==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (HYDROLASE/INHIBITOR) 18-JUN-98 1EUI . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.RAVISHANKAR,M.B.SAGAR,S.ROY,K.PURNAPATRE,P.HANDA, . 581 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 11.4 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 . 2 0.3 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 . 58 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 3 0 0 2 0 0 2 0 2 0 2 2 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 . 4 0 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 6 A T 0 0 94 0, 0.0 5,-0.0 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 75.2 1.0 11.5 48.3 2 7 A W + 0 0 25 1,-0.1 41,-0.0 45,-0.1 141,-0.0 0.527 360.0 79.3 73.2 -1.7 1.5 12.4 52.0 3 8 A H S S+ 0 0 168 3,-0.1 -1,-0.1 4,-0.0 3,-0.1 -0.507 95.6 49.1-120.7 40.7 2.2 8.7 52.1 4 9 A D S > S+ 0 0 33 3,-0.0 2,-3.1 0, 0.0 4,-0.8 0.041 112.1 37.8-138.7 -86.0 5.5 10.0 50.8 5 10 A V T 4 S+ 0 0 6 1,-0.2 138,-0.1 2,-0.1 137,-0.0 -0.469 130.0 36.9 -75.9 73.2 6.7 12.9 53.0 6 11 A L T > S+ 0 0 5 -2,-3.1 4,-2.5 -3,-0.1 -1,-0.2 -0.101 92.0 81.4 176.7 -47.6 5.3 11.0 55.9 7 12 A A T 4 S+ 0 0 63 -3,-0.3 -2,-0.1 1,-0.2 -4,-0.0 0.853 116.4 11.9 -48.7 -49.9 6.0 7.3 55.4 8 13 A E T >X S+ 0 0 119 -4,-0.8 3,-1.4 2,-0.1 4,-1.3 0.757 124.8 59.7-101.3 -27.1 9.6 7.4 56.6 9 14 A E G >4 S+ 0 0 16 -5,-0.4 3,-1.1 1,-0.3 6,-0.4 0.970 102.0 57.2 -62.4 -45.5 9.7 10.8 58.2 10 15 A K G 3< S+ 0 0 100 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.1 0.481 110.0 45.0 -64.1 -2.0 7.0 9.7 60.5 11 16 A Q G <4 S+ 0 0 146 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.592 89.0 106.6-111.2 -21.9 9.3 6.9 61.6 12 17 A Q S XX S- 0 0 82 -4,-1.3 4,-2.5 -3,-1.1 3,-0.8 -0.325 77.8-122.0 -60.2 136.1 12.4 9.0 62.0 13 18 A P H 3> S+ 0 0 82 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.862 105.9 60.0 -46.1 -52.7 13.5 9.7 65.6 14 19 A Y H 3> S+ 0 0 51 1,-0.2 4,-1.5 2,-0.2 125,-0.1 0.859 116.2 32.7 -48.4 -43.9 13.5 13.5 65.3 15 20 A F H <> S+ 0 0 3 -3,-0.8 4,-1.3 -6,-0.4 -1,-0.2 0.793 114.6 59.3 -86.3 -29.8 9.7 13.5 64.5 16 21 A L H X S+ 0 0 81 -4,-2.5 4,-1.4 -7,-0.2 -2,-0.2 0.928 111.2 42.7 -62.5 -43.2 9.0 10.5 66.6 17 22 A N H X S+ 0 0 96 -4,-3.3 4,-2.6 1,-0.2 5,-0.3 0.911 105.9 60.6 -69.7 -45.4 10.3 12.4 69.6 18 23 A T H X S+ 0 0 1 -4,-1.5 4,-0.7 -5,-0.3 -1,-0.2 0.803 105.9 51.8 -51.7 -33.0 8.6 15.7 68.8 19 24 A L H X S+ 0 0 47 -4,-1.3 4,-2.6 -3,-0.2 3,-0.3 0.957 112.5 40.3 -71.3 -52.2 5.3 13.9 69.0 20 25 A Q H X S+ 0 0 130 -4,-1.4 4,-3.3 2,-0.2 5,-0.3 0.845 109.5 57.8 -68.0 -35.0 5.7 12.3 72.4 21 26 A T H X S+ 0 0 63 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.821 112.7 44.0 -64.5 -28.2 7.3 15.3 74.0 22 27 A V H X S+ 0 0 0 -4,-0.7 4,-2.5 -3,-0.3 -2,-0.2 0.921 112.0 52.3 -78.6 -46.2 4.1 17.1 73.0 23 28 A A H X S+ 0 0 48 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.918 110.8 47.3 -55.8 -49.5 1.9 14.2 74.2 24 29 A S H X S+ 0 0 64 -4,-3.3 4,-3.5 1,-0.2 5,-0.3 0.959 108.2 54.1 -58.2 -54.4 3.5 14.1 77.6 25 30 A E H X>S+ 0 0 29 -4,-1.5 5,-1.4 -5,-0.3 4,-0.8 0.925 108.8 52.8 -46.6 -45.9 3.3 17.8 78.1 26 31 A R H ><5S+ 0 0 58 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.961 118.5 31.2 -54.6 -64.1 -0.4 17.4 77.3 27 32 A Q H 3<5S+ 0 0 173 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.730 108.6 72.8 -67.6 -22.6 -1.2 14.7 79.9 28 33 A S H 3<5S- 0 0 91 -4,-3.5 -1,-0.3 -5,-0.3 -2,-0.2 0.670 126.2 -91.2 -66.4 -18.3 1.5 16.2 82.2 29 34 A G T <<5S+ 0 0 64 -3,-1.5 2,-0.3 -4,-0.8 -3,-0.2 0.047 90.4 115.8 132.1 -29.2 -0.9 19.0 82.9 30 35 A V < - 0 0 47 -5,-1.4 2,-0.8 -6,-0.2 -1,-0.4 -0.544 61.3-132.6 -79.1 135.3 -0.1 21.7 80.3 31 36 A T - 0 0 86 -2,-0.3 94,-1.8 -3,-0.1 2,-0.3 -0.804 25.7-167.5 -86.6 107.7 -2.8 22.6 77.8 32 37 A I B -A 124 0A 6 -2,-0.8 92,-0.2 92,-0.2 4,-0.1 -0.760 19.8-120.9 -91.7 152.8 -1.0 22.6 74.4 33 38 A Y S S+ 0 0 46 90,-3.3 -1,-0.1 -2,-0.3 3,-0.1 0.957 82.8 55.4 -71.6 -97.9 -3.0 24.1 71.5 34 39 A P S S- 0 0 3 0, 0.0 5,-0.3 0, 0.0 34,-0.1 -0.148 95.9-113.4 -39.1 100.5 -4.1 22.6 68.2 35 40 A P >> - 0 0 59 0, 0.0 3,-3.6 0, 0.0 4,-1.3 -0.135 26.0-107.8 -40.7 134.2 -6.0 19.7 69.8 36 41 A Q T 34 S+ 0 0 78 1,-0.3 4,-0.3 2,-0.2 -3,-0.0 0.671 123.3 61.3 -45.4 -15.1 -4.1 16.5 68.8 37 42 A K T 34 S+ 0 0 77 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.792 110.8 37.5 -79.3 -30.6 -7.2 15.9 66.6 38 43 A D T X4 S+ 0 0 25 -3,-3.6 3,-2.2 1,-0.1 4,-0.2 0.586 85.4 100.0 -93.9 -20.0 -6.5 19.1 64.6 39 44 A V T 3< S+ 0 0 4 -4,-1.3 3,-0.3 -5,-0.3 -1,-0.1 0.775 90.4 38.1 -37.8 -42.1 -2.7 19.1 64.5 40 45 A F T >> S+ 0 0 48 -4,-0.3 3,-0.9 -3,-0.2 4,-0.6 0.251 75.7 118.6-103.0 16.6 -2.6 17.7 60.9 41 46 A N H X> + 0 0 8 -3,-2.2 4,-2.6 1,-0.2 3,-1.1 0.769 66.6 66.8 -49.3 -39.6 -5.6 19.5 59.2 42 47 A A H 3> S+ 0 0 5 27,-0.6 4,-1.2 -3,-0.3 -1,-0.2 0.936 104.8 43.0 -51.1 -48.6 -3.4 21.2 56.6 43 48 A F H <4 S+ 0 0 27 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.545 114.4 54.1 -74.6 -12.4 -2.5 17.9 55.0 44 49 A R H << S+ 0 0 158 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.896 108.1 43.0 -86.3 -53.1 -6.1 16.8 55.3 45 50 A F H < S+ 0 0 27 -4,-2.6 2,-0.4 1,-0.2 68,-0.3 0.702 125.6 33.1 -68.0 -24.2 -8.0 19.7 53.6 46 51 A T S < S- 0 0 4 -4,-1.2 -1,-0.2 -5,-0.3 2,-0.1 -0.970 77.2-148.2-138.9 123.1 -5.4 19.8 50.8 47 52 A E >> - 0 0 62 -2,-0.4 3,-1.3 -3,-0.1 4,-1.1 -0.464 31.5-104.0 -85.6 163.3 -3.5 16.8 49.3 48 53 A L G >4 S+ 0 0 11 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.901 120.2 48.3 -52.1 -49.7 0.0 16.8 47.9 49 54 A G G 34 S+ 0 0 48 1,-0.2 -1,-0.3 102,-0.0 -3,-0.0 0.677 109.4 52.7 -67.8 -17.8 -1.2 16.7 44.3 50 55 A D G <4 S+ 0 0 94 -3,-1.3 2,-0.6 64,-0.0 -1,-0.2 0.594 71.7 125.8 -93.8 -12.9 -3.7 19.5 44.7 51 56 A V << + 0 0 0 -4,-1.1 63,-0.2 -3,-0.9 3,-0.1 -0.274 21.2 156.5 -52.5 97.3 -1.3 22.0 46.2 52 57 A K + 0 0 33 61,-2.0 103,-1.8 -2,-0.6 2,-0.3 0.852 67.7 18.1 -90.1 -43.4 -1.8 24.9 43.8 53 58 A V E -cd 114 155B 0 60,-1.5 62,-3.0 101,-0.2 2,-0.5 -0.956 67.7-151.4-129.6 148.7 -0.6 27.7 46.2 54 59 A V E -cd 115 156B 0 101,-3.3 103,-2.3 -2,-0.3 2,-0.6 -0.942 8.9-173.5-127.5 110.9 1.5 27.6 49.4 55 60 A I E -cd 116 157B 0 60,-2.6 62,-1.3 -2,-0.5 2,-0.4 -0.911 14.4-149.1-105.8 123.1 1.2 30.1 52.2 56 61 A L E +c 117 0B 4 101,-1.0 103,-0.4 -2,-0.6 2,-0.3 -0.736 18.4 176.3 -92.5 133.0 3.7 29.8 55.1 57 62 A G E -c 118 0B 5 60,-3.2 62,-2.1 -2,-0.4 63,-0.2 -0.837 25.9-125.5-129.0 165.5 2.8 30.8 58.7 58 63 A Q - 0 0 18 -2,-0.3 62,-2.0 60,-0.3 61,-0.8 0.876 64.4 -30.6 -79.2-104.6 4.7 30.6 61.9 59 64 A D S S- 0 0 19 391,-0.2 -1,-0.3 60,-0.2 391,-0.2 -0.864 75.0 -80.6-118.1 159.8 3.2 28.8 65.0 60 65 A P - 0 0 9 0, 0.0 69,-0.3 0, 0.0 2,-0.2 0.087 51.8 -86.4 -57.6 163.1 -0.4 28.4 66.0 61 66 A Y - 0 0 25 1,-0.1 6,-0.3 67,-0.1 62,-0.1 -0.535 35.2-155.1 -67.7 135.1 -2.6 30.9 67.8 62 67 A H + 0 0 26 -2,-0.2 64,-2.4 -3,-0.1 -1,-0.1 0.252 62.9 89.9 -99.3 6.7 -2.0 30.5 71.6 63 68 A G S > S- 0 0 12 385,-0.2 3,-1.0 62,-0.2 4,-0.5 -0.635 91.2 -74.6 -97.0 167.1 -5.3 31.8 72.8 64 69 A P T 3 S- 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.378 105.3 -5.4 -66.4 130.7 -8.5 29.6 73.4 65 70 A G T 3 S+ 0 0 38 -2,-0.2 10,-0.5 2,-0.1 13,-0.2 0.579 102.8 104.7 66.3 12.1 -10.5 28.4 70.5 66 71 A Q < + 0 0 18 -3,-1.0 9,-0.5 8,-0.1 12,-0.1 0.948 64.6 56.7 -84.4 -71.5 -8.6 30.2 67.8 67 72 A A + 0 0 9 -4,-0.5 7,-0.1 -6,-0.3 -2,-0.1 -0.242 44.8 167.5 -67.1 146.9 -6.3 27.7 66.0 68 73 A H S S- 0 0 1 5,-0.4 -1,-0.1 2,-0.4 3,-0.1 0.058 70.6 -73.5-144.6 21.3 -7.7 24.6 64.3 69 74 A G S S+ 0 0 9 1,-0.3 -27,-0.6 4,-0.1 2,-0.4 0.072 102.9 98.9 109.5 -26.2 -4.8 23.3 62.2 70 75 A L S S- 0 0 5 3,-0.2 -2,-0.4 -29,-0.1 -1,-0.3 -0.789 78.1-110.8 -98.5 142.3 -4.7 25.8 59.4 71 76 A A S S- 0 0 0 45,-1.7 2,-2.4 -2,-0.4 35,-0.1 -0.397 96.5 -3.4 -66.6 143.8 -2.2 28.7 59.4 72 77 A F S S+ 0 0 17 1,-0.1 -1,-0.2 -2,-0.1 12,-0.1 -0.137 103.9 115.2 70.3 -45.3 -3.9 32.1 59.8 73 78 A S - 0 0 0 -2,-2.4 -5,-0.4 33,-0.1 32,-0.2 -0.286 46.0-167.0 -60.1 134.8 -7.5 30.7 59.9 74 79 A V - 0 0 0 30,-2.2 32,-0.2 -7,-0.1 -7,-0.1 -0.597 33.0 -81.6-111.9 175.3 -9.5 31.0 63.1 75 80 A R > - 0 0 87 -10,-0.5 3,-1.3 -9,-0.5 29,-0.5 -0.391 56.1 -83.3 -78.5 163.2 -12.7 29.1 64.0 76 81 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 29,-0.0 0.308 123.3 24.8 -46.6 3.3 -16.3 30.3 62.9 77 82 A G T 3 S+ 0 0 70 -2,-0.5 3,-0.1 -11,-0.1 -11,-0.1 0.466 88.7 113.1-147.2 -9.7 -16.7 32.9 65.6 78 83 A I S < S- 0 0 50 -3,-1.3 26,-0.5 -13,-0.2 -4,-0.1 -0.327 78.6 -88.7 -68.1 150.6 -13.4 34.1 66.9 79 84 A A - 0 0 62 1,-0.1 -1,-0.1 24,-0.1 -4,-0.1 -0.366 46.7-105.4 -61.5 137.2 -12.3 37.6 66.3 80 85 A I - 0 0 28 -3,-0.1 -1,-0.1 1,-0.1 -7,-0.1 -0.553 42.4-122.8 -67.9 119.7 -10.4 38.1 63.0 81 86 A P > - 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 -0.214 22.4-103.5 -62.6 151.9 -6.7 38.5 63.9 82 87 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.880 119.5 43.3 -44.8 -49.3 -4.7 41.6 62.8 83 88 A S H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.869 115.4 46.8 -70.7 -36.1 -2.9 39.8 60.0 84 89 A L H > S+ 0 0 0 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.893 111.2 54.0 -70.5 -35.5 -5.9 38.0 58.6 85 90 A L H X S+ 0 0 17 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.881 111.1 46.1 -62.6 -39.3 -7.8 41.2 58.9 86 91 A N H X S+ 0 0 4 -4,-1.9 4,-2.3 -5,-0.3 5,-0.3 0.936 104.7 57.9 -69.6 -46.0 -5.1 42.8 56.8 87 92 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.868 107.3 53.1 -50.8 -35.3 -5.0 40.0 54.2 88 93 A Y H X S+ 0 0 0 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.933 103.3 54.1 -67.6 -45.1 -8.6 40.9 53.8 89 94 A K H X S+ 0 0 61 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.946 110.8 46.6 -53.3 -49.9 -7.8 44.6 53.2 90 95 A E H >X S+ 0 0 9 -4,-2.3 4,-3.5 1,-0.2 3,-0.6 0.929 114.9 48.5 -57.5 -46.3 -5.5 43.6 50.4 91 96 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.966 107.3 50.3 -62.2 -55.3 -8.1 41.3 49.0 92 97 A E H 3< S+ 0 0 78 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.669 121.2 40.1 -60.5 -11.0 -11.1 43.6 49.0 93 98 A N H << S+ 0 0 131 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.808 120.7 38.7-101.0 -45.5 -8.8 46.0 47.2 94 99 A T H < S+ 0 0 19 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.928 113.2 51.9 -75.6 -48.9 -6.9 43.7 44.8 95 100 A I >< - 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