==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 25-APR-04 1T39 . COMPND 2 MOLECULE: 5'-D(*GP*CP*CP*AP*TP*GP*(E1X)P*CP*TP*AP*GP*TP*A)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.S.DANIELS,T.T.WOO,K.X.LUU,D.M.NOLL,N.D.CLARKE,A.E.PEGG, . 299 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16077.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 7.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 26 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 2 1 1 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 5 A C 0 0 82 0, 0.0 19,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.7 70.7 -14.4 -14.6 2 6 A E - 0 0 158 17,-0.1 18,-0.2 2,-0.0 17,-0.0 0.723 360.0-138.5-104.2 -24.4 72.8 -17.3 -13.2 3 7 A M - 0 0 75 20,-0.1 17,-0.3 1,-0.1 2,-0.2 0.988 28.3-177.3 61.6 85.0 74.0 -15.8 -9.8 4 8 A K E -A 19 0A 144 15,-2.0 15,-1.3 13,-0.1 2,-0.5 -0.628 22.7-114.6-108.0 168.1 77.6 -16.7 -9.4 5 9 A R E +A 18 0A 177 -2,-0.2 2,-0.4 13,-0.2 13,-0.2 -0.911 27.3 175.1-111.8 130.3 80.0 -16.1 -6.5 6 10 A T E -A 17 0A 45 11,-0.5 11,-1.9 -2,-0.5 2,-0.2 -1.000 15.3-159.3-129.9 118.7 83.0 -13.8 -6.5 7 11 A T - 0 0 86 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.560 10.1-172.4 -93.4 168.4 84.9 -13.3 -3.3 8 12 A L - 0 0 35 -2,-0.2 7,-2.0 2,-0.0 2,-0.5 -0.989 23.5-116.2-159.3 155.3 87.2 -10.4 -2.5 9 13 A D E +C 14 0B 93 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.850 36.4 165.6-101.6 129.8 89.7 -9.2 0.1 10 14 A S E > -C 13 0B 3 3,-1.9 3,-3.3 -2,-0.5 34,-0.0 -0.889 55.9 -97.4-134.6 163.2 88.9 -6.0 2.0 11 15 A P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.535 127.7 58.5 -60.3 -3.0 90.4 -4.4 5.2 12 16 A L T 3 S- 0 0 39 1,-0.6 2,-0.2 132,-0.0 129,-0.0 0.282 122.9-103.9-106.1 5.5 87.3 -6.0 6.8 13 17 A G E < -C 10 0B 23 -3,-3.3 -3,-1.9 2,-0.1 -1,-0.6 -0.615 68.4 -19.8 101.1-165.3 88.4 -9.4 5.6 14 18 A K E -C 9 0B 103 17,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.437 58.5-165.6 -75.9 151.6 86.9 -11.4 2.7 15 19 A L - 0 0 1 -7,-2.0 2,-0.6 14,-0.2 14,-0.2 -0.838 11.1-145.5-148.2 103.7 83.4 -10.4 1.5 16 20 A E B -D 28 0C 51 12,-1.1 12,-2.5 -2,-0.3 2,-0.7 -0.569 14.5-172.6 -70.2 112.2 81.3 -12.7 -0.8 17 21 A L E -A 6 0A 0 -11,-1.9 -11,-0.5 -2,-0.6 10,-0.2 -0.840 9.6-174.0-112.7 96.6 79.2 -10.7 -3.2 18 22 A S E +A 5 0A 11 -2,-0.7 8,-2.6 -13,-0.2 7,-1.4 -0.401 18.5 125.0 -85.3 162.4 76.8 -12.9 -5.1 19 23 A G E -AB 4 24A 1 -15,-1.3 -15,-2.0 5,-0.3 5,-0.2 -0.823 46.6-102.5 160.4 160.7 74.5 -12.0 -8.0 20 24 A C E > - B 0 23A 3 3,-0.8 3,-0.9 -17,-0.3 16,-0.2 -0.327 46.6 -93.7 -95.1-178.7 73.4 -12.7 -11.6 21 25 A E T 3 S+ 0 0 132 1,-0.2 3,-0.1 -2,-0.1 13,-0.1 0.546 124.5 63.3 -73.3 -5.3 74.2 -10.8 -14.8 22 26 A Q T 3 S- 0 0 107 1,-0.3 2,-0.3 12,-0.1 -1,-0.2 0.722 121.4 -52.1 -88.4 -23.2 71.0 -8.9 -14.2 23 27 A G E < -B 20 0A 0 -3,-0.9 -3,-0.8 39,-0.2 2,-0.6 -0.978 66.6 -55.5 169.2 178.8 72.3 -7.4 -11.0 24 28 A L E +B 19 0A 0 36,-4.6 -5,-0.3 -2,-0.3 3,-0.1 -0.718 38.1 179.7 -85.0 121.6 74.0 -7.7 -7.5 25 29 A H - 0 0 41 -7,-1.4 2,-0.3 -2,-0.6 -6,-0.2 0.861 60.5 -17.1 -90.3 -38.3 72.0 -10.0 -5.3 26 30 A E - 0 0 71 -8,-2.6 -1,-0.2 90,-0.1 90,-0.2 -0.893 38.5-160.0-156.3 178.9 74.2 -9.8 -2.1 27 31 A I - 0 0 0 88,-0.8 2,-0.4 -2,-0.3 -10,-0.3 -0.376 23.1-170.7-171.5 78.4 77.5 -8.9 -0.5 28 32 A K B -D 16 0C 108 -12,-2.5 2,-1.8 88,-0.1 -12,-1.1 -0.648 23.4-136.4 -86.0 132.2 78.2 -10.6 2.8 29 33 A L - 0 0 35 -2,-0.4 -14,-0.2 -14,-0.2 -15,-0.1 -0.583 34.5-172.1 -85.5 78.6 81.1 -9.7 5.1 30 34 A L 0 0 60 -2,-1.8 -16,-0.1 -16,-0.2 107,-0.0 -0.274 360.0 360.0 -72.0 156.4 82.1 -13.2 6.0 31 35 A G 0 0 109 -18,-0.1 -17,-0.5 -16,-0.0 -1,-0.1 0.999 360.0 360.0 -57.8 360.0 84.8 -13.9 8.7 32 ! 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 33 56 A P > 0 0 78 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 61.7 79.1 -11.0 -15.0 34 57 A E H > + 0 0 133 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.795 360.0 52.6 -33.1 -57.8 79.1 -7.3 -15.5 35 58 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.898 109.7 44.6 -49.5 -61.0 77.4 -6.4 -12.1 36 59 A L H > S+ 0 0 4 -3,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.942 118.3 42.6 -53.1 -52.9 79.6 -8.4 -9.7 37 60 A M H X S+ 0 0 123 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.721 115.2 52.6 -68.1 -18.3 82.9 -7.3 -11.3 38 61 A Q H X S+ 0 0 52 -4,-1.6 4,-1.4 -5,-0.4 -1,-0.2 0.803 112.1 44.3 -83.6 -34.0 81.4 -3.8 -11.5 39 62 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.844 107.6 60.1 -75.4 -37.0 80.5 -3.9 -7.8 40 63 A T H X S+ 0 0 22 -4,-2.9 4,-2.1 -5,-0.2 5,-0.2 0.900 104.3 50.3 -57.8 -42.0 84.0 -5.3 -7.2 41 64 A A H X S+ 0 0 41 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.954 109.0 49.8 -61.6 -51.4 85.5 -2.2 -8.6 42 65 A W H X S+ 0 0 20 -4,-1.4 4,-3.5 15,-0.2 5,-0.2 0.905 109.8 52.8 -54.6 -46.2 83.4 0.2 -6.5 43 66 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.941 110.5 44.4 -56.6 -52.9 84.3 -1.8 -3.4 44 67 A N H X S+ 0 0 54 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.812 115.5 52.6 -63.0 -26.6 88.1 -1.5 -4.0 45 68 A A H X S+ 0 0 4 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.958 107.5 47.5 -72.7 -52.1 87.4 2.1 -4.8 46 69 A Y H < S+ 0 0 1 -4,-3.5 -2,-0.2 2,-0.2 -3,-0.2 0.933 123.0 38.6 -53.5 -46.0 85.5 2.9 -1.6 47 70 A F H < S+ 0 0 9 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.997 132.2 17.4 -68.9 -76.8 88.3 1.2 0.2 48 71 A H H < S+ 0 0 109 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.230 138.4 29.6 -86.5 15.4 91.6 2.1 -1.5 49 72 A Q >< + 0 0 106 -4,-1.9 3,-1.7 -5,-0.1 -1,-0.2 0.054 58.3 144.2-164.4 41.9 90.3 5.1 -3.4 50 73 A P G > + 0 0 16 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.678 57.0 94.9 -61.1 -12.5 87.4 7.0 -1.7 51 74 A E G 3 S+ 0 0 152 1,-0.3 -5,-0.1 -6,-0.2 -6,-0.0 0.649 106.8 11.7 -53.3 -14.2 89.0 10.1 -3.1 52 75 A A G X S+ 0 0 23 -3,-1.7 3,-0.5 -7,-0.2 -1,-0.3 -0.296 72.8 149.1-164.0 64.4 86.5 9.7 -6.0 53 76 A I G X S+ 0 0 21 -3,-1.2 3,-1.1 1,-0.2 -7,-0.1 0.757 77.6 58.6 -74.6 -24.7 83.9 7.0 -5.2 54 77 A E G 3 S+ 0 0 171 1,-0.3 -1,-0.2 -4,-0.2 4,-0.1 0.662 88.2 75.1 -78.3 -12.9 81.3 8.8 -7.3 55 78 A E G < S+ 0 0 156 -3,-0.5 -1,-0.3 2,-0.1 -2,-0.2 0.478 90.1 76.0 -73.5 -1.9 83.7 8.4 -10.2 56 79 A F S < S- 0 0 72 -3,-1.1 2,-0.1 -14,-0.1 -1,-0.0 -0.959 86.0-122.4-118.8 128.1 82.5 4.8 -10.1 57 80 A P - 0 0 82 0, 0.0 -15,-0.2 0, 0.0 -2,-0.1 -0.365 23.5-126.8 -67.3 136.2 79.2 3.5 -11.4 58 81 A V - 0 0 53 1,-0.1 -19,-0.1 -4,-0.1 3,-0.1 -0.673 32.1-118.9 -81.8 137.4 77.0 1.7 -8.9 59 82 A P - 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.079 32.9 -81.4 -71.9 175.8 75.9 -1.7 -10.2 60 83 A A - 0 0 44 -39,-0.1 -36,-4.6 1,-0.1 2,-1.2 -0.613 38.1-133.8 -79.8 135.9 72.4 -3.1 -10.9 61 84 A L + 0 0 25 -2,-0.3 2,-1.2 -38,-0.3 5,-0.1 -0.673 25.5 179.5 -96.9 83.9 70.6 -4.3 -7.8 62 85 A H + 0 0 14 -2,-1.2 -42,-0.2 -42,-0.1 -39,-0.2 -0.728 36.8 114.4 -86.2 96.8 69.0 -7.6 -8.7 63 86 A H S >> S- 0 0 40 -2,-1.2 3,-1.9 -44,-0.1 4,-1.5 -0.938 76.2-111.2-162.9 140.4 67.3 -8.6 -5.5 64 87 A P H 3> S+ 0 0 77 0, 0.0 4,-1.1 0, 0.0 -39,-0.0 0.718 113.4 61.6 -45.8 -26.9 63.6 -9.1 -4.4 65 88 A V H 34 S+ 0 0 30 1,-0.2 5,-0.2 2,-0.2 11,-0.1 0.809 110.5 37.3 -75.2 -29.4 63.8 -6.0 -2.2 66 89 A F H <4 S+ 0 0 10 -3,-1.9 -1,-0.2 -5,-0.1 -4,-0.1 0.654 107.1 66.8 -94.7 -18.9 64.5 -3.7 -5.0 67 90 A Q H < S+ 0 0 115 -4,-1.5 -2,-0.2 2,-0.1 -1,-0.1 0.854 102.1 46.3 -69.4 -38.9 62.3 -5.4 -7.6 68 91 A Q S < S- 0 0 152 -4,-1.1 2,-0.6 1,-0.0 0, 0.0 -0.343 92.5-102.5 -96.8-179.8 59.0 -4.6 -5.8 69 92 A E + 0 0 122 -2,-0.1 2,-0.2 4,-0.1 -3,-0.1 -0.926 57.4 132.1-113.5 114.7 57.8 -1.3 -4.3 70 93 A S > - 0 0 59 -2,-0.6 4,-1.6 -5,-0.2 5,-0.1 -0.744 67.2-101.2-144.4-176.2 57.9 -0.9 -0.6 71 94 A F H > S+ 0 0 53 -2,-0.2 4,-2.6 2,-0.2 5,-0.3 0.933 125.6 54.5 -73.6 -52.1 59.0 1.3 2.3 72 95 A T H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.821 105.0 60.3 -48.3 -32.7 62.0 -0.8 2.7 73 96 A R H >> S+ 0 0 50 2,-0.2 4,-3.0 3,-0.2 3,-0.7 0.994 109.3 35.4 -59.0 -71.5 62.5 0.1 -1.0 74 97 A Q H 3X>S+ 0 0 69 -4,-1.6 4,-4.8 1,-0.3 5,-0.5 0.930 113.6 59.4 -48.6 -55.1 62.7 3.9 -0.7 75 98 A V H 3X5S+ 0 0 0 -4,-2.6 4,-0.9 1,-0.2 -1,-0.3 0.841 114.0 37.1 -44.0 -43.8 64.6 3.6 2.6 76 99 A L H X5S+ 0 0 98 -4,-3.0 3,-0.5 1,-0.3 4,-0.5 0.878 116.4 44.5 -57.8 -42.8 67.1 3.6 -2.4 78 101 A K H 3X>S+ 0 0 74 -4,-4.8 4,-1.7 -5,-0.2 5,-0.5 0.763 103.6 67.6 -74.5 -26.5 67.2 6.9 -0.4 79 102 A L H 3< - 0 0 103 -2,-0.9 3,-0.5 1,-0.2 -3,-0.1 -0.184 39.9 -55.4 -78.4 173.3 77.0 10.3 0.5 85 108 A F T 3 S+ 0 0 69 1,-0.2 2,-0.6 -35,-0.1 -1,-0.2 -0.239 125.3 8.7 -53.8 128.7 80.5 9.2 1.6 86 109 A G T 3 S+ 0 0 19 1,-0.3 -1,-0.2 -3,-0.1 63,-0.1 -0.319 100.5 118.4 94.7 -49.5 81.3 10.5 5.1 87 110 A E < - 0 0 87 -2,-0.6 2,-0.3 -3,-0.5 -1,-0.3 0.058 48.3-154.2 -51.1 155.1 77.8 11.8 5.8 88 111 A V - 0 0 60 -3,-0.1 2,-0.3 38,-0.0 37,-0.2 -0.973 10.0-172.6-133.5 148.7 75.7 10.4 8.7 89 112 A I E -e 125 0D 11 35,-2.3 37,-1.9 -2,-0.3 2,-0.2 -0.999 23.5-113.1-146.9 145.0 71.9 10.3 9.1 90 113 A S E > -e 126 0D 3 -2,-0.3 4,-2.1 35,-0.3 5,-0.2 -0.492 27.2-119.0 -76.1 147.5 69.4 9.4 11.8 91 114 A Y H > S+ 0 0 49 35,-1.0 4,-2.0 1,-0.2 3,-0.5 0.918 119.7 42.6 -46.7 -51.6 67.1 6.4 11.5 92 115 A Q H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.961 107.1 58.3 -61.2 -54.9 64.2 9.0 11.8 93 116 A Q H > S+ 0 0 111 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.780 108.8 47.8 -47.8 -32.3 65.8 11.5 9.4 94 117 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -3,-0.5 -1,-0.3 0.933 104.1 58.4 -74.6 -47.5 65.9 8.8 6.8 95 118 A A H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.761 104.4 54.7 -50.4 -29.3 62.3 7.8 7.4 96 119 A A H >< S+ 0 0 47 -4,-1.7 3,-2.5 5,-0.2 -1,-0.2 0.973 107.8 47.3 -68.5 -54.0 61.6 11.4 6.5 97 120 A L H 3< S+ 0 0 57 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 110.3 53.9 -53.1 -39.3 63.4 11.0 3.2 98 121 A A T 3< S- 0 0 13 -4,-2.6 2,-0.9 2,-0.2 -1,-0.3 0.239 120.3-110.3 -82.7 14.4 61.4 7.8 2.7 99 122 A G S < S+ 0 0 48 -3,-2.5 -1,-0.2 -5,-0.2 4,-0.1 -0.837 96.5 76.4 98.6-102.4 58.1 9.6 3.2 100 123 A N > - 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