==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 19-APR-08 3CVS . COMPND 2 MOLECULE: DNA-3-METHYLADENINE GLYCOSYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.R.BOWMAN,S.LEE,S.WANG,G.L.VERDINE . 1128 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 764 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 11 1.0 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 . 51 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 405 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.5 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 1 4 7 0 13 6 3 9 2 0 0 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 6 4 0 4 4 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 . 2 0 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 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 1 A M 0 0 172 0, 0.0 61,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -78.1 29.5 1.6 69.4 2 2 A Y E -A 61 0A 41 59,-2.8 59,-3.6 69,-0.0 2,-0.4 -0.582 360.0-154.8 -80.3 147.3 29.5 -1.8 67.6 3 3 A T E -A 60 0A 64 57,-0.2 2,-0.3 -2,-0.2 57,-0.2 -0.985 15.6-178.0-133.5 140.2 33.0 -3.0 66.6 4 4 A L E -A 59 0A 5 55,-2.0 55,-2.6 -2,-0.4 2,-0.2 -0.901 19.7-129.8-127.3 155.8 34.4 -5.3 63.9 5 5 A N E -A 58 0A 78 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.588 18.0-175.4-102.9 166.5 38.0 -6.5 63.2 6 6 A W - 0 0 16 51,-1.4 79,-0.1 -2,-0.2 78,-0.1 -0.958 30.0-109.3-152.1 158.5 40.1 -6.5 60.0 7 7 A Q - 0 0 62 79,-0.5 50,-0.0 77,-0.4 51,-0.0 -0.826 53.3 -81.8 -99.0 129.7 43.5 -7.9 59.2 8 8 A P S S+ 0 0 68 0, 0.0 2,-0.1 0, 0.0 96,-0.0 -0.333 97.3 55.7 -67.3 153.7 46.3 -5.4 58.6 9 9 A P + 0 0 58 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.559 60.9 163.1 -88.6 153.9 47.3 -3.7 56.5 10 10 A Y - 0 0 21 -2,-0.1 2,-1.7 -4,-0.1 95,-0.2 -0.977 30.8-146.5-133.0 118.5 44.3 -1.7 55.5 11 11 A D > + 0 0 50 93,-1.8 4,-2.1 -2,-0.4 3,-0.2 -0.583 26.1 170.6 -85.0 79.4 44.7 1.4 53.4 12 12 A W H > S+ 0 0 14 -2,-1.7 4,-3.0 1,-0.2 5,-0.3 0.809 73.6 55.2 -60.4 -32.5 41.9 3.5 54.8 13 13 A S H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 108.7 48.2 -68.7 -39.8 42.9 6.7 53.1 14 14 A W H > S+ 0 0 13 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.938 116.4 44.1 -61.9 -47.6 42.8 4.9 49.7 15 15 A M H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.951 115.6 44.6 -62.9 -54.0 39.4 3.5 50.5 16 16 A L H X S+ 0 0 6 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.923 114.5 52.4 -58.0 -40.3 37.8 6.6 52.0 17 17 A G H X S+ 0 0 39 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.932 109.2 48.8 -59.2 -46.8 39.4 8.4 49.1 18 18 A F H X S+ 0 0 5 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.931 114.6 44.3 -60.1 -47.0 37.8 6.0 46.6 19 19 A L H X S+ 0 0 7 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.854 108.9 58.7 -67.2 -34.1 34.3 6.3 48.3 20 20 A A H >< S+ 0 0 48 -4,-2.7 3,-0.8 -5,-0.3 -1,-0.2 0.902 100.5 55.4 -62.3 -41.9 34.7 10.1 48.5 21 21 A A H 3< S+ 0 0 53 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.893 118.1 34.3 -59.2 -38.6 35.1 10.4 44.7 22 22 A R H 3< S+ 0 0 32 -4,-1.1 -1,-0.2 -3,-0.1 -2,-0.2 0.362 87.1 135.3 -99.5 3.9 31.8 8.6 44.1 23 23 A A << - 0 0 27 -3,-0.8 2,-0.6 -4,-0.7 113,-0.1 -0.141 50.1-132.2 -55.7 147.9 29.9 9.8 47.1 24 24 A V >> - 0 0 1 111,-0.1 4,-2.5 112,-0.1 3,-2.0 -0.918 23.9-111.9-111.0 120.3 26.3 10.9 46.6 25 25 A S T 34 S+ 0 0 72 -2,-0.6 4,-0.1 107,-0.3 115,-0.1 -0.144 100.1 10.0 -49.3 133.4 25.1 14.2 48.0 26 26 A S T 34 S+ 0 0 46 2,-0.4 127,-2.5 1,-0.1 -1,-0.3 0.107 125.8 65.6 81.7 -20.7 22.6 13.9 50.8 27 27 A V T <4 S+ 0 0 0 -3,-2.0 11,-2.1 1,-0.2 2,-0.3 0.890 105.6 19.9 -96.1 -52.1 23.2 10.2 50.9 28 28 A E E < -B 37 0A 13 -4,-2.5 2,-0.4 9,-0.2 -2,-0.4 -0.813 53.9-160.3-121.3 160.1 26.8 9.8 52.1 29 29 A T E -B 36 0A 55 7,-2.9 7,-2.3 -2,-0.3 2,-0.5 -0.978 14.1-166.7-138.4 121.4 29.4 11.9 53.9 30 30 A V E +B 35 0A 39 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.945 12.5 164.6-119.4 132.1 33.1 11.0 53.7 31 31 A A - 0 0 28 3,-2.5 -11,-0.1 -2,-0.5 -2,-0.0 -0.786 51.0 -98.2-130.3 173.8 36.0 12.4 55.8 32 32 A D S S+ 0 0 135 -2,-0.2 -16,-0.1 1,-0.2 -15,-0.1 0.669 121.6 29.6 -71.8 -15.3 39.6 11.3 56.4 33 33 A S S S+ 0 0 62 1,-0.2 2,-0.3 -17,-0.1 -1,-0.2 0.533 123.7 25.3-120.7 -11.2 38.7 9.5 59.6 34 34 A Y - 0 0 89 17,-0.2 -3,-2.5 2,-0.0 2,-0.4 -0.968 51.9-148.8-150.0 167.3 35.1 8.3 59.1 35 35 A Y E +BC 30 50A 4 15,-2.3 15,-4.4 -2,-0.3 2,-0.3 -0.997 23.1 171.9-136.4 134.5 32.4 7.3 56.7 36 36 A A E +BC 29 49A 2 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.3 -0.998 3.3 154.3-147.7 145.4 28.7 7.9 57.3 37 37 A R E -BC 28 48A 10 11,-2.1 11,-2.8 -2,-0.3 -9,-0.2 -0.972 43.9 -86.7-160.1 170.7 25.5 7.6 55.3 38 38 A S E - C 0 47A 0 -11,-2.1 2,-0.3 115,-0.3 9,-0.2 -0.436 45.0-172.6 -77.8 159.4 21.8 7.0 55.3 39 39 A L E - C 0 46A 7 7,-1.5 7,-1.6 -2,-0.1 2,-0.5 -0.952 15.6-161.9-160.1 136.0 20.7 3.4 55.2 40 40 A A E - C 0 45A 37 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.965 6.0-178.4-126.5 116.5 17.4 1.6 54.9 41 41 A V E > S- C 0 44A 16 3,-2.0 3,-2.0 -2,-0.5 2,-0.3 -0.898 70.6 -56.5-112.2 98.9 16.9 -2.1 55.9 42 42 A G T 3 S- 0 0 63 -2,-0.7 1007,-0.0 1,-0.3 0, 0.0 -0.520 120.6 -18.6 69.4-126.0 13.3 -2.9 55.0 43 43 A E T 3 S+ 0 0 119 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.508 119.6 99.0 -89.8 -6.4 11.1 -0.4 56.8 44 44 A Y E < +C 41 0A 40 -3,-2.0 -3,-2.0 23,-0.1 2,-0.3 -0.645 52.2 176.8 -85.4 138.6 13.9 0.5 59.2 45 45 A R E +C 40 0A 75 21,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.983 13.8 107.8-144.4 153.2 15.9 3.6 58.6 46 46 A G E -C 39 0A 3 -7,-1.6 -7,-1.5 -2,-0.3 2,-0.4 -0.958 57.3 -60.3 176.0-157.5 18.7 5.7 60.1 47 47 A V E -C 38 0A 11 -2,-0.3 17,-1.7 -9,-0.2 2,-0.4 -0.975 34.4-159.4-123.4 132.5 22.3 6.9 59.8 48 48 A V E -CD 37 63A 2 -11,-2.8 -11,-2.1 -2,-0.4 2,-0.5 -0.917 5.0-167.4-111.0 137.9 25.4 4.6 60.0 49 49 A T E -CD 36 62A 30 13,-2.0 13,-2.2 -2,-0.4 2,-0.6 -0.983 3.6-161.6-128.0 119.9 28.8 6.0 60.9 50 50 A A E -CD 35 61A 2 -15,-4.4 -15,-2.3 -2,-0.5 11,-0.2 -0.895 8.4-176.8-104.4 123.7 31.9 3.9 60.4 51 51 A I E - D 0 60A 79 9,-3.3 9,-2.8 -2,-0.6 -17,-0.2 -0.922 15.5-146.3-122.5 104.8 35.0 5.1 62.4 52 52 A P E - D 0 59A 21 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.304 4.1-157.2 -68.5 155.2 38.2 3.1 61.7 53 53 A D E >> - D 0 58A 32 5,-2.3 5,-1.8 1,-0.1 4,-0.9 -0.861 8.7-175.6-135.8 94.1 40.7 2.6 64.5 54 54 A I T >45S+ 0 0 114 -2,-0.4 3,-1.1 2,-0.2 -1,-0.1 0.926 81.4 53.4 -57.6 -54.9 44.1 1.9 63.0 55 55 A A T 345S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.814 121.2 35.9 -52.6 -30.5 46.1 1.2 66.2 56 56 A R T 345S- 0 0 144 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.480 97.5-133.7-103.7 -5.0 43.4 -1.3 67.0 57 57 A H T <<5 + 0 0 80 -3,-1.1 -51,-1.4 -4,-0.9 2,-0.3 0.906 67.6 124.5 45.9 48.0 42.6 -2.7 63.5 58 58 A T E < -AD 5 53A 11 -5,-1.8 -5,-2.3 -53,-0.2 2,-0.5 -0.895 56.3-142.0-131.2 156.0 39.0 -2.3 64.5 59 59 A L E -AD 4 52A 0 -55,-2.6 -55,-2.0 -2,-0.3 2,-0.5 -0.987 13.6-149.4-125.5 120.5 36.1 -0.5 62.9 60 60 A H E -AD 3 51A 50 -9,-2.8 -9,-3.3 -2,-0.5 2,-0.5 -0.783 13.7-166.7 -91.6 128.5 33.6 1.2 65.2 61 61 A I E -AD 2 50A 0 -59,-3.6 -59,-2.8 -2,-0.5 2,-0.4 -0.970 3.5-168.1-119.2 125.8 30.0 1.4 63.8 62 62 A N E - D 0 49A 66 -13,-2.2 -13,-2.0 -2,-0.5 2,-0.4 -0.904 4.7-161.2-110.9 143.8 27.3 3.6 65.3 63 63 A L E - D 0 48A 7 -2,-0.4 -15,-0.2 -15,-0.2 2,-0.1 -0.978 18.4-125.3-125.7 136.0 23.7 3.3 64.4 64 64 A S >> - 0 0 14 -17,-1.7 3,-2.0 -2,-0.4 4,-0.7 -0.383 43.5 -96.2 -69.9 157.6 20.9 5.9 64.9 65 65 A A G >4 S+ 0 0 80 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.790 119.2 64.7 -46.3 -41.4 17.9 4.5 66.8 66 66 A G G 34 S+ 0 0 35 1,-0.2 -21,-0.3 2,-0.1 -1,-0.3 0.733 105.0 44.7 -60.0 -22.8 15.9 3.6 63.8 67 67 A L G X4 S+ 0 0 0 -3,-2.0 3,-1.5 -23,-0.2 -1,-0.2 0.596 84.6 94.0 -97.1 -12.4 18.4 1.0 62.6 68 68 A E G X< S+ 0 0 62 -3,-0.9 3,-2.0 -4,-0.7 4,-0.2 0.837 76.6 62.8 -48.2 -43.5 19.0 -0.7 66.0 69 69 A P G 3 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.838 115.4 32.5 -53.3 -35.5 16.3 -3.4 65.3 70 70 A V G X> S+ 0 0 18 -3,-1.5 4,-2.2 1,-0.2 3,-1.0 -0.078 79.9 138.5-113.5 34.0 18.3 -4.6 62.3 71 71 A A H <> + 0 0 6 -3,-2.0 4,-2.4 1,-0.3 5,-0.2 0.874 68.2 52.9 -41.1 -57.1 21.7 -3.8 63.8 72 72 A A H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 853,-0.4 0.793 108.2 50.0 -55.7 -35.6 23.4 -7.1 62.6 73 73 A E H <> S+ 0 0 29 -3,-1.0 4,-2.7 2,-0.2 5,-0.3 0.935 109.0 52.3 -70.7 -43.6 22.3 -6.6 59.0 74 74 A C H X S+ 0 0 0 -4,-2.2 4,-2.0 -7,-0.2 -2,-0.2 0.921 110.8 48.4 -56.3 -42.3 23.7 -3.0 59.1 75 75 A L H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.918 110.8 49.8 -63.4 -44.9 27.0 -4.4 60.4 76 76 A A H X S+ 0 0 0 -4,-2.2 4,-1.4 845,-0.4 -1,-0.2 0.855 110.2 50.4 -64.6 -34.8 27.1 -7.1 57.7 77 77 A K H X S+ 0 0 22 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.892 111.5 49.6 -69.7 -35.9 26.3 -4.5 55.0 78 78 A M H X S+ 0 0 2 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.910 108.2 52.1 -68.1 -41.5 29.2 -2.4 56.4 79 79 A S H X>S+ 0 0 14 -4,-2.7 5,-1.7 1,-0.2 4,-0.5 0.797 110.6 48.9 -66.1 -27.7 31.6 -5.4 56.4 80 80 A R H <5S+ 0 0 50 -4,-1.4 3,-0.3 2,-0.2 -1,-0.2 0.860 108.8 53.1 -78.7 -36.2 30.8 -6.0 52.8 81 81 A L H <5S+ 0 0 6 -4,-1.9 28,-2.9 28,-0.2 -2,-0.2 0.924 118.7 35.0 -63.9 -42.4 31.3 -2.4 51.9 82 82 A F H <5S- 0 0 0 -4,-2.3 -1,-0.2 26,-0.2 -2,-0.2 0.389 101.4-127.2 -96.5 3.3 34.7 -2.3 53.5 83 83 A D T ><5 + 0 0 3 -4,-0.5 3,-1.4 -3,-0.3 -3,-0.2 0.907 41.6 168.5 55.8 45.5 35.9 -5.8 52.6 84 84 A L T 3 < + 0 0 10 -5,-1.7 -77,-0.4 1,-0.3 -1,-0.1 0.701 69.0 68.1 -62.9 -17.2 36.7 -6.7 56.3 85 85 A Q T 3 S+ 0 0 38 -6,-0.4 -1,-0.3 -79,-0.1 834,-0.1 0.751 73.8 116.3 -74.7 -24.8 37.1 -10.3 55.2 86 86 A C < - 0 0 4 -3,-1.4 -79,-0.5 1,-0.1 3,-0.1 -0.075 51.5-156.6 -52.6 137.2 40.2 -9.7 53.1 87 87 A N > - 0 0 41 1,-0.1 4,-1.8 -81,-0.1 3,-0.4 -0.930 5.1-165.0-112.9 102.0 43.4 -11.4 54.0 88 88 A P H >>S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.6 0.867 84.2 62.5 -57.6 -36.5 46.1 -9.2 52.5 89 89 A Q H >5S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.929 107.0 44.2 -56.4 -44.6 48.8 -11.9 52.9 90 90 A I H >5S+ 0 0 89 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.974 121.1 37.9 -63.2 -55.4 46.9 -14.3 50.6 91 91 A V H X5S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.938 119.1 45.2 -63.3 -52.6 46.0 -11.7 47.9 92 92 A N H X5S+ 0 0 34 -4,-3.2 4,-1.9 1,-0.2 7,-0.2 0.884 111.5 55.3 -61.6 -35.2 49.3 -9.8 48.0 93 93 A G H << S- 0 0 14 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.709 84.9-178.4 -78.0 -21.8 49.7 -10.8 42.9 96 96 A G G >< + 0 0 39 -4,-1.9 3,-1.3 -5,-0.3 -1,-0.2 -0.365 66.8 6.9 62.1-129.1 53.3 -10.3 43.8 97 97 A R G > S+ 0 0 217 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.802 118.5 73.2 -56.2 -35.4 54.7 -7.0 42.4 98 98 A L G < S+ 0 0 23 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.790 110.6 28.1 -53.8 -31.7 51.4 -5.8 41.1 99 99 A G G < S+ 0 0 1 -3,-1.3 3,-0.3 -7,-0.2 -1,-0.3 0.188 89.4 101.7-117.7 18.7 50.1 -5.0 44.6 100 100 A A S < S+ 0 0 53 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.744 79.0 56.9 -73.0 -24.6 53.4 -4.3 46.5 101 101 A A S S+ 0 0 90 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.746 122.3 22.6 -79.6 -24.0 52.9 -0.5 46.3 102 102 A R > + 0 0 82 -3,-0.3 3,-2.4 1,-0.1 -1,-0.2 -0.377 65.7 161.7-141.6 61.6 49.5 -0.6 48.1 103 103 A P T 3 S+ 0 0 51 0, 0.0 -11,-0.1 0, 0.0 -1,-0.1 0.634 75.4 63.8 -55.7 -16.6 49.2 -3.8 50.2 104 104 A G T 3 S+ 0 0 4 -94,-0.1 -93,-1.8 -3,-0.1 -2,-0.0 0.566 74.9 129.9 -86.4 -8.5 46.4 -2.2 52.2 105 105 A L < - 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