==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 25-OCT-11 3UBY . COMPND 2 MOLECULE: DNA-3-METHYLADENINE GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.W.SETSER,G.M.LINGARAJU,C.A.DAVIS,L.D.SAMSON,C.L.DRENNAN . 382 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 25.7 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 . 1 0.3 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 . 31 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 4 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 4 1 5 3 2 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 . 1 0 0 0 0 0 1 1 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 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 174.8 12.5 -16.7 -0.7 2 81 A P - 0 0 106 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.317 360.0 -92.3 -73.9 158.4 8.8 -15.7 -0.5 3 82 A H - 0 0 172 -2,-0.0 2,-0.5 1,-0.0 0, 0.0 -0.621 50.7-162.2 -68.4 121.6 7.4 -12.4 -1.6 4 83 A M + 0 0 96 -2,-0.5 2,-0.4 -3,-0.1 155,-0.0 -0.947 16.8 172.1-118.7 127.4 7.5 -10.3 1.6 5 84 A T - 0 0 98 -2,-0.5 155,-0.9 155,-0.1 2,-0.2 -0.978 30.0-117.6-130.4 144.7 5.6 -7.1 2.2 6 85 A R B -A 159 0A 70 -2,-0.4 2,-0.3 153,-0.2 153,-0.2 -0.508 27.2-110.9 -82.7 148.5 5.2 -5.1 5.5 7 86 A L - 0 0 19 151,-2.6 151,-0.4 -2,-0.2 2,-0.1 -0.636 49.6-179.5 -73.4 132.1 2.0 -4.5 7.3 8 87 A G >> - 0 0 17 -2,-0.3 3,-1.8 149,-0.1 4,-1.6 -0.329 42.5 -47.7-122.5-158.9 1.1 -0.8 7.0 9 88 A L H 3> S+ 0 0 89 1,-0.3 4,-2.5 2,-0.2 -2,-0.1 0.818 125.2 60.2 -47.7 -44.0 -1.4 1.9 7.9 10 89 A E H 34 S+ 0 0 164 1,-0.2 -1,-0.3 2,-0.2 -3,-0.1 0.840 107.8 45.5 -54.4 -37.2 -4.4 -0.2 6.9 11 90 A F H <4 S+ 0 0 16 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.910 116.1 44.4 -74.1 -42.2 -3.5 -2.9 9.4 12 91 A F H < S+ 0 0 0 -4,-1.6 2,-2.0 1,-0.2 82,-0.6 0.780 93.3 84.7 -75.9 -26.1 -2.8 -0.5 12.3 13 92 A D < + 0 0 73 -4,-2.5 -1,-0.2 -5,-0.2 80,-0.1 -0.411 69.4 94.7 -83.2 63.9 -5.9 1.6 11.6 14 93 A Q S S- 0 0 50 -2,-2.0 80,-2.0 -3,-0.1 5,-0.1 -0.956 84.9 -77.7-140.5 159.6 -8.5 -0.4 13.6 15 94 A P > - 0 0 64 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.077 50.2-102.2 -56.8 162.8 -9.8 -0.1 17.2 16 95 A A H > S+ 0 0 6 78,-0.5 4,-2.8 2,-0.2 5,-0.2 0.836 115.4 50.5 -61.9 -43.3 -7.6 -1.4 20.0 17 96 A V H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.990 114.9 42.2 -59.4 -60.1 -9.4 -4.7 20.7 18 97 A P H > S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 -2,-0.2 0.864 116.3 50.7 -57.3 -34.3 -9.4 -5.9 17.1 19 98 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.950 107.7 51.2 -66.8 -48.7 -5.8 -4.6 16.6 20 99 A A H < S+ 0 0 0 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.830 115.3 44.4 -53.3 -36.3 -4.5 -6.4 19.8 21 100 A R H >< S+ 0 0 89 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.2 0.892 110.3 53.9 -74.7 -42.4 -6.1 -9.6 18.4 22 101 A A H 3< S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.778 98.3 64.4 -66.3 -31.2 -4.8 -9.1 14.8 23 102 A F T >< S+ 0 0 0 -4,-2.2 3,-2.5 -5,-0.1 19,-0.3 0.793 77.4 104.7 -59.6 -34.1 -1.2 -8.7 16.0 24 103 A L T < S+ 0 0 3 -3,-0.9 19,-0.2 -4,-0.5 3,-0.1 -0.323 90.1 13.9 -57.6 123.1 -1.2 -12.3 17.2 25 104 A G T 3 S+ 0 0 0 17,-2.8 138,-0.5 1,-0.4 -1,-0.3 0.211 97.9 122.3 95.8 -14.8 0.7 -14.5 14.8 26 105 A Q < - 0 0 4 -3,-2.5 16,-3.0 16,-0.1 2,-0.6 -0.477 62.8-121.7 -78.9 153.9 2.3 -11.5 13.0 27 106 A V E -BC 41 159A 14 132,-2.3 132,-2.6 14,-0.2 2,-0.5 -0.869 14.5-150.9-108.8 118.6 6.1 -11.3 12.9 28 107 A L E -BC 40 158A 0 12,-3.0 12,-2.3 -2,-0.6 2,-0.4 -0.729 17.9-161.8 -85.9 127.9 7.9 -8.4 14.4 29 108 A V E -BC 39 157A 0 128,-3.2 128,-2.3 -2,-0.5 2,-0.4 -0.942 10.2-171.1-118.4 132.5 11.3 -7.7 12.6 30 109 A R E -BC 38 156A 17 8,-3.0 8,-3.3 -2,-0.4 2,-0.6 -0.979 7.0-160.5-119.7 134.7 14.3 -5.7 13.8 31 110 A R E -B 37 0A 110 124,-2.9 6,-0.2 -2,-0.4 5,-0.1 -0.956 15.4-148.3-114.3 113.9 17.3 -4.7 11.7 32 111 A L > - 0 0 14 4,-2.6 3,-2.2 -2,-0.6 108,-0.0 -0.302 28.9-106.4 -73.5 159.9 20.3 -3.8 13.8 33 112 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.747 121.9 58.6 -59.1 -24.9 22.9 -1.2 12.5 34 113 A N T 3 S- 0 0 113 2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.456 123.0-106.2 -82.9 -2.9 25.3 -4.1 11.9 35 114 A G S < S+ 0 0 48 -3,-2.2 2,-0.2 1,-0.3 -1,-0.0 0.242 71.4 142.7 97.9 -13.1 22.7 -5.7 9.5 36 115 A T - 0 0 48 -5,-0.1 -4,-2.6 1,-0.1 2,-0.5 -0.437 41.1-144.4 -62.4 126.4 21.6 -8.5 11.8 37 116 A E E -B 31 0A 48 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.2 -0.846 12.0-165.2 -98.1 125.6 17.8 -9.3 11.4 38 117 A L E -B 30 0A 0 -8,-3.3 -8,-3.0 -2,-0.5 2,-0.4 -0.925 7.2-171.9-108.1 131.1 15.9 -10.3 14.5 39 118 A R E +BD 29 109A 42 70,-1.7 69,-3.0 -2,-0.5 70,-1.8 -0.979 9.4 172.8-126.9 138.3 12.4 -11.8 14.2 40 119 A G E -BD 28 107A 0 -12,-2.3 -12,-3.0 -2,-0.4 2,-0.5 -0.977 26.7-134.1-143.5 130.5 9.8 -12.7 16.8 41 120 A R E -BD 27 106A 25 65,-2.9 65,-3.3 -2,-0.3 2,-0.3 -0.721 30.9-118.2 -83.7 126.0 6.3 -13.9 16.3 42 121 A I E + D 0 105A 0 -16,-3.0 -17,-2.8 -2,-0.5 63,-0.2 -0.473 42.5 161.5 -69.1 126.8 3.8 -12.0 18.5 43 122 A V E + 0 0 0 61,-2.6 149,-1.8 1,-0.3 2,-0.3 0.401 62.0 37.7-123.2 -3.7 2.0 -14.4 20.9 44 123 A E E +ED 191 104A 0 60,-1.1 59,-2.6 147,-0.2 60,-1.5 -0.949 59.8 160.0-157.3 131.1 0.7 -12.0 23.6 45 124 A T E -ED 190 102A 0 145,-2.8 145,-2.7 -2,-0.3 2,-0.3 -0.913 21.0-145.4-143.4 165.6 -0.8 -8.4 23.5 46 125 A E E -ED 189 101A 0 55,-1.8 55,-2.1 -2,-0.3 2,-0.4 -1.000 12.5-137.0-137.8 140.4 -3.0 -6.0 25.6 47 126 A A E - D 0 100A 0 141,-3.0 2,-0.5 -2,-0.3 53,-0.2 -0.793 8.5-164.8 -93.9 135.9 -5.5 -3.4 24.6 48 127 A Y E - D 0 99A 34 51,-2.6 51,-1.9 -2,-0.4 -32,-0.1 -0.992 12.5-158.2-116.3 118.5 -5.5 0.0 26.3 49 128 A L - 0 0 63 -2,-0.5 49,-0.2 1,-0.2 -33,-0.2 0.695 28.4-112.1 -84.3 -22.7 -8.8 1.6 25.4 50 129 A G S > S- 0 0 2 47,-0.2 3,-2.5 1,-0.1 6,-0.3 -0.861 70.8 -8.9 123.5-161.8 -8.5 5.3 25.8 51 130 A P T 3 S+ 0 0 42 0, 0.0 9,-3.1 0, 0.0 -1,-0.1 0.731 130.9 52.1 -43.8 -39.2 -9.9 8.0 28.2 52 131 A E T 3 S+ 0 0 162 7,-0.2 2,-0.9 -3,-0.1 7,-0.1 0.725 87.1 96.1 -72.2 -23.0 -12.4 5.6 29.8 53 132 A D X - 0 0 0 -3,-2.5 3,-1.1 1,-0.2 6,-0.1 -0.590 59.5-162.9 -77.7 103.7 -9.7 3.0 30.6 54 133 A E T 3 S+ 0 0 113 -2,-0.9 -1,-0.2 126,-0.3 5,-0.1 0.757 90.1 50.8 -59.3 -26.1 -8.6 3.6 34.2 55 134 A A T 3 S+ 0 0 24 125,-0.2 -1,-0.3 123,-0.1 2,-0.1 0.729 91.3 97.6 -82.0 -23.7 -5.4 1.5 33.6 56 135 A A S X S- 0 0 0 -3,-1.1 3,-2.0 -6,-0.3 42,-0.0 -0.382 77.7-130.1 -72.7 143.7 -4.3 3.4 30.4 57 136 A H T 3 S+ 0 0 33 1,-0.3 -1,-0.1 -2,-0.1 10,-0.1 0.741 111.7 61.1 -55.7 -24.0 -1.8 6.3 30.4 58 137 A S T > S+ 0 0 0 39,-0.3 3,-1.9 3,-0.1 4,-0.4 0.215 74.8 149.5 -92.1 12.4 -4.5 8.1 28.5 59 138 A R G X S+ 0 0 108 -3,-2.0 3,-1.2 1,-0.3 -7,-0.2 -0.187 72.5 8.4 -47.3 132.3 -7.1 7.9 31.3 60 139 A G G 3 S- 0 0 71 -9,-3.1 -1,-0.3 1,-0.2 3,-0.1 0.658 129.6 -69.7 66.9 18.9 -9.5 10.9 31.2 61 140 A G G < S+ 0 0 30 -3,-1.9 2,-0.5 1,-0.2 -1,-0.2 0.726 83.2 169.5 71.0 23.7 -8.1 12.1 27.9 62 141 A R < - 0 0 124 -3,-1.2 2,-0.5 -4,-0.4 -1,-0.2 -0.559 14.7-170.9 -75.5 115.3 -4.8 13.0 29.6 63 142 A Q + 0 0 131 -2,-0.5 5,-0.1 -3,-0.1 -5,-0.1 -0.956 11.4 170.3-109.9 121.7 -2.1 13.9 27.1 64 143 A T - 0 0 46 -2,-0.5 4,-0.3 1,-0.1 -7,-0.0 -0.778 48.9 -96.9-123.0 168.6 1.4 14.3 28.6 65 144 A P S > S+ 0 0 118 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.926 121.8 47.6 -49.2 -52.2 4.9 14.7 27.0 66 145 A R G > S+ 0 0 112 1,-0.2 3,-0.5 2,-0.1 13,-0.1 0.892 110.6 49.2 -55.3 -48.1 5.7 11.0 27.5 67 146 A N G > + 0 0 1 1,-0.2 3,-1.7 2,-0.1 4,-0.4 0.212 68.4 118.0 -91.1 18.1 2.4 9.6 26.0 68 147 A R G X + 0 0 143 -3,-1.0 3,-2.0 -4,-0.3 4,-0.2 0.840 68.1 66.5 -46.0 -43.5 2.3 11.6 22.8 69 148 A G G X S+ 0 0 0 -3,-0.5 3,-1.2 1,-0.3 -1,-0.3 0.785 91.0 61.5 -51.4 -34.9 2.5 8.3 20.7 70 149 A M G < S+ 0 0 3 -3,-1.7 28,-0.3 1,-0.3 27,-0.3 0.626 108.5 43.1 -71.0 -15.1 -0.9 7.1 22.0 71 150 A F G < S+ 0 0 47 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.238 99.2 94.3-114.5 6.6 -2.6 10.1 20.4 72 151 A M S < S- 0 0 66 -3,-1.2 4,-0.2 -4,-0.2 3,-0.1 -0.470 92.9 -58.7 -94.9 169.3 -0.6 10.0 17.1 73 152 A K S > S- 0 0 130 -2,-0.2 3,-2.1 1,-0.1 19,-0.2 -0.100 71.5 -86.3 -50.2 141.5 -1.6 8.3 13.8 74 153 A P T 3 S+ 0 0 23 0, 0.0 19,-0.2 0, 0.0 -61,-0.2 -0.219 118.2 37.7 -53.2 136.8 -2.3 4.5 14.1 75 154 A G T 3 S+ 0 0 0 17,-2.7 75,-2.7 1,-0.4 2,-0.2 0.161 83.2 131.9 102.6 -16.5 1.0 2.5 13.8 76 155 A T B < -I 149 0B 2 -3,-2.1 16,-2.9 73,-0.2 -1,-0.4 -0.528 59.0-120.9 -70.0 133.4 3.0 5.1 15.7 77 156 A L E -F 91 0A 1 71,-3.5 70,-2.6 68,-0.3 2,-0.5 -0.528 20.0-163.9 -76.2 138.5 5.2 3.5 18.4 78 157 A Y E +F 90 0A 2 12,-2.5 12,-2.6 -2,-0.2 2,-0.5 -0.928 17.5 171.4-119.8 102.9 4.7 4.5 22.0 79 158 A V E +F 89 0A 1 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.961 6.2 173.5-115.7 121.0 7.8 3.3 23.9 80 159 A Y E -F 88 0A 30 8,-1.6 8,-1.9 -2,-0.5 2,-0.5 -0.867 33.4-111.6-126.7 161.9 8.2 4.5 27.5 81 160 A I E -F 87 0A 76 -2,-0.3 2,-0.3 6,-0.2 6,-0.3 -0.829 33.4-169.5 -96.0 123.4 10.6 3.8 30.4 82 161 A I E >> +F 86 0A 44 4,-3.3 4,-2.2 -2,-0.5 3,-0.8 -0.874 67.9 4.0-115.1 145.6 9.0 1.9 33.3 83 162 A Y T 34 S- 0 0 201 -2,-0.3 2,-0.6 1,-0.3 -1,-0.2 0.794 121.0 -77.8 47.8 31.4 10.5 1.3 36.8 84 163 A G T 34 S+ 0 0 70 -3,-0.2 -1,-0.3 1,-0.2 -3,-0.0 -0.052 127.7 41.4 82.7 -32.7 13.4 3.5 35.6 85 164 A M T <4 S+ 0 0 129 -3,-0.8 2,-0.3 -2,-0.6 -1,-0.2 0.481 94.2 81.6-129.9 -8.7 15.3 1.0 33.5 86 165 A Y E < -F 82 0A 90 -4,-2.2 -4,-3.3 56,-0.0 2,-0.3 -0.750 59.9-141.0-107.3 155.0 12.8 -1.1 31.5 87 166 A F E -F 81 0A 46 -2,-0.3 2,-0.4 46,-0.3 49,-0.3 -0.822 4.3-159.2-110.7 147.3 10.9 -0.3 28.2 88 167 A C E -F 80 0A 7 -8,-1.9 -8,-1.6 -2,-0.3 2,-0.7 -0.999 13.1-148.7-122.6 128.9 7.4 -1.0 27.1 89 168 A M E +F 79 0A 0 -2,-0.4 13,-2.2 13,-0.4 2,-0.3 -0.876 23.2 172.4-102.2 113.2 6.7 -1.1 23.4 90 169 A N E -FG 78 101A 5 -12,-2.6 -12,-2.5 -2,-0.7 2,-0.4 -0.778 22.0-146.2-113.6 159.6 3.1 0.1 22.4 91 170 A I E -FG 77 100A 0 9,-1.9 9,-2.0 -2,-0.3 -14,-0.2 -0.992 22.9-122.8-128.5 123.7 1.5 0.8 19.0 92 171 A S E - 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0 0 66 -2,-0.5 3,-2.7 -56,-0.0 4,-0.4 -0.758 63.1 -70.6-137.1-172.7 14.6 1.8 23.4 143 229 A K G > S+ 0 0 101 1,-0.3 3,-2.3 -2,-0.2 -64,-0.2 0.808 119.3 76.1 -56.3 -28.0 13.1 5.2 23.8 144 230 A S G 3 S+ 0 0 74 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.696 93.0 54.9 -54.9 -18.6 14.8 6.2 20.5 145 231 A F G X S+ 0 0 6 -3,-2.7 3,-1.8 2,-0.1 -1,-0.3 0.593 81.2 117.1 -89.6 -15.0 12.0 4.2 18.9 146 232 A D T < S+ 0 0 17 -3,-2.3 -68,-0.2 -4,-0.4 3,-0.1 -0.279 82.8 10.7 -53.4 135.3 9.3 6.2 20.6 147 233 A Q T 3 S+ 0 0 65 -70,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.591 95.2 129.9 65.1 16.1 7.1 8.1 18.1 148 234 A R < - 0 0 71 -3,-1.8 -71,-3.5 -73,-0.0 2,-0.6 -0.580 63.9-109.4 -88.1 163.2 8.4 6.3 15.0 149 235 A D B >> -I 76 0B 31 -73,-0.2 4,-2.7 -2,-0.2 3,-1.3 -0.850 16.3-159.3-102.1 115.8 6.0 4.7 12.5 150 236 A L T 34 S+ 0 0 0 -75,-2.7 8,-0.6 -2,-0.6 -1,-0.1 0.690 93.0 59.3 -65.1 -17.9 5.9 0.9 12.5 151 237 A A T 34 S+ 0 0 4 -76,-0.2 -1,-0.3 6,-0.1 -142,-0.1 0.671 122.5 16.5 -80.7 -19.5 4.4 1.1 8.9 152 238 A Q T <4 S+ 0 0 147 -3,-1.3 -2,-0.2 -144,-0.1 -1,-0.1 0.648 86.6 119.8-130.5 -25.4 7.4 2.9 7.4 153 239 A D < - 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