==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-03 1OKB . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GADUS MORHUA; . AUTHOR I.LEIROS,E.MOE,O.LANES,A.O.SMALAS,N.P.WILLASSEN . 446 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.2 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 . 2 0.4 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 . 28 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 2 0 4 0 0 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 . 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 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 82 A M 0 0 156 0, 0.0 3,-0.4 0, 0.0 41,-0.0 0.000 360.0 360.0 360.0 -37.3 14.7 34.4 32.4 2 83 A E + 0 0 167 1,-0.2 4,-0.1 3,-0.0 40,-0.0 0.586 360.0 72.1 -92.4 -14.2 18.0 35.5 34.1 3 84 A F S S+ 0 0 60 2,-0.1 2,-0.4 38,-0.0 42,-0.3 -0.145 80.5 89.9 -92.8 36.8 19.2 31.9 34.3 4 85 A F S S- 0 0 11 -3,-0.4 5,-0.1 44,-0.1 42,-0.1 -0.944 85.8-111.8-138.2 112.0 19.8 31.8 30.6 5 86 A G > - 0 0 7 40,-0.4 4,-2.8 -2,-0.4 5,-0.2 -0.080 23.6-129.4 -43.7 133.8 23.2 32.7 29.1 6 87 A E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.862 104.2 48.5 -56.4 -46.6 23.0 35.9 27.0 7 88 A T H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 115.9 45.7 -63.9 -39.3 24.8 34.7 23.9 8 89 A W H > S+ 0 0 0 40,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.917 110.2 53.2 -67.2 -44.9 22.6 31.6 23.9 9 90 A R H < S+ 0 0 89 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.889 111.7 47.1 -57.2 -41.6 19.4 33.6 24.5 10 91 A R H >< S+ 0 0 138 -4,-2.1 3,-0.8 -5,-0.2 4,-0.2 0.941 115.1 43.0 -67.4 -49.3 20.2 35.8 21.6 11 92 A E H 3< S+ 0 0 62 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.788 120.7 41.3 -70.1 -27.8 21.0 33.1 19.1 12 93 A L T >X S+ 0 0 6 -4,-2.5 3,-1.7 -5,-0.2 4,-0.7 0.322 80.7 112.8-101.0 6.4 18.1 30.9 20.1 13 94 A A G X4 + 0 0 47 -3,-0.8 3,-0.7 -4,-0.3 4,-0.5 0.809 65.9 65.7 -47.0 -41.0 15.6 33.8 20.4 14 95 A A G >4 S+ 0 0 52 -3,-0.3 3,-0.9 -4,-0.2 4,-0.3 0.825 95.3 59.1 -55.0 -33.9 13.6 32.6 17.4 15 96 A E G X4 S+ 0 0 21 -3,-1.7 3,-1.8 1,-0.2 6,-0.3 0.870 90.6 68.9 -65.4 -37.7 12.5 29.5 19.3 16 97 A F G << S+ 0 0 69 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.688 102.0 44.9 -58.3 -21.3 10.9 31.4 22.2 17 98 A E G < S+ 0 0 164 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.458 88.5 109.2-102.2 -2.0 8.0 32.7 20.0 18 99 A K S X> S- 0 0 82 -3,-1.8 4,-1.9 -4,-0.3 3,-0.7 -0.486 76.1-120.9 -77.3 144.3 7.2 29.4 18.2 19 100 A P H 3> S+ 0 0 111 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.832 110.6 55.1 -50.5 -40.4 4.0 27.6 19.1 20 101 A Y H 3> S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.880 108.1 49.4 -65.8 -35.3 5.7 24.4 20.2 21 102 A F H <> S+ 0 0 13 -3,-0.7 4,-2.7 -6,-0.3 -1,-0.2 0.912 109.2 51.2 -69.7 -42.1 7.8 26.3 22.7 22 103 A K H X S+ 0 0 163 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.915 113.0 45.9 -59.4 -44.4 4.8 28.1 24.1 23 104 A Q H X S+ 0 0 121 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.857 111.2 52.9 -67.8 -36.6 3.0 24.7 24.6 24 105 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.928 109.8 47.8 -64.1 -45.5 6.2 23.2 26.1 25 106 A M H X S+ 0 0 63 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.896 111.6 50.8 -62.7 -40.1 6.4 26.0 28.6 26 107 A S H X S+ 0 0 55 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.910 111.8 48.1 -63.3 -43.3 2.7 25.6 29.5 27 108 A F H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.947 112.7 46.0 -62.2 -52.8 3.2 21.9 30.0 28 109 A V H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.878 111.4 52.8 -60.7 -38.9 6.2 22.1 32.2 29 110 A A H X S+ 0 0 60 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.919 110.2 48.7 -62.5 -42.9 4.6 24.9 34.3 30 111 A D H X S+ 0 0 68 -4,-2.0 4,-1.3 1,-0.2 3,-0.4 0.917 111.2 50.3 -61.1 -45.5 1.6 22.6 34.8 31 112 A E H X S+ 0 0 11 -4,-2.5 4,-3.5 1,-0.2 3,-0.3 0.896 107.6 52.8 -61.3 -42.5 3.9 19.7 35.8 32 113 A R H < S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.751 109.4 49.4 -67.6 -23.8 5.8 21.8 38.3 33 114 A S H < S+ 0 0 92 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.748 122.0 33.1 -85.6 -23.5 2.5 22.8 40.0 34 115 A R H < S+ 0 0 181 -4,-1.3 2,-0.2 -3,-0.3 -2,-0.2 0.756 127.2 13.3-101.0 -31.9 1.2 19.3 40.2 35 116 A H S < S- 0 0 78 -4,-3.5 2,-0.6 -5,-0.2 -1,-0.1 -0.714 84.4 -86.0-133.9-176.0 4.4 17.2 40.7 36 117 A T - 0 0 82 -2,-0.2 94,-2.9 94,-0.1 2,-0.4 -0.871 46.8-166.2 -96.6 125.4 8.1 17.5 41.5 37 118 A V E -A 129 0A 8 -2,-0.6 92,-0.2 92,-0.2 4,-0.1 -0.948 15.5-106.9-119.8 135.5 10.1 18.2 38.4 38 119 A Y E S+A 128 0A 39 90,-2.9 90,-1.8 -2,-0.4 35,-0.1 -0.868 86.7 28.1-114.6 146.0 13.8 17.9 37.9 39 120 A P S S- 0 0 1 0, 0.0 34,-0.1 0, 0.0 5,-0.1 0.670 97.4-101.5 -82.7 178.5 16.0 19.8 37.6 40 121 A P >> - 0 0 51 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.236 37.1-106.6 -57.1 154.4 14.8 22.8 39.5 41 122 A A G >4 S+ 0 0 47 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.862 118.7 56.3 -50.5 -42.5 13.5 25.6 37.2 42 123 A D G 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 3,-0.0 0.528 110.2 45.1 -72.1 -4.4 16.6 27.8 37.8 43 124 A Q G X4 S+ 0 0 47 -3,-2.2 3,-1.9 1,-0.1 4,-0.2 0.425 80.0 98.4-116.3 -1.7 19.0 25.0 36.6 44 125 A V T << S+ 0 0 6 -3,-1.0 3,-0.2 -4,-0.7 -2,-0.1 0.808 96.0 34.4 -56.1 -32.4 17.1 23.8 33.5 45 126 A Y T > S+ 0 0 20 -4,-0.3 3,-2.8 -42,-0.3 -40,-0.4 -0.009 74.7 127.8-113.9 29.8 19.4 25.9 31.3 46 127 A S G X> + 0 0 9 -3,-1.9 3,-1.9 1,-0.3 4,-0.8 0.829 67.7 68.5 -52.9 -33.1 22.7 25.6 33.3 47 128 A W G 34 S+ 0 0 4 27,-0.7 -1,-0.3 1,-0.3 4,-0.3 0.624 96.0 54.0 -62.9 -13.9 24.3 24.5 30.1 48 129 A T G <4 S+ 0 0 2 -3,-2.8 -40,-0.3 -45,-0.2 -1,-0.3 0.506 105.8 53.7 -96.9 -6.4 23.9 28.1 28.8 49 130 A E T <4 S+ 0 0 90 -3,-1.9 -2,-0.2 -4,-0.4 -1,-0.1 0.592 92.2 68.3-103.0 -13.5 25.6 29.6 31.8 50 131 A M S < S- 0 0 50 -4,-0.8 2,-0.3 1,-0.2 -2,-0.1 0.745 115.1 -12.1 -79.4 -25.8 28.9 27.7 31.8 51 132 A C S S- 0 0 20 -4,-0.3 -1,-0.2 66,-0.1 2,-0.1 -0.978 78.9 -83.2-166.1 164.8 30.3 29.2 28.6 52 133 A D > - 0 0 76 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.406 37.0-120.2 -74.9 154.5 29.3 31.3 25.5 53 134 A I G > S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.814 114.4 57.7 -64.8 -28.8 27.7 29.6 22.5 54 135 A Q G 3 S+ 0 0 70 1,-0.2 -1,-0.3 102,-0.0 -2,-0.0 0.669 103.1 55.0 -74.4 -17.1 30.6 30.8 20.4 55 136 A D G < S+ 0 0 90 -3,-1.2 2,-0.3 64,-0.0 -1,-0.2 0.358 73.3 124.5 -99.3 5.6 33.1 29.0 22.7 56 137 A V < + 0 0 0 -3,-0.9 63,-0.2 -4,-0.2 62,-0.1 -0.510 25.3 165.9 -67.2 127.2 31.5 25.5 22.5 57 138 A K + 0 0 48 61,-3.1 103,-2.5 1,-0.4 2,-0.4 0.707 62.4 27.1-111.2 -37.7 34.2 23.1 21.3 58 139 A V E -cd 119 160B 0 60,-1.9 62,-3.1 101,-0.2 2,-0.4 -0.969 63.1-157.3-131.6 146.0 32.7 19.7 22.1 59 140 A V E -cd 120 161B 0 101,-2.8 103,-3.1 -2,-0.4 2,-0.5 -0.989 6.3-174.3-127.1 128.6 29.1 18.5 22.4 60 141 A I E -cd 121 162B 1 60,-2.8 62,-1.5 -2,-0.4 2,-0.4 -0.988 16.0-146.8-121.5 126.1 27.9 15.5 24.3 61 142 A L E -c 122 0B 0 101,-1.1 103,-0.4 -2,-0.5 62,-0.2 -0.760 16.0-178.2 -97.9 139.6 24.2 14.4 24.0 62 143 A G E -c 123 0B 0 60,-2.4 62,-1.4 -2,-0.4 14,-0.1 -0.640 25.7-124.6-119.5-179.6 22.2 12.9 26.8 63 144 A Q S S- 0 0 48 1,-0.4 62,-2.7 60,-0.2 61,-1.0 0.758 70.4 -32.7 -92.9-100.4 18.6 11.6 26.9 64 145 A D S S- 0 0 24 60,-0.2 -1,-0.4 59,-0.2 62,-0.2 -0.732 80.7 -74.2-117.4 172.3 16.5 13.2 29.7 65 146 A P - 0 0 3 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 -0.277 53.9 -92.0 -67.2 152.9 17.6 14.3 33.2 66 147 A Y - 0 0 47 12,-0.2 6,-0.5 1,-0.1 5,-0.1 -0.379 37.6-147.2 -56.8 140.4 18.4 11.9 36.0 67 148 A H + 0 0 71 4,-0.1 64,-2.5 -3,-0.1 65,-0.1 0.297 59.6 102.0-100.8 10.4 15.1 11.5 37.8 68 149 A G S >> S- 0 0 9 62,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.617 84.4 -82.0 -95.8 155.2 16.3 11.1 41.4 69 150 A P T 34 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.218 111.2 0.4 -52.5 135.1 16.3 13.7 44.2 70 151 A N T 34 S+ 0 0 105 2,-0.1 10,-0.5 1,-0.1 13,-0.2 0.568 107.1 102.0 62.3 12.9 19.4 16.0 44.0 71 152 A Q T <4 + 0 0 47 -3,-1.9 9,-1.7 8,-0.2 -4,-0.1 0.949 62.1 58.9 -88.8 -70.1 20.8 14.4 40.9 72 153 A A < + 0 0 7 -4,-0.5 7,-0.1 -6,-0.5 -2,-0.1 -0.302 44.7 163.1 -64.2 141.9 20.1 16.5 37.8 73 154 A H S S- 0 0 12 2,-0.4 -1,-0.1 5,-0.3 3,-0.1 0.048 70.5 -75.4-148.0 28.2 21.3 20.1 37.6 74 155 A G S S+ 0 0 10 1,-0.2 -27,-0.7 4,-0.1 2,-0.4 0.400 102.8 96.5 96.0 -4.1 21.1 21.0 33.9 75 156 A L S > S- 0 0 4 3,-0.2 3,-1.1 -29,-0.1 -2,-0.4 -0.977 77.5-111.6-121.0 131.9 24.2 19.2 32.5 76 157 A C T 3 S+ 0 0 0 45,-2.0 3,-0.1 -2,-0.4 35,-0.1 -0.319 97.2 3.1 -62.9 142.5 23.8 15.8 30.8 77 158 A F T 3 S+ 0 0 13 1,-0.2 -1,-0.2 33,-0.0 2,-0.2 0.230 105.8 116.9 68.0 -11.8 25.4 12.9 32.7 78 159 A S < - 0 0 0 -3,-1.1 2,-0.4 43,-0.1 -5,-0.3 -0.556 46.2-162.6 -89.7 148.6 26.4 15.2 35.6 79 160 A V - 0 0 0 30,-2.4 30,-0.2 -2,-0.2 -7,-0.2 -0.982 26.7-104.3-130.6 144.6 25.2 14.9 39.2 80 161 A Q > - 0 0 51 -9,-1.7 3,-1.8 -10,-0.5 29,-0.1 -0.349 59.8 -67.1 -64.1 141.7 25.3 17.5 42.0 81 162 A K T 3 S+ 0 0 88 1,-0.3 -1,-0.1 27,-0.1 27,-0.1 -0.427 116.7 18.3 -67.2 146.5 27.9 17.0 44.7 82 163 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 285,-0.2 -0.915 94.0 111.5 -98.7 21.9 28.1 15.0 46.7 83 164 A V S < S- 0 0 25 -3,-1.8 26,-0.8 -13,-0.2 -4,-0.1 -0.191 72.8-110.9 -51.0 136.3 25.8 12.6 44.8 84 165 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 24,-0.1 -0.423 37.6 -90.0 -74.3 146.9 27.7 9.6 43.5 85 166 A P - 0 0 17 0, 0.0 159,-0.1 0, 0.0 -7,-0.1 -0.291 45.7-123.3 -55.4 127.4 28.3 9.1 39.7 86 167 A P > - 0 0 13 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.224 36.5 -88.5 -67.0 167.2 25.4 7.1 38.2 87 168 A P H > S+ 0 0 82 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.836 127.6 50.9 -45.4 -43.9 26.3 3.9 36.3 88 169 A S H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.917 111.3 47.1 -63.7 -43.5 26.8 5.7 33.0 89 170 A L H > S+ 0 0 0 -3,-0.5 4,-2.9 1,-0.2 5,-0.3 0.853 104.7 61.5 -66.9 -34.0 29.1 8.2 34.5 90 171 A V H X S+ 0 0 41 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.925 108.7 43.5 -57.7 -42.1 31.0 5.4 36.2 91 172 A N H X S+ 0 0 13 -4,-1.6 4,-2.4 97,-0.2 -1,-0.2 0.831 109.6 55.3 -73.5 -31.7 31.8 4.0 32.7 92 173 A I H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.940 111.5 45.0 -63.6 -45.8 32.6 7.5 31.3 93 174 A Y H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.876 109.9 56.1 -63.1 -38.9 35.2 7.9 34.1 94 175 A K H X S+ 0 0 103 -4,-1.9 4,-1.0 -5,-0.3 -2,-0.2 0.930 109.3 45.3 -59.7 -46.2 36.4 4.3 33.4 95 176 A E H >X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 3,-0.6 0.918 111.9 52.3 -64.6 -42.4 37.1 5.2 29.8 96 177 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 7,-0.3 0.890 102.1 60.6 -60.0 -40.1 38.8 8.5 30.8 97 178 A C H 3< S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 117.2 30.1 -58.9 -31.8 41.0 6.6 33.2 98 179 A T H << S+ 0 0 92 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.700 123.9 47.5-100.0 -22.8 42.5 4.6 30.3 99 180 A D H < S+ 0 0 15 -4,-2.5 2,-0.6 -5,-0.2 -3,-0.2 0.874 106.4 54.5 -86.6 -40.5 42.1 7.1 27.6 100 181 A I S >< S- 0 0 16 -4,-2.8 3,-2.0 -5,-0.2 -1,-0.2 -0.858 82.8-127.9-104.4 119.7 43.5 10.3 29.2 101 182 A D T 3 S+ 0 0 152 -2,-0.6 3,-0.1 1,-0.3 -3,-0.1 -0.382 94.7 11.7 -62.5 131.0 47.0 10.2 30.7 102 183 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 -5,-0.2 2,-0.2 0.432 88.6 147.1 82.5 -2.2 47.0 11.5 34.2 103 184 A F < - 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