==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 26-JAN-11 3QI5 . COMPND 2 MOLECULE: DNA-3-METHYLADENINE GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.M.LINGARAJU,C.A.DAVIS,J.W.SETSER,L.D.SAMSON,C.L.DRENNAN . 416 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 41 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 3 0 0 3 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 4 3 3 2 0 0 2 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 0 0 0 0 0 2 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 80 A G 0 0 124 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 176.6 11.5 21.9 -64.2 2 81 A P - 0 0 99 0, 0.0 2,-0.9 0, 0.0 0, 0.0 -0.355 360.0-100.1 -73.5 155.2 15.1 20.7 -63.8 3 82 A H - 0 0 170 -2,-0.1 2,-0.6 1,-0.0 0, 0.0 -0.710 48.1-157.9 -72.9 108.6 16.3 17.3 -64.9 4 83 A M + 0 0 104 -2,-0.9 2,-0.1 158,-0.0 158,-0.0 -0.843 17.4 174.0-103.3 116.1 16.4 15.7 -61.5 5 84 A T - 0 0 78 -2,-0.6 2,-0.3 158,-0.1 158,-0.1 -0.264 25.4-120.8 -95.3-171.2 18.6 12.6 -60.9 6 85 A R - 0 0 75 156,-0.1 2,-0.3 -2,-0.1 156,-0.2 -0.987 25.8-104.3-134.2 148.3 19.3 10.8 -57.6 7 86 A L - 0 0 6 154,-3.4 154,-0.3 -2,-0.3 2,-0.1 -0.563 47.9-172.0 -71.8 127.7 22.5 10.2 -55.8 8 87 A G >> - 0 0 16 -2,-0.3 4,-1.5 147,-0.0 3,-1.4 -0.127 43.1 -57.1-107.2-158.6 23.6 6.5 -56.3 9 88 A L H 3> S+ 0 0 85 1,-0.3 4,-2.2 2,-0.2 -2,-0.1 0.788 124.3 66.2 -55.8 -34.0 26.2 4.0 -55.1 10 89 A E H 34 S+ 0 0 167 1,-0.2 -1,-0.3 2,-0.2 -3,-0.1 0.839 106.8 41.9 -56.7 -36.5 29.1 6.3 -56.2 11 90 A F H <4 S+ 0 0 24 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.904 116.7 44.9 -78.6 -45.7 28.0 8.8 -53.5 12 91 A F H < S+ 0 0 0 -4,-1.5 2,-1.9 1,-0.2 82,-0.5 0.730 92.6 86.2 -73.6 -23.5 27.3 6.4 -50.6 13 92 A D < + 0 0 71 -4,-2.2 -1,-0.2 -5,-0.2 80,-0.1 -0.478 69.0 92.5 -85.6 69.9 30.4 4.3 -51.2 14 93 A Q S S- 0 0 56 -2,-1.9 80,-1.9 81,-0.0 5,-0.1 -0.968 85.3 -72.1-150.4 157.5 32.9 6.3 -49.1 15 94 A P B > -a 94 0A 62 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.058 51.0-104.7 -51.1 154.3 34.1 6.1 -45.4 16 95 A A H > S+ 0 0 5 78,-0.6 4,-3.1 1,-0.2 5,-0.2 0.861 116.8 49.6 -49.3 -51.0 31.7 7.2 -42.7 17 96 A V H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.955 113.8 43.8 -58.5 -57.2 33.4 10.6 -42.0 18 97 A P H > S+ 0 0 48 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.905 116.4 49.2 -53.4 -42.5 33.6 11.7 -45.6 19 98 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.931 107.9 52.3 -64.1 -47.3 30.0 10.5 -46.2 20 99 A A H < S+ 0 0 0 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.883 114.8 43.6 -54.7 -41.5 28.7 12.3 -43.1 21 100 A R H >< S+ 0 0 96 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.886 111.3 53.6 -69.5 -41.3 30.3 15.6 -44.4 22 101 A A H 3< S+ 0 0 27 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.757 98.0 65.5 -67.8 -27.8 29.1 15.0 -48.0 23 102 A F T >< S+ 0 0 0 -4,-2.0 3,-2.0 -5,-0.1 19,-0.3 0.778 77.2 104.8 -62.1 -31.1 25.5 14.6 -46.8 24 103 A L T < S+ 0 0 3 -3,-0.9 19,-0.2 -4,-0.5 3,-0.1 -0.356 89.5 13.7 -60.6 124.5 25.5 18.3 -45.7 25 104 A G T 3 S+ 0 0 2 17,-3.2 141,-0.3 1,-0.4 -1,-0.3 0.140 97.3 124.9 95.0 -18.4 23.5 20.3 -48.2 26 105 A Q < - 0 0 2 -3,-2.0 16,-2.9 16,-0.2 2,-0.6 -0.397 60.8-122.5 -74.4 153.6 22.0 17.3 -49.9 27 106 A V E -BC 41 162B 3 135,-2.2 135,-2.4 14,-0.2 2,-0.4 -0.874 15.2-152.4-108.2 114.3 18.2 17.1 -50.2 28 107 A L E -BC 40 161B 0 12,-2.7 12,-1.8 -2,-0.6 2,-0.4 -0.707 16.5-161.5 -82.2 129.6 16.3 14.1 -48.8 29 108 A V E -BC 39 160B 0 131,-3.2 131,-2.4 -2,-0.4 2,-0.4 -0.945 11.4-175.0-120.3 134.4 13.1 13.3 -50.6 30 109 A R E -BC 38 159B 20 8,-2.4 8,-3.2 -2,-0.4 2,-0.6 -0.994 9.2-158.8-126.7 128.4 10.1 11.3 -49.4 31 110 A R E -B 37 0B 73 127,-2.8 6,-0.2 -2,-0.4 5,-0.1 -0.945 16.1-148.5-106.8 121.9 7.0 10.4 -51.5 32 111 A L > - 0 0 17 4,-2.9 3,-1.8 -2,-0.6 111,-0.0 -0.371 28.6-104.6 -82.6 162.1 4.0 9.5 -49.5 33 112 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.741 119.9 58.8 -55.5 -26.4 1.2 7.0 -50.6 34 113 A N T 3 S- 0 0 98 2,-0.1 3,-0.1 1,-0.0 211,-0.1 0.486 122.4-102.8 -84.6 -4.3 -1.1 10.0 -51.3 35 114 A G S < S+ 0 0 24 -3,-1.8 2,-0.2 1,-0.3 209,-0.1 0.257 75.4 139.9 102.0 -10.2 1.3 11.6 -53.9 36 115 A T - 0 0 46 -5,-0.1 -4,-2.9 207,-0.1 2,-0.5 -0.490 40.8-149.0 -70.3 128.9 2.7 14.3 -51.6 37 116 A E E -B 31 0B 46 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.871 8.2-160.5-101.3 132.4 6.4 14.9 -51.9 38 117 A L E -B 30 0B 0 -8,-3.2 -8,-2.4 -2,-0.5 2,-0.4 -0.931 7.5-169.7-113.0 135.4 8.4 16.0 -48.8 39 118 A R E +BD 29 109B 36 70,-1.9 69,-3.0 -2,-0.4 70,-1.6 -0.981 10.3 168.8-129.7 139.5 11.8 17.7 -49.1 40 119 A G E -BD 28 107B 0 -12,-1.8 -12,-2.7 -2,-0.4 2,-0.5 -0.978 27.6-133.4-148.9 134.4 14.4 18.6 -46.5 41 120 A R E -BD 27 106B 58 65,-2.8 65,-3.0 -2,-0.3 2,-0.3 -0.776 29.8-120.7 -91.4 125.1 18.0 19.7 -46.8 42 121 A I E + D 0 105B 0 -16,-2.9 -17,-3.2 -2,-0.5 63,-0.2 -0.471 42.2 159.1 -70.8 124.8 20.5 17.9 -44.5 43 122 A V E + 0 0 4 61,-2.1 150,-2.0 -2,-0.3 2,-0.3 0.476 62.1 41.0-121.3 -10.7 22.3 20.2 -42.1 44 123 A E E +ED 192 104B 0 60,-1.2 59,-2.7 148,-0.2 60,-1.4 -0.973 59.9 161.4-147.4 128.5 23.5 17.8 -39.4 45 124 A T E -ED 191 102B 0 146,-2.6 146,-2.5 -2,-0.3 2,-0.3 -0.889 21.6-145.6-136.7 167.4 25.0 14.3 -39.4 46 125 A E E -ED 190 101B 0 55,-1.8 55,-2.3 -2,-0.3 2,-0.4 -0.999 12.6-140.1-136.9 137.6 26.9 11.8 -37.3 47 126 A A E - D 0 100B 0 142,-2.7 2,-0.5 -2,-0.3 53,-0.2 -0.821 7.9-164.7 -97.3 131.7 29.5 9.2 -38.3 48 127 A Y E - D 0 99B 26 51,-2.8 51,-1.8 -2,-0.4 -32,-0.1 -0.972 8.3-162.4-116.3 116.0 29.6 5.8 -36.6 49 128 A L - 0 0 43 -2,-0.5 49,-0.2 49,-0.2 -33,-0.1 0.661 28.8-119.1 -83.9 -23.0 33.0 4.2 -37.4 50 129 A G > + 0 0 0 47,-0.2 3,-0.7 1,-0.1 6,-0.3 -0.948 69.3 2.1 127.8-144.8 32.6 0.5 -36.8 51 130 A P T 3 S+ 0 0 39 0, 0.0 9,-3.4 0, 0.0 -1,-0.1 0.739 130.4 46.2 -57.5 -32.6 34.1 -2.2 -34.4 52 131 A E T 3 S+ 0 0 106 7,-0.2 2,-0.8 8,-0.1 132,-0.1 0.762 90.0 95.2 -81.4 -27.8 36.5 0.3 -32.7 53 132 A D X - 0 0 0 -3,-0.7 3,-0.9 1,-0.2 -3,-0.1 -0.549 59.7-164.9 -70.6 105.5 33.7 2.8 -32.2 54 133 A E T 3 S+ 0 0 121 -2,-0.8 -1,-0.2 1,-0.2 5,-0.1 0.578 85.7 55.2 -71.8 -10.3 32.4 2.1 -28.6 55 134 A A T 3 S+ 0 0 23 129,-0.1 -1,-0.2 -5,-0.1 2,-0.1 0.662 90.7 90.7 -92.3 -21.2 29.3 4.2 -29.3 56 135 A A S X S- 0 0 1 -3,-0.9 3,-1.6 -6,-0.3 42,-0.0 -0.435 81.2-125.7 -79.7 150.8 28.2 2.4 -32.4 57 136 A H T 3 S+ 0 0 38 1,-0.3 10,-0.1 -2,-0.1 -1,-0.1 0.618 111.8 61.2 -66.1 -12.5 25.8 -0.7 -32.4 58 137 A S T > S+ 0 0 0 39,-0.3 3,-2.1 -8,-0.1 -1,-0.3 0.172 74.4 148.0-100.2 14.9 28.6 -2.4 -34.4 59 138 A R G X S+ 0 0 76 -3,-1.6 3,-1.5 1,-0.3 -7,-0.2 -0.231 74.1 7.5 -53.6 134.5 31.1 -2.1 -31.6 60 139 A G G 3 S- 0 0 50 -9,-3.4 -1,-0.3 1,-0.3 -8,-0.1 0.644 131.0 -69.7 64.1 16.5 33.6 -5.0 -31.5 61 140 A G G < S+ 0 0 35 -3,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.672 81.3 170.5 75.6 18.8 32.1 -6.3 -34.7 62 141 A R < - 0 0 140 -3,-1.5 2,-0.5 -4,-0.2 -1,-0.2 -0.469 13.7-169.8 -64.9 121.1 28.8 -7.2 -33.0 63 142 A Q + 0 0 110 -2,-0.3 -5,-0.1 -5,-0.0 5,-0.1 -0.955 11.9 171.0-118.6 113.7 26.1 -8.2 -35.6 64 143 A T - 0 0 62 -2,-0.5 4,-0.4 -7,-0.1 -7,-0.0 -0.652 50.6 -97.2-114.4 168.2 22.6 -8.5 -34.2 65 144 A P S S+ 0 0 129 0, 0.0 3,-0.3 0, 0.0 -1,-0.0 0.783 122.3 49.3 -55.0 -27.5 19.1 -9.0 -35.8 66 145 A R S S+ 0 0 113 1,-0.2 3,-0.5 2,-0.1 13,-0.1 0.921 109.0 45.2 -77.5 -48.7 18.6 -5.2 -35.4 67 146 A N S > S+ 0 0 0 1,-0.2 3,-1.9 -10,-0.1 4,-0.4 0.196 70.5 117.4 -91.3 16.9 21.8 -3.7 -36.8 68 147 A R G > + 0 0 145 -4,-0.4 3,-1.6 -3,-0.3 4,-0.3 0.785 66.2 68.7 -57.8 -31.6 22.2 -5.7 -40.1 69 148 A G G > S+ 0 0 0 -3,-0.5 3,-1.1 1,-0.3 -1,-0.3 0.811 91.7 61.6 -53.6 -33.3 21.8 -2.6 -42.2 70 149 A M G < S+ 0 0 5 -3,-1.9 27,-0.5 1,-0.2 28,-0.3 0.700 106.6 44.7 -67.1 -22.5 25.2 -1.4 -40.9 71 150 A F G < S+ 0 0 47 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.281 98.9 91.7-107.1 6.3 26.8 -4.5 -42.5 72 151 A M S < S- 0 0 62 -3,-1.1 4,-0.2 -4,-0.3 3,-0.1 -0.569 92.6 -61.5 -98.0 167.0 25.0 -4.3 -45.8 73 152 A K > - 0 0 114 -2,-0.2 3,-2.0 1,-0.1 19,-0.2 0.024 68.9 -81.8 -50.5 147.3 26.2 -2.4 -48.9 74 153 A P T 3 S+ 0 0 23 0, 0.0 19,-0.2 0, 0.0 -61,-0.2 -0.258 119.5 38.3 -51.9 132.3 26.8 1.4 -48.8 75 154 A G T 3 S+ 0 0 0 17,-2.4 78,-2.7 1,-0.4 2,-0.2 0.158 82.7 133.0 107.6 -15.4 23.4 3.2 -49.2 76 155 A T B < -I 152 0C 1 -3,-2.0 16,-3.0 76,-0.2 -1,-0.4 -0.490 56.1-123.1 -72.7 134.3 21.4 0.7 -47.2 77 156 A L E -F 91 0B 0 74,-3.5 73,-3.0 14,-0.2 2,-0.6 -0.597 18.1-163.9 -79.7 134.5 19.1 2.2 -44.6 78 157 A Y E +F 90 0B 1 12,-2.8 12,-2.8 -2,-0.3 2,-0.5 -0.943 16.2 174.0-115.6 105.0 19.4 1.3 -40.9 79 158 A V E +F 89 0B 1 -2,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.961 6.1 169.7-115.2 119.5 16.2 2.3 -39.2 80 159 A Y E -F 88 0B 32 8,-1.4 8,-1.8 -2,-0.5 2,-0.5 -0.913 35.0-111.8-130.5 157.4 15.8 1.4 -35.5 81 160 A I E -F 87 0B 78 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.761 32.1-168.7 -90.1 125.1 13.4 2.1 -32.6 82 161 A I E >> +F 86 0B 48 4,-3.4 4,-2.2 -2,-0.5 3,-1.4 -0.911 69.0 3.3-115.9 143.3 15.0 4.1 -29.7 83 162 A Y T 34 S- 0 0 198 -2,-0.4 -1,-0.2 1,-0.3 4,-0.1 0.690 118.9 -79.8 53.5 22.9 13.4 4.7 -26.3 84 163 A G T 34 S+ 0 0 73 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.365 128.4 47.0 77.6 -2.6 10.5 2.4 -27.4 85 164 A M T <4 S+ 0 0 108 -3,-1.4 2,-0.3 1,-0.1 -2,-0.2 0.402 93.3 75.4-149.7 -6.2 8.8 5.2 -29.5 86 165 A Y E < -F 82 0B 69 -4,-2.2 -4,-3.4 59,-0.0 2,-0.3 -0.878 60.0-139.4-122.1 152.6 11.3 7.0 -31.7 87 166 A F E -F 81 0B 50 -2,-0.3 2,-0.4 49,-0.3 52,-0.3 -0.834 5.2-159.7-110.9 146.0 13.1 6.2 -34.9 88 167 A C E -F 80 0B 6 -8,-1.8 -8,-1.4 -2,-0.3 2,-0.7 -0.996 11.9-148.3-122.9 127.7 16.7 6.9 -36.0 89 168 A M E +F 79 0B 0 -2,-0.4 13,-2.2 13,-0.4 2,-0.3 -0.851 22.1 175.1-100.6 110.8 17.5 6.9 -39.7 90 169 A N E -FG 78 101B 7 -12,-2.8 -12,-2.8 -2,-0.7 2,-0.5 -0.814 19.3-148.7-110.6 154.0 21.1 5.7 -40.6 91 170 A I E -FG 77 100B 0 9,-2.2 9,-2.2 -2,-0.3 -14,-0.2 -0.990 23.1-121.4-123.8 124.6 22.7 5.1 -43.9 92 171 A S E - 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