==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA-BINDING PROTEIN 21-JUN-96 1SFE . COMPND 2 MOLECULE: ADA O6-METHYLGUANINE-DNA METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.H.MOORE,J.M.GULBIS,E.J.DODSON,B.DEMPLE,P.C.E.MOODY . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8431.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 9.7 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 1 0 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 12 A L 0 0 208 0, 0.0 45,-0.1 0, 0.0 46,-0.0 0.000 360.0 360.0 360.0 6.7 -23.1 -12.4 -8.6 2 13 A A - 0 0 70 45,-0.1 2,-0.4 1,-0.0 19,-0.4 -0.266 360.0-174.9 -52.7 131.0 -19.7 -13.5 -10.0 3 14 A V - 0 0 14 17,-0.2 45,-1.9 43,-0.1 2,-0.3 -0.993 6.6-163.7-134.3 127.7 -17.3 -14.1 -7.2 4 15 A R E -Ab 19 48A 32 15,-3.1 15,-2.9 -2,-0.4 2,-0.3 -0.862 9.8-173.6-109.3 149.3 -13.7 -15.0 -7.7 5 16 A Y E -Ab 18 49A 26 43,-1.7 45,-0.8 -2,-0.3 2,-0.3 -0.954 12.3-172.8-144.4 157.3 -11.3 -16.5 -5.1 6 17 A A E -A 17 0A 11 11,-2.2 11,-2.2 -2,-0.3 2,-0.4 -0.985 18.8-135.2-141.3 154.3 -7.7 -17.4 -4.5 7 18 A L E +A 16 0A 38 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.920 32.1 162.7-115.5 135.0 -5.9 -19.2 -1.7 8 19 A A E -A 15 0A 23 7,-2.2 7,-2.7 -2,-0.4 2,-0.2 -0.951 36.0-109.4-145.2 163.4 -2.6 -17.8 -0.3 9 20 A D E +A 14 0A 115 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.638 39.7 163.9 -92.5 149.8 -0.3 -18.1 2.7 10 21 A C E > -A 13 0A 18 3,-1.2 3,-2.8 -2,-0.2 55,-0.1 -0.965 54.6 -85.7-154.7 172.8 0.1 -15.3 5.1 11 22 A E T 3 S+ 0 0 117 1,-0.3 3,-0.1 -2,-0.3 57,-0.1 0.785 127.6 52.3 -54.0 -32.1 1.4 -14.7 8.7 12 23 A L T 3 S- 0 0 7 1,-0.3 2,-0.3 55,-0.1 -1,-0.3 0.437 120.6-108.9 -87.7 2.8 -1.9 -15.7 10.1 13 24 A G E < S+A 10 0A 26 -3,-2.8 -3,-1.2 16,-0.1 2,-0.3 -0.820 74.5 5.3 112.7-143.1 -1.8 -19.0 8.1 14 25 A R E -AC 9 30A 55 16,-1.7 16,-2.4 -2,-0.3 2,-0.3 -0.549 67.9-176.9 -80.5 134.3 -4.0 -19.9 5.2 15 26 A C E -AC 8 29A 0 -7,-2.7 -7,-2.2 -2,-0.3 2,-0.5 -0.953 19.9-147.9-132.0 155.1 -6.3 -17.3 3.9 16 27 A L E -AC 7 28A 0 12,-2.4 12,-2.6 -2,-0.3 2,-0.4 -0.989 12.6-164.1-119.3 125.7 -8.9 -17.1 1.2 17 28 A V E -AC 6 27A 2 -11,-2.2 -11,-2.2 -2,-0.5 2,-0.3 -0.952 9.2-172.5-110.1 137.7 -9.4 -13.8 -0.7 18 29 A A E -AC 5 26A 0 8,-2.5 7,-1.8 -2,-0.4 8,-1.4 -0.956 4.7-169.5-135.2 145.2 -12.6 -13.3 -2.7 19 30 A E E -AC 4 24A 9 -15,-2.9 -15,-3.1 -2,-0.3 5,-0.2 -0.995 5.8-173.7-141.9 129.8 -13.7 -10.5 -5.0 20 31 A S - 0 0 5 3,-2.3 -17,-0.2 -2,-0.4 3,-0.1 -0.466 54.6 -84.0 -99.4-162.5 -17.0 -9.7 -6.7 21 32 A E S S+ 0 0 168 -19,-0.4 3,-0.1 1,-0.2 -18,-0.1 0.706 128.4 53.6 -81.4 -11.0 -17.3 -6.9 -9.3 22 33 A R S S- 0 0 179 1,-0.3 2,-0.3 57,-0.0 -1,-0.2 0.786 120.5 -81.0 -89.9 -31.8 -17.7 -4.3 -6.5 23 34 A G S S- 0 0 7 -3,-0.1 -3,-2.3 56,-0.1 -1,-0.3 -0.965 78.3 -13.3 159.2-173.1 -14.6 -5.1 -4.5 24 35 A I E +Cd 19 78A 1 53,-2.1 55,-3.4 -2,-0.3 -5,-0.3 -0.462 55.5 176.1 -56.1 119.6 -13.0 -7.5 -2.0 25 36 A C E + 0 0 1 -7,-1.8 2,-0.3 1,-0.3 -6,-0.2 0.454 59.9 19.9-111.9 -3.2 -16.1 -9.3 -0.6 26 37 A A E -C 18 0A 0 -8,-1.4 -8,-2.5 103,-0.1 2,-0.4 -0.910 45.2-179.2-168.9 139.0 -14.4 -11.9 1.7 27 38 A I E -Ce 17 129A 0 101,-2.5 103,-2.3 -2,-0.3 2,-0.4 -0.973 23.8-179.7-136.9 107.9 -11.2 -12.4 3.5 28 39 A L E -C 16 0A 0 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.3 -0.935 13.5-151.9-118.3 143.5 -11.2 -15.7 5.5 29 40 A L E +C 15 0A 4 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.862 31.7 122.9-116.7 150.4 -8.5 -17.2 7.6 30 41 A G E -C 14 0A 7 -16,-2.4 -16,-1.7 -2,-0.3 3,-0.1 -0.996 59.1-104.9 179.8-177.7 -7.9 -20.9 8.4 31 42 A D S S+ 0 0 130 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.723 94.2 39.9-105.4 -26.3 -5.6 -23.9 8.3 32 43 A D > - 0 0 81 1,-0.1 4,-2.0 -18,-0.1 3,-0.4 -0.986 65.4-136.6-136.9 142.6 -7.0 -26.0 5.4 33 44 A D H > S+ 0 0 62 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.884 99.6 62.1 -57.8 -44.8 -8.4 -25.2 2.0 34 45 A A H > S+ 0 0 45 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 109.2 41.7 -49.0 -48.7 -11.4 -27.5 2.1 35 46 A T H > S+ 0 0 62 -3,-0.4 4,-3.3 2,-0.2 5,-0.2 0.946 113.2 51.6 -69.8 -44.7 -12.9 -25.6 5.0 36 47 A L H X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.964 111.9 48.6 -55.5 -47.1 -12.1 -22.1 3.7 37 48 A I H X S+ 0 0 35 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.874 113.9 43.9 -65.9 -38.5 -13.7 -23.0 0.4 38 49 A S H X S+ 0 0 57 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.936 112.3 53.7 -73.7 -38.5 -16.9 -24.5 2.0 39 50 A E H X S+ 0 0 47 -4,-3.3 4,-0.9 2,-0.2 -2,-0.2 0.952 115.5 40.7 -55.2 -47.1 -17.1 -21.5 4.4 40 51 A L H >X S+ 0 0 1 -4,-3.1 4,-3.9 -5,-0.2 3,-1.0 0.931 111.6 55.6 -66.6 -43.7 -16.9 -19.2 1.3 41 52 A Q H 3< S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.887 100.0 62.4 -58.5 -33.4 -19.3 -21.5 -0.7 42 53 A Q H 3< S+ 0 0 160 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.843 118.8 25.1 -57.3 -41.7 -21.8 -21.1 2.2 43 54 A M H << S+ 0 0 46 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.778 139.9 25.6 -94.4 -35.9 -21.9 -17.3 1.5 44 55 A F S >< S- 0 0 26 -4,-3.9 3,-0.9 -5,-0.2 -1,-0.2 -0.840 77.0-175.7-131.2 88.8 -20.9 -17.2 -2.2 45 56 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.786 74.7 36.0 -66.7 -36.4 -21.9 -20.6 -3.6 46 57 A A T 3 S+ 0 0 97 -45,-0.1 -43,-0.1 2,-0.1 -5,-0.1 0.175 81.4 144.2-103.8 20.2 -20.7 -20.8 -7.2 47 58 A A < - 0 0 9 -3,-0.9 2,-0.3 -7,-0.1 -43,-0.2 -0.295 31.9-164.8 -52.1 141.2 -17.6 -18.8 -6.4 48 59 A D E -b 4 0A 102 -45,-1.9 -43,-1.7 1,-0.0 -2,-0.1 -0.908 21.9-105.8-132.1 158.2 -14.7 -20.1 -8.6 49 60 A N E -b 5 0A 89 -2,-0.3 -43,-0.2 -45,-0.2 -46,-0.0 -0.315 25.6-163.6 -77.2 159.9 -10.9 -19.8 -8.5 50 61 A A > + 0 0 20 -45,-0.8 3,-0.9 3,-0.1 7,-0.2 -0.424 20.2 162.7-148.1 67.4 -9.3 -17.6 -11.2 51 62 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.781 79.0 47.0 -57.9 -33.7 -5.6 -18.3 -11.6 52 63 A A T 3 S+ 0 0 85 4,-0.0 2,-1.1 5,-0.0 3,-0.1 0.580 77.5 108.2 -93.0 -7.3 -5.3 -16.7 -15.0 53 64 A D <> - 0 0 57 -3,-0.9 4,-2.4 1,-0.2 5,-0.2 -0.548 53.0-169.2 -67.9 99.0 -7.2 -13.5 -14.1 54 65 A L H > S+ 0 0 150 -2,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.881 82.0 49.3 -55.8 -42.7 -4.0 -11.3 -14.1 55 66 A M H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.893 111.3 47.9 -73.0 -32.5 -5.9 -8.3 -12.6 56 67 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.949 108.3 55.0 -71.0 -44.9 -7.5 -10.4 -9.8 57 68 A Q H X S+ 0 0 51 -4,-2.4 4,-1.1 -7,-0.2 -1,-0.2 0.771 106.6 51.7 -61.7 -31.7 -4.2 -12.0 -8.9 58 69 A Q H >X S+ 0 0 95 -4,-1.1 4,-2.1 2,-0.2 3,-0.5 0.948 108.2 50.7 -62.1 -53.1 -2.6 -8.5 -8.4 59 70 A H H 3X S+ 0 0 45 -4,-1.8 4,-3.3 1,-0.3 -2,-0.2 0.884 107.3 54.8 -51.7 -42.4 -5.5 -7.4 -6.1 60 71 A V H 3X S+ 0 0 8 -4,-2.4 4,-3.0 1,-0.2 -1,-0.3 0.869 107.0 50.0 -59.6 -38.5 -4.9 -10.6 -4.0 61 72 A R H < S+ 0 0 8 -4,-1.8 3,-0.9 -3,-0.2 6,-0.4 0.973 111.0 55.0 -53.7 -55.1 -2.2 -5.5 4.2 67 78 A L H 3< S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.780 109.7 43.9 -50.2 -41.7 -2.8 -8.8 5.9 68 79 A N H 3< S+ 0 0 41 -4,-2.1 -1,-0.3 -3,-0.2 2,-0.3 0.703 102.5 81.6 -84.2 -14.6 0.9 -9.4 6.8 69 80 A Q S << S- 0 0 103 -4,-1.4 3,-0.4 -3,-0.9 0, 0.0 -0.597 77.5-129.8 -95.3 150.1 1.6 -5.8 7.9 70 81 A R S S+ 0 0 95 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.870 98.5 0.5 -56.9 -45.7 0.8 -4.3 11.3 71 82 A D S S+ 0 0 99 27,-0.1 -1,-0.2 2,-0.1 -4,-0.1 -0.053 83.2 136.9-145.3 41.2 -1.0 -1.2 10.1 72 83 A T - 0 0 59 -6,-0.4 -3,-0.1 -3,-0.4 -4,-0.0 -0.801 48.5-135.7 -94.5 108.0 -1.1 -1.1 6.3 73 84 A P - 0 0 98 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 -0.208 15.1-120.0 -57.5 145.7 -4.6 -0.0 5.3 74 85 A L - 0 0 22 1,-0.2 4,-0.1 58,-0.1 -11,-0.1 -0.876 29.2-175.9 -93.4 114.3 -6.3 -1.9 2.4 75 86 A T + 0 0 122 -2,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.778 48.1 102.3 -76.8 -36.6 -6.9 0.6 -0.3 76 87 A L S S- 0 0 13 1,-0.1 -2,-0.1 -17,-0.1 2,-0.0 -0.155 88.4 -85.3 -51.0 154.2 -8.7 -1.6 -2.8 77 88 A P - 0 0 80 0, 0.0 -53,-2.1 0, 0.0 2,-0.4 -0.307 42.9-138.1 -61.7 137.5 -12.5 -1.2 -2.9 78 89 A L B -d 24 0A 35 -55,-0.3 2,-0.8 -3,-0.1 -53,-0.2 -0.759 7.1-153.1-103.0 138.8 -14.5 -3.2 -0.3 79 90 A D - 0 0 8 -55,-3.4 2,-0.6 -2,-0.4 -56,-0.1 -0.776 23.8-175.1-106.4 81.2 -17.7 -5.0 -1.1 80 91 A I - 0 0 40 -2,-0.8 2,-0.5 -58,-0.1 -55,-0.1 -0.759 1.4-170.2 -83.9 118.5 -19.3 -4.9 2.4 81 92 A R + 0 0 97 -2,-0.6 2,-0.3 -56,-0.2 47,-0.1 -0.942 31.3 82.5-115.0 127.0 -22.6 -6.9 2.5 82 93 A G S S- 0 0 38 -2,-0.5 -2,-0.0 4,-0.0 2,-0.0 -0.986 70.4 -51.8 169.4-179.7 -25.0 -6.8 5.5 83 94 A T > - 0 0 81 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 -0.239 55.4-103.3 -74.3 164.4 -27.8 -5.2 7.4 84 95 A A H > S+ 0 0 70 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.944 124.4 49.3 -52.9 -48.9 -27.8 -1.6 8.5 85 96 A F H > S+ 0 0 48 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.936 112.4 46.1 -57.0 -50.5 -26.9 -2.6 12.1 86 97 A Q H > S+ 0 0 47 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.945 114.2 49.4 -58.8 -44.2 -24.1 -4.9 10.9 87 98 A Q H X S+ 0 0 85 -4,-3.3 4,-3.1 1,-0.2 -2,-0.2 0.922 111.0 49.4 -62.0 -41.5 -22.8 -2.1 8.6 88 99 A Q H X S+ 0 0 89 -4,-3.6 4,-2.2 -5,-0.3 -1,-0.2 0.918 113.1 47.1 -62.4 -45.3 -23.0 0.3 11.5 89 100 A V H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.918 115.0 45.1 -62.4 -49.9 -21.1 -2.1 13.7 90 101 A W H X S+ 0 0 6 -4,-3.3 4,-1.9 2,-0.2 -2,-0.2 0.916 110.2 54.0 -61.1 -39.9 -18.4 -2.8 11.0 91 102 A Q H >< S+ 0 0 104 -4,-3.1 3,-0.6 -5,-0.3 4,-0.4 0.961 110.0 48.2 -59.3 -44.8 -18.0 0.9 10.1 92 103 A A H >X S+ 0 0 20 -4,-2.2 3,-1.4 1,-0.3 4,-0.5 0.842 105.0 58.2 -70.1 -30.5 -17.3 1.6 13.8 93 104 A L H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 -1,-0.3 0.858 99.8 60.5 -52.1 -43.1 -14.8 -1.2 14.1 94 105 A R T << S+ 0 0 100 -4,-1.9 -1,-0.2 -3,-0.6 -2,-0.2 0.641 98.8 55.5 -64.3 -13.1 -12.9 0.5 11.3 95 106 A T T <4 S+ 0 0 99 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.551 79.1 109.4 -98.4 -2.6 -12.5 3.6 13.5 96 107 A I S << S- 0 0 12 -3,-1.2 3,-0.1 -4,-0.5 2,-0.1 -0.468 77.7-119.1 -69.0 124.2 -10.8 1.6 16.3 97 108 A P > - 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