 A T - 0 0 79 -2,-0.5 94,-2.5 94,-0.1 2,-0.4 -0.692 28.2-172.1 -79.8 128.3 6.1 17.0 41.2 33 37 A I E -A 125 0A 7 -2,-0.5 92,-0.2 92,-0.2 4,-0.1 -0.955 17.3-105.2-127.7 138.3 9.6 18.2 41.2 34 38 A Y E S+A 124 0A 43 90,-2.3 90,-1.7 -2,-0.4 35,-0.1 -0.878 86.3 29.4-113.2 149.1 12.3 17.9 43.8 35 39 A P S S- 0 0 1 0, 0.0 89,-0.1 0, 0.0 34,-0.1 0.711 96.1-100.7 -69.3 177.6 13.6 19.8 45.8 36 40 A P >> - 0 0 52 0, 0.0 3,-1.9 0, 0.0 4,-0.9 -0.340 39.6-107.9 -49.7 146.2 10.9 22.4 46.7 37 41 A Q G >4 S+ 0 0 92 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.832 116.8 59.0 -53.7 -37.4 11.5 25.6 44.7 38 42 A K G 34 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.721 109.0 45.5 -66.2 -20.1 12.6 27.5 47.8 39 43 A D G X4 S+ 0 0 12 -3,-1.9 3,-2.6 1,-0.1 4,-0.3 0.599 79.9 100.2 -98.5 -12.9 15.5 25.1 48.4 40 44 A V T << S+ 0 0 5 -4,-0.9 3,-0.3 -3,-0.6 -1,-0.1 0.789 92.5 35.4 -43.2 -39.8 16.8 24.7 44.8 41 45 A F T >> S+ 0 0 44 -4,-0.3 3,-1.2 -3,-0.2 4,-1.2 0.080 77.0 123.0-107.1 25.0 19.7 27.1 45.5 42 46 A N H <> + 0 0 5 -3,-2.6 4,-2.5 1,-0.3 5,-0.3 0.826 66.8 65.1 -56.2 -34.1 20.5 26.2 49.2 43 47 A A H 3> S+ 0 0 5 27,-1.1 4,-1.1 -3,-0.3 -1,-0.3 0.863 106.0 44.5 -57.5 -34.8 24.1 25.3 48.4 44 48 A F H <4 S+ 0 0 23 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.768 111.3 53.2 -79.6 -29.8 24.7 29.0 47.4 45 49 A R H < S+ 0 0 169 -4,-1.2 -2,-0.2 -3,-0.2 3,-0.2 0.931 114.6 39.2 -72.1 -45.6 22.8 30.3 50.5 46 50 A F H < S+ 0 0 32 -4,-2.5 2,-0.5 1,-0.2 68,-0.2 0.734 120.5 43.7 -77.7 -25.0 24.8 28.4 53.1 47 51 A T S < S- 0 0 1 -4,-1.1 -1,-0.2 -5,-0.3 2,-0.1 -0.889 74.5-156.9-129.6 103.7 28.3 28.7 51.4 48 52 A E >> - 0 0 63 -2,-0.5 3,-2.3 -3,-0.2 4,-0.8 -0.428 31.1-107.8 -76.9 149.4 29.3 32.1 50.0 49 53 A L G >4 S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 -47,-0.2 0.868 119.2 47.3 -40.4 -56.3 32.0 32.4 47.3 50 54 A G G 34 S+ 0 0 41 -49,-1.2 -1,-0.3 1,-0.2 -48,-0.1 0.586 110.0 55.0 -67.7 -11.8 34.6 33.8 49.6 51 55 A D G <4 S+ 0 0 106 -3,-2.3 -1,-0.2 64,-0.0 -2,-0.2 0.507 75.7 122.6 -97.7 -8.2 33.9 31.1 52.2 52 56 A V << + 0 0 0 -3,-1.3 63,-0.2 -4,-0.8 3,-0.1 -0.359 19.0 153.3 -60.7 124.6 34.4 28.1 49.9 53 57 A K + 0 0 30 61,-3.3 103,-2.0 1,-0.5 2,-0.4 0.637 67.4 21.4-117.5 -41.5 37.1 25.8 51.3 54 58 A V E -cd 115 156B 0 60,-2.1 62,-2.9 101,-0.2 2,-0.5 -0.988 62.5-157.5-134.2 140.7 36.1 22.4 49.9 55 59 A V E -cd 116 157B 1 101,-2.3 103,-2.8 -2,-0.4 2,-0.5 -0.984 6.6-173.2-120.2 127.4 33.9 21.5 46.9 56 60 A I E -cd 117 158B 0 60,-2.2 62,-1.3 -2,-0.5 2,-0.4 -0.995 17.9-143.2-121.0 121.7 32.2 18.1 46.7 57 61 A L E +c 118 0B 7 101,-1.2 103,-0.4 -2,-0.5 62,-0.2 -0.754 19.8 179.9 -91.9 130.7 30.4 17.4 43.4 58 62 A G E -c 119 0B 6 60,-3.1 62,-1.4 -2,-0.4 14,-0.1 -0.566 23.5-132.3-115.5 179.0 27.1 15.5 43.2 59 63 A Q - 0 0 24 1,-0.4 62,-2.6 60,-0.2 61,-0.4 0.782 65.5 -29.3 -99.3 -87.4 24.9 14.5 40.2 60 64 A D S S- 0 0 22 182,-0.3 -1,-0.4 60,-0.2 62,-0.1 -0.841 73.1 -80.2-132.0 167.8 21.2 15.3 40.6 61 65 A P - 0 0 6 0, 0.0 69,-0.3 0, 0.0 -1,-0.1 -0.236 53.1 -90.6 -66.7 159.0 18.7 15.5 43.5 62 66 A Y - 0 0 24 1,-0.1 6,-0.3 67,-0.1 62,-0.1 -0.398 32.0-146.8 -63.0 144.9 17.1 12.4 45.2 63 67 A H + 0 0 20 63,-0.1 64,-2.5 -3,-0.1 -1,-0.1 0.176 64.6 95.9-104.5 15.9 13.8 11.6 43.5 64 68 A G S >> S- 0 0 13 176,-0.2 3,-1.4 62,-0.2 4,-0.5 -0.764 86.0 -87.2-103.7 154.6 11.9 10.3 46.5 65 69 A P T 34 S+ 0 0 103 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.351 107.5 4.7 -62.9 129.1 9.5 12.3 48.8 66 70 A G T 34 S+ 0 0 35 2,-0.1 10,-0.5 -2,-0.1 13,-0.1 0.478 104.8 100.2 79.5 4.5 11.1 14.2 51.6 67 71 A Q T <4 + 0 0 18 -3,-1.4 9,-1.2 8,-0.1 12,-0.1 0.973 65.2 54.5 -84.6 -70.6 14.7 13.4 50.7 68 72 A A < + 0 0 8 -4,-0.5 -2,-0.1 -6,-0.3 7,-0.1 -0.328 43.3 169.6 -72.0 150.2 16.4 16.2 48.9 69 73 A H - 0 0 4 2,-0.4 -1,-0.1 5,-0.4 3,-0.1 0.048 68.4 -74.6-148.8 28.3 16.7 19.8 50.2 70 74 A G S S+ 0 0 15 1,-0.3 -27,-1.1 4,-0.1 2,-0.3 0.531 101.0 96.7 92.9 5.9 19.2 21.6 47.9 71 75 A L S S- 0 0 4 3,-0.2 -2,-0.4 -29,-0.1 -1,-0.3 -0.924 79.1-102.7-124.6 149.6 22.6 20.2 49.0 72 76 A A S S- 0 0 0 45,-1.4 2,-1.7 -2,-0.3 3,-0.1 -0.525 98.0 -7.7 -72.5 141.0 24.5 17.3 47.4 73 77 A F S S+ 0 0 18 -2,-0.2 -1,-0.2 1,-0.1 12,-0.2 -0.035 103.8 117.9 68.3 -35.2 24.3 13.9 49.3 74 78 A S - 0 0 0 -2,-1.7 -5,-0.4 43,-0.1 2,-0.3 -0.283 42.8-168.2 -66.3 146.8 22.4 15.4 52.3 75 79 A V - 0 0 0 30,-1.7 -7,-0.2 -7,-0.1 -8,-0.1 -0.929 30.6 -93.0-130.5 154.9 18.9 14.3 53.3 76 80 A R > - 0 0 70 -9,-1.2 3,-1.5 -10,-0.5 29,-0.4 -0.195 53.7 -83.2 -63.0 158.4 16.5 15.9 55.8 77 81 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.392 117.8 32.2 -58.8 139.3 16.3 14.7 59.5 78 82 A G T 3 S+ 0 0 82 1,-0.4 2,-0.3 -3,-0.1 -2,-0.1 0.374 92.7 114.3 93.0 -8.0 14.2 11.6 59.9 79 83 A I S < S- 0 0 46 -3,-1.5 26,-0.4 -12,-0.1 -1,-0.4 -0.773 76.4-102.6 -96.1 142.5 15.1 10.3 56.5 80 84 A A - 0 0 64 -2,-0.3 -1,-0.1 1,-0.1 24,-0.1 -0.391 41.7-102.2 -63.3 142.5 17.1 7.0 56.2 81 85 A I - 0 0 35 1,-0.1 -1,-0.1 -2,-0.1 -7,-0.1 -0.550 40.6-126.1 -70.2 117.2 20.7 7.5 55.4 82 86 A P > - 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.193 23.3-105.0 -63.6 157.7 21.2 6.7 51.7 83 87 A P H > S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.884 117.0 47.9 -52.2 -49.8 23.9 4.1 50.6 84 88 A S H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.910 113.9 46.6 -61.5 -43.3 26.5 6.5 49.3 85 89 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 109.3 55.5 -67.1 -34.8 26.3 8.8 52.4 86 90 A L H X S+ 0 0 40 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.897 108.4 48.1 -63.4 -40.1 26.5 5.7 54.6 87 91 A N H X S+ 0 0 14 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.870 108.0 54.5 -68.6 -36.0 29.7 4.7 52.9 88 92 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.939 108.1 50.4 -61.9 -43.3 31.1 8.3 53.3 89 93 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.865 107.3 53.6 -60.6 -41.3 30.3 8.0 57.1 90 94 A K H X S+ 0 0 77 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.922 107.1 50.5 -61.4 -42.6 32.2 4.7 57.2 91 95 A E H < S+ 0 0 2 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.918 111.8 49.6 -61.0 -41.5 35.3 6.3 55.6 92 96 A L H >X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-0.9 0.848 104.7 58.7 -66.0 -34.7 35.0 9.0 58.3 93 97 A E H 3< S+ 0 0 64 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.8 37.0 -65.8 -37.0 34.7 6.5 61.1 94 98 A N T 3< S+ 0 0 123 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.181 121.6 41.8-104.8 21.5 38.0 4.8 60.4 95 99 A T T <4 S+ 0 0 32 -3,-0.9 -2,-0.2 1,-0.2 -3,-0.2 0.516 104.4 62.4-132.2 -21.4 40.1 7.9 59.4 96 100 A I S >< S- 0 0 38 -4,-1.8 3,-1.9 -5,-0.2 -1,-0.2 -0.931 81.3-124.1-118.8 120.1 39.1 10.6 61.9 97 101 A P T 3 S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.322 93.8 12.5 -65.0 133.1 39.7 10.2 65.6 98 102 A G T 3 S+ 0 0 81 1,-0.3 2,-0.2 -5,-0.1 -5,-0.1 0.379 90.2 137.1 85.3 -5.4 36.6 10.6 67.8 99 103 A F < - 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