==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-APR-12 4EKF . COMPND 2 MOLECULE: ADENAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN ADENOVIRUS 2; . AUTHOR M.L.BANIECKI,W.J.MCGRATH,W.F.MANGEL . 192 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 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 . 6 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 1 0 0 1 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 0 107 0, 0.0 185,-0.2 0, 0.0 184,-0.1 0.000 360.0 360.0 360.0 147.8 24.2 6.3 19.7 2 2 A G - 0 0 3 183,-2.9 2,-0.4 180,-0.1 48,-0.2 -0.388 360.0 -52.2 71.8-151.2 21.4 4.4 18.1 3 3 A S - 0 0 2 46,-2.3 2,-0.2 -2,-0.1 110,-0.0 -0.981 42.8-132.5-130.6 140.9 21.7 2.5 14.8 4 4 A S > - 0 0 43 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.441 29.0-110.8 -85.0 160.8 22.9 3.5 11.4 5 5 A E H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 119.3 54.1 -56.5 -39.9 21.1 2.8 8.2 6 6 A Q H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 107.1 50.4 -67.6 -34.1 23.8 0.3 7.2 7 7 A E H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 112.3 47.1 -62.5 -51.8 23.4 -1.6 10.5 8 8 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.903 110.4 52.3 -63.4 -40.6 19.7 -1.9 10.0 9 9 A K H X S+ 0 0 83 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.916 109.3 49.6 -59.8 -42.0 20.1 -2.9 6.4 10 10 A A H X S+ 0 0 26 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 113.6 46.0 -64.0 -40.2 22.5 -5.7 7.4 11 11 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 109.8 52.8 -70.8 -43.1 20.0 -7.0 10.1 12 12 A V H <>S+ 0 0 1 -4,-2.9 5,-2.0 1,-0.2 4,-0.4 0.889 109.6 50.6 -58.8 -40.0 17.0 -6.8 7.8 13 13 A K H ><5S+ 0 0 162 -4,-1.9 3,-1.5 -5,-0.2 5,-0.3 0.951 109.7 50.1 -62.2 -45.7 18.8 -8.9 5.2 14 14 A D H 3<5S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.873 105.1 58.5 -59.0 -36.6 19.8 -11.4 7.9 15 15 A L T 3<5S- 0 0 9 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.511 118.5-109.6 -78.4 -3.0 16.1 -11.6 9.0 16 16 A G T < 5S+ 0 0 46 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.551 84.3 120.0 93.2 14.9 15.0 -12.7 5.6 17 17 A C >>< + 0 0 0 -5,-2.0 3,-2.1 1,-0.2 4,-1.1 0.556 38.6 104.7 -89.4 -4.5 13.2 -9.5 4.5 18 18 A G G >4 S+ 0 0 42 -6,-0.4 3,-0.7 -5,-0.3 -1,-0.2 0.805 71.2 58.4 -45.0 -47.3 15.4 -8.8 1.5 19 19 A P G 34 S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.746 119.4 30.2 -60.3 -21.0 12.9 -9.9 -1.2 20 20 A Y G <4 S+ 0 0 78 -3,-2.1 20,-2.2 -4,-0.1 2,-0.5 0.443 92.7 111.7-111.9 -8.5 10.4 -7.3 0.0 21 21 A F E << -a 40 0A 40 -4,-1.1 20,-0.2 -3,-0.7 3,-0.1 -0.608 39.4-175.0 -83.6 123.9 12.6 -4.6 1.4 22 22 A L E - 0 0 74 18,-3.3 2,-0.2 -2,-0.5 19,-0.2 0.572 47.8-105.6 -89.9 -14.2 12.6 -1.3 -0.5 23 23 A G E - 0 0 13 17,-0.3 19,-2.0 2,-0.0 2,-0.4 -0.703 41.4 -50.8 126.0-172.7 15.4 0.4 1.5 24 24 A T E -a 42 0A 22 -2,-0.2 2,-0.3 17,-0.2 19,-0.2 -0.878 52.3-160.4-106.1 140.1 15.9 3.0 4.1 25 25 A Y E -a 43 0A 68 17,-2.1 19,-3.1 -2,-0.4 2,-0.7 -0.912 18.6-127.2-127.6 147.7 14.3 6.5 3.5 26 26 A D E S-a 44 0A 96 -2,-0.3 2,-2.6 17,-0.2 19,-0.2 -0.872 79.5 -46.8 -99.2 107.4 14.9 10.0 4.9 27 27 A K S S+ 0 0 109 17,-2.9 2,-0.1 -2,-0.7 -1,-0.1 -0.300 121.1 77.8 68.1 -48.7 11.7 11.4 6.2 28 28 A R S S- 0 0 183 -2,-2.6 16,-0.1 1,-0.1 3,-0.1 -0.390 79.8-112.5 -89.2 152.9 9.5 10.5 3.2 29 29 A F - 0 0 10 1,-0.2 -1,-0.1 -2,-0.1 -3,-0.1 -0.527 49.4 -73.3 -67.0 173.5 8.0 7.1 2.2 30 30 A P - 0 0 1 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.011 48.4-107.8 -59.1 157.2 9.0 5.1 -0.8 31 31 A G S S- 0 0 43 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.858 86.9 -13.6 -57.3 -43.6 7.9 6.4 -4.1 32 32 A F - 0 0 130 60,-0.1 2,-0.3 58,-0.0 -1,-0.1 -0.985 48.8-138.9-158.4 158.8 5.3 3.7 -4.7 33 33 A V - 0 0 9 -2,-0.3 5,-0.1 55,-0.3 6,-0.0 -0.934 28.1-129.9-121.3 153.2 3.8 0.4 -3.7 34 34 A S > - 0 0 21 3,-0.4 3,-1.0 -2,-0.3 59,-0.1 -0.792 9.9-135.7-104.6 145.6 2.6 -2.1 -6.3 35 35 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 0.586 106.2 50.6 -71.0 -4.5 -0.7 -3.9 -6.4 36 36 A H T 3 S+ 0 0 161 1,-0.1 2,-0.4 2,-0.0 24,-0.0 0.426 103.2 54.7-113.1 -2.8 1.3 -7.0 -7.1 37 37 A K S < S- 0 0 138 -3,-1.0 -3,-0.4 -17,-0.0 2,-0.1 -0.991 70.3-120.0-144.7 139.0 4.0 -7.2 -4.4 38 38 A L - 0 0 41 -2,-0.4 2,-0.3 20,-0.1 20,-0.2 -0.487 42.4-178.0 -62.2 145.5 4.6 -7.3 -0.7 39 39 A A E + B 0 57A 6 18,-1.9 18,-2.7 -2,-0.1 2,-0.3 -0.995 15.4 175.4-150.0 152.9 6.8 -4.4 0.3 40 40 A C E +aB 21 56A 0 -20,-2.2 -18,-3.3 -2,-0.3 -17,-0.3 -0.972 3.3 172.9-151.9 164.8 8.5 -2.9 3.4 41 41 A A E - B 0 55A 0 14,-2.4 14,-2.8 -2,-0.3 2,-0.4 -0.979 27.7-122.7-161.1 163.6 10.9 -0.2 4.3 42 42 A I E -aB 24 54A 0 -19,-2.0 -17,-2.1 -2,-0.3 2,-0.4 -0.978 25.4-159.4-118.6 136.3 12.5 1.7 7.2 43 43 A V E -aB 25 53A 0 10,-3.0 10,-2.3 -2,-0.4 2,-0.7 -0.963 13.8-146.8-119.2 129.3 12.1 5.5 7.5 44 44 A N E -aB 26 52A 11 -19,-3.1 -17,-2.9 -2,-0.4 8,-0.2 -0.873 14.6-162.5 -89.7 114.3 14.3 7.8 9.5 45 45 A T S S+ 0 0 31 6,-2.8 -1,-0.1 -2,-0.7 7,-0.1 0.586 83.1 46.9 -80.2 -9.7 11.8 10.4 10.6 46 46 A A 0 0 47 5,-0.5 -1,-0.2 4,-0.3 5,-0.1 0.708 360.0 360.0-102.0 -27.3 14.4 13.1 11.4 47 47 A G 0 0 55 4,-0.2 -1,-0.2 -22,-0.2 -2,-0.1 -0.304 360.0 360.0 110.3 360.0 16.6 12.9 8.4 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 52 A G 0 0 53 0, 0.0 -46,-2.3 0, 0.0 64,-0.4 0.000 360.0 360.0 360.0 23.0 20.7 7.1 14.9 50 53 A V + 0 0 32 -48,-0.2 -4,-0.3 1,-0.1 60,-0.1 -0.663 360.0 78.8-120.8-177.0 17.3 7.3 16.4 51 54 A H + 0 0 97 -2,-0.2 -6,-2.8 1,-0.2 -5,-0.5 0.913 61.5 159.1 80.4 55.0 14.0 8.3 14.9 52 55 A W E +B 44 0A 12 -8,-0.2 2,-0.3 -7,-0.1 -1,-0.2 -0.853 15.0 173.4-111.2 137.1 13.3 5.0 13.1 53 56 A M E -B 43 0A 1 -10,-2.3 -10,-3.0 -2,-0.4 2,-0.4 -0.938 23.0-131.2-133.2 151.7 9.8 3.8 12.0 54 57 A A E -BC 42 67A 0 13,-2.6 13,-2.3 -2,-0.3 2,-0.4 -0.891 15.2-163.9-110.2 142.0 8.9 0.8 9.8 55 58 A F E +BC 41 66A 0 -14,-2.8 -14,-2.4 -2,-0.4 2,-0.3 -0.950 11.4 173.0-118.8 142.3 6.6 0.7 6.8 56 59 A A E -BC 40 65A 0 9,-2.1 9,-2.9 -2,-0.4 2,-0.4 -0.990 12.9-159.8-148.3 158.1 4.9 -2.3 5.3 57 60 A W E -BC 39 64A 12 -18,-2.7 -18,-1.9 -2,-0.3 7,-0.2 -0.990 5.6-167.8-143.3 128.2 2.4 -3.0 2.6 58 61 A N E >> - C 0 63A 12 5,-2.6 5,-1.9 -2,-0.4 4,-0.9 -0.958 3.8-168.1-114.1 111.5 0.2 -6.1 1.9 59 62 A P T 45S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.691 84.3 57.4 -74.8 -18.7 -1.4 -5.9 -1.6 60 63 A R T 45S+ 0 0 236 1,-0.2 68,-0.0 3,-0.1 -2,-0.0 0.953 119.2 28.7 -79.7 -44.4 -3.8 -8.8 -0.9 61 64 A S T 45S- 0 0 55 2,-0.1 -1,-0.2 35,-0.0 35,-0.1 0.532 104.3-131.7 -86.4 -6.2 -5.4 -7.2 2.2 62 65 A K T <5 + 0 0 96 -4,-0.9 34,-2.4 1,-0.2 2,-0.4 0.929 57.1 144.9 53.2 53.8 -4.7 -3.8 0.8 63 66 A T E < -Cd 58 96A 13 -5,-1.9 -5,-2.6 32,-0.2 2,-0.4 -0.983 40.1-158.4-129.2 127.4 -3.3 -2.7 4.1 64 67 A C E -Cd 57 97A 1 32,-2.8 34,-2.9 -2,-0.4 2,-0.4 -0.879 16.0-156.5 -97.4 138.0 -0.4 -0.4 4.9 65 68 A Y E -Cd 56 98A 9 -9,-2.9 -9,-2.1 -2,-0.4 2,-0.5 -0.942 10.3-167.9-115.9 136.8 1.3 -0.8 8.3 66 69 A L E -Cd 55 99A 0 32,-2.3 34,-2.1 -2,-0.4 2,-0.5 -0.951 7.3-165.3-125.2 111.2 3.2 1.8 10.2 67 70 A F E +C 54 0A 5 -13,-2.3 -13,-2.6 -2,-0.5 32,-0.1 -0.841 12.4 172.2 -95.8 125.1 5.2 0.4 13.1 68 71 A E > - 0 0 12 -2,-0.5 3,-2.1 -15,-0.2 34,-0.1 -0.990 30.0-143.6-136.0 119.0 6.4 3.1 15.5 69 72 A P T 3 S+ 0 0 0 0, 0.0 35,-2.6 0, 0.0 36,-1.3 0.704 100.4 53.9 -61.8 -20.1 8.0 2.0 18.9 70 73 A F B > S-E 103 0B 36 33,-0.2 3,-1.9 34,-0.2 33,-0.3 0.118 112.1-116.2-102.7 21.4 6.4 5.0 20.7 71 74 A G T < - 0 0 3 -3,-2.1 32,-0.1 31,-0.5 74,-0.1 0.699 59.0 -71.6 64.2 22.1 2.9 4.2 19.6 72 75 A F T 3 S+ 0 0 8 1,-0.1 -1,-0.3 30,-0.1 6,-0.1 0.810 88.5 147.3 52.6 37.0 2.4 7.4 17.5 73 76 A S < + 0 0 56 -3,-1.9 2,-0.8 4,-0.1 -2,-0.1 0.695 50.8 83.5 -72.2 -19.6 2.3 9.3 20.9 74 77 A D S > S- 0 0 87 1,-0.2 4,-2.4 -4,-0.1 5,-0.2 -0.792 72.1-159.8 -84.5 106.5 4.0 12.2 19.1 75 78 A Q H > S+ 0 0 138 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.824 87.3 51.0 -64.6 -32.1 1.0 13.9 17.5 76 79 A R H > S+ 0 0 134 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.937 109.6 50.2 -71.6 -41.2 3.0 15.7 14.8 77 80 A L H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 110.8 50.6 -57.7 -45.2 4.8 12.5 13.8 78 81 A K H X S+ 0 0 99 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.943 111.6 47.7 -58.2 -45.2 1.4 10.9 13.5 79 82 A Q H X S+ 0 0 108 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.922 110.3 51.8 -63.6 -46.6 0.0 13.7 11.4 80 83 A V H X S+ 0 0 37 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.923 113.6 43.0 -55.4 -47.6 3.1 13.7 9.1 81 84 A Y H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.790 105.9 60.0 -84.4 -20.6 2.9 10.1 8.3 82 85 A Q H X S+ 0 0 57 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.936 110.7 44.3 -58.6 -44.9 -0.9 9.9 7.9 83 86 A F H X S+ 0 0 113 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.912 109.5 55.3 -66.2 -41.5 -0.3 12.4 5.1 84 87 A E H X S+ 0 0 28 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.903 107.4 51.4 -56.8 -42.6 2.7 10.4 3.7 85 88 A Y H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.934 110.1 47.9 -57.8 -48.3 0.4 7.4 3.5 86 89 A E H X S+ 0 0 71 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.912 112.7 48.6 -64.0 -38.5 -2.2 9.3 1.6 87 90 A S H X S+ 0 0 22 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.854 107.2 55.8 -66.9 -39.4 0.4 10.7 -0.8 88 91 A L H X S+ 0 0 1 -4,-2.3 4,-1.4 -5,-0.2 -55,-0.3 0.926 106.6 50.4 -59.0 -44.3 1.9 7.2 -1.3 89 92 A L H X S+ 0 0 47 -4,-2.1 4,-1.5 1,-0.2 3,-0.3 0.915 108.5 53.1 -62.5 -38.4 -1.5 6.0 -2.4 90 93 A R H < S+ 0 0 156 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.864 111.4 45.0 -66.0 -33.7 -1.8 8.9 -4.8 91 94 A R H < S+ 0 0 114 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.744 110.5 56.3 -78.5 -19.9 1.6 8.1 -6.4 92 95 A S H < 0 0 19 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.662 360.0 360.0 -94.9 -20.8 0.8 4.3 -6.6 93 96 A A < 0 0 134 -4,-1.5 -1,-0.2 -5,-0.1 -60,-0.1 -0.341 360.0 360.0 85.7 360.0 -2.4 4.5 -8.6 94 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 95 105 A I 0 0 104 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 0.000 360.0 360.0 360.0 137.6 -7.2 0.5 1.4 96 106 A T E -d 63 0A 81 -34,-2.4 -32,-2.8 -35,-0.1 2,-0.5 -0.923 360.0-150.3-123.5 143.4 -6.5 0.5 5.1 97 107 A L E -d 64 0A 29 -2,-0.4 2,-0.5 -34,-0.2 -32,-0.2 -0.980 12.0-168.2-108.7 124.0 -3.7 2.0 7.3 98 108 A E E -d 65 0A 82 -34,-2.9 -32,-2.3 -2,-0.5 2,-0.3 -0.978 11.8-176.0-112.3 120.6 -2.9 0.2 10.5 99 109 A K E -d 66 0A 48 -2,-0.5 -32,-0.2 -34,-0.2 -34,-0.0 -0.852 34.2 -94.3-114.2 150.1 -0.7 2.2 12.9 100 110 A S - 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