==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 02-MAR-01 1I6J . COMPND 2 MOLECULE: 5'-D(*GP*TP*CP*GP*TP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.L.COTE,M.M.GEORGIADIS . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13617.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 3 1.2 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 . 24 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 1 0 0 0 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 2 0 2 2 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 . 1 3 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 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 23 A M >> 0 0 173 0, 0.0 4,-0.8 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 18.7 27.7 11.8 4.0 2 24 A T H 3> + 0 0 87 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.729 360.0 63.6 -66.2 -19.4 29.9 13.6 1.5 3 25 A W H 3> S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 93.1 60.0 -69.4 -40.2 26.6 14.8 -0.0 4 26 A L H <4 S+ 0 0 60 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.3 41.4 -56.8 -33.5 25.7 16.6 3.2 5 27 A S H < S+ 0 0 74 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 111.3 53.2 -83.2 -41.1 28.9 18.7 2.7 6 28 A D H < S+ 0 0 102 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.704 117.9 37.1 -68.8 -19.9 28.6 19.3 -1.1 7 29 A F >X + 0 0 20 -4,-1.7 4,-1.1 1,-0.1 3,-0.8 -0.453 65.6 157.9-133.7 63.6 25.1 20.6 -0.8 8 30 A P T 34 S+ 0 0 72 0, 0.0 3,-0.5 0, 0.0 6,-0.3 0.893 77.6 47.2 -49.0 -53.4 24.8 22.7 2.4 9 31 A Q T 34 S+ 0 0 84 1,-0.2 6,-0.1 6,-0.1 220,-0.1 0.684 105.9 59.9 -67.0 -22.7 21.9 24.8 1.3 10 32 A A T <4 S+ 0 0 3 -3,-0.8 222,-2.8 221,-0.1 2,-0.3 0.789 89.8 76.6 -80.7 -29.3 19.8 21.8 0.1 11 33 A W B >X S-a 232 0A 4 -4,-1.1 4,-2.9 -3,-0.5 3,-1.0 -0.662 72.9-139.2 -89.4 138.5 19.6 19.8 3.3 12 34 A A H 3> S+ 0 0 21 220,-3.1 4,-0.8 -2,-0.3 221,-0.1 0.881 103.4 63.5 -57.5 -36.5 17.2 20.8 6.0 13 35 A E H 34 S+ 0 0 91 219,-0.4 -1,-0.2 1,-0.2 220,-0.1 0.795 123.5 11.5 -59.1 -33.1 19.9 19.9 8.5 14 36 A T H <4 S+ 0 0 71 -3,-1.0 -2,-0.2 -6,-0.3 -1,-0.2 0.473 118.0 65.9-127.1 -4.6 22.3 22.7 7.2 15 37 A G H < S- 0 0 20 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.1 0.537 91.5-133.2 -97.6 -6.5 20.3 24.9 4.9 16 38 A G < - 0 0 42 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.035 53.3 -25.5 77.2 171.5 17.9 26.4 7.5 17 39 A M S S- 0 0 57 1,-0.1 114,-0.1 214,-0.0 213,-0.0 -0.316 77.8-123.6 -56.6 131.2 14.2 26.7 7.1 18 40 A G - 0 0 3 112,-0.2 2,-0.2 113,-0.1 212,-0.2 -0.033 24.5-170.9 -72.8 177.8 13.3 27.0 3.5 19 41 A L - 0 0 55 210,-2.3 2,-1.7 118,-0.0 117,-0.2 -0.745 27.5-128.4-171.2 117.6 11.4 29.6 1.5 20 42 A A > - 0 0 1 115,-3.5 3,-1.4 -2,-0.2 117,-0.3 -0.572 28.8-176.7 -76.2 87.3 10.2 29.2 -2.1 21 43 A V T 3 S+ 0 0 84 -2,-1.7 -1,-0.2 207,-1.1 208,-0.1 0.754 76.6 54.1 -58.5 -29.1 11.7 32.5 -3.4 22 44 A R T 3 S+ 0 0 177 206,-0.6 2,-0.5 -3,-0.1 -1,-0.3 0.640 91.7 88.4 -83.3 -12.8 10.3 32.0 -6.9 23 45 A Q S < S- 0 0 20 -3,-1.4 114,-0.3 1,-0.0 3,-0.1 -0.752 77.4-127.9 -94.5 125.3 6.7 31.6 -5.8 24 46 A A - 0 0 74 -2,-0.5 115,-0.1 1,-0.1 3,-0.1 -0.330 44.2 -85.6 -64.0 144.2 4.5 34.6 -5.3 25 47 A P - 0 0 45 0, 0.0 113,-0.3 0, 0.0 2,-0.3 -0.260 55.6-108.7 -51.9 135.7 2.7 34.7 -1.9 26 48 A L B -c 138 0B 28 111,-2.6 113,-3.2 -3,-0.1 2,-0.6 -0.491 24.3-154.3 -75.8 133.1 -0.4 32.6 -2.2 27 49 A I - 0 0 103 -2,-0.3 -1,-0.0 111,-0.2 -3,-0.0 -0.928 10.8-148.5-106.7 122.7 -3.9 34.3 -2.2 28 50 A I - 0 0 13 -2,-0.6 2,-0.2 111,-0.2 117,-0.0 -0.807 11.6-143.2 -97.4 103.8 -6.6 32.0 -0.9 29 51 A P - 0 0 84 0, 0.0 72,-1.8 0, 0.0 2,-0.2 -0.426 12.9-143.9 -67.8 132.4 -10.0 32.7 -2.6 30 52 A L B -D 100 0C 68 70,-0.3 70,-0.3 -2,-0.2 69,-0.1 -0.559 27.8 -92.5 -91.8 160.1 -13.1 32.4 -0.4 31 53 A K > - 0 0 74 68,-2.7 3,-1.4 -2,-0.2 -1,-0.1 -0.321 44.9-103.9 -65.4 155.4 -16.5 31.0 -1.5 32 54 A A T 3 S+ 0 0 106 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.789 118.6 38.2 -53.4 -33.4 -18.9 33.7 -2.7 33 55 A T T 3 S+ 0 0 126 2,-0.0 -1,-0.3 66,-0.0 2,-0.1 0.395 85.3 130.7-103.0 4.1 -21.0 33.7 0.4 34 56 A S < - 0 0 29 -3,-1.4 -4,-0.1 65,-0.2 65,-0.0 -0.308 29.8-178.1 -66.6 138.9 -18.2 33.2 3.1 35 57 A T - 0 0 97 -2,-0.1 -2,-0.0 1,-0.0 -4,-0.0 -0.963 41.0 -85.0-130.7 144.3 -18.1 35.5 6.2 36 58 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 36,-0.1 -0.170 40.3-155.8 -53.0 142.7 -15.4 35.2 8.9 37 59 A V - 0 0 28 2,-0.0 36,-2.0 -3,-0.0 2,-0.6 -0.985 4.8-161.3-123.8 131.1 -16.0 32.7 11.6 38 60 A S B -e 73 0D 82 -2,-0.4 2,-0.3 34,-0.3 36,-0.2 -0.879 11.3-163.1-117.0 98.7 -14.5 33.1 15.1 39 61 A I - 0 0 44 34,-3.5 2,-0.1 -2,-0.6 -2,-0.0 -0.640 24.5-110.4 -86.4 136.0 -14.5 29.8 17.0 40 62 A K - 0 0 175 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.340 26.4-125.8 -62.8 137.0 -14.0 29.8 20.8 41 63 A Q - 0 0 16 34,-0.1 3,-0.1 33,-0.1 -1,-0.1 -0.787 23.8-135.3 -88.7 114.4 -10.7 28.3 22.0 42 64 A Y - 0 0 183 -2,-0.7 34,-0.1 1,-0.1 -1,-0.0 -0.477 35.5 -89.7 -69.6 138.0 -11.4 25.6 24.6 43 65 A P - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.145 43.0-146.3 -48.2 135.4 -9.2 25.7 27.7 44 66 A M - 0 0 28 -3,-0.1 33,-0.0 33,-0.0 -3,-0.0 -0.872 17.2-111.7-109.0 142.1 -6.0 23.7 27.3 45 67 A S > - 0 0 67 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.280 25.4-117.0 -66.9 156.2 -4.3 21.9 30.2 46 68 A Q H > S+ 0 0 128 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.905 115.4 57.6 -62.2 -39.6 -1.0 23.2 31.4 47 69 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.944 110.8 41.5 -55.8 -49.6 0.6 19.9 30.4 48 70 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.933 115.1 51.5 -62.3 -47.3 -0.5 20.3 26.8 49 71 A R H X S+ 0 0 56 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.896 110.0 48.5 -58.0 -44.2 0.3 24.0 26.8 50 72 A L H < S+ 0 0 97 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 111.5 50.4 -65.9 -37.8 3.8 23.4 28.1 51 73 A G H < S+ 0 0 26 -4,-1.9 4,-0.4 -5,-0.3 -2,-0.2 0.871 116.2 41.2 -67.7 -35.9 4.4 20.7 25.5 52 74 A I H >X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-1.1 0.836 95.6 80.6 -79.0 -37.5 3.2 23.0 22.6 53 75 A K H 3X S+ 0 0 74 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.790 88.4 52.8 -40.2 -49.5 4.9 26.2 23.8 54 76 A P H 3> S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.882 109.7 49.8 -60.4 -38.2 8.4 25.4 22.4 55 77 A H H <> S+ 0 0 31 -3,-1.1 4,-2.4 -4,-0.4 -2,-0.2 0.944 111.6 48.1 -66.0 -45.3 7.0 24.7 19.0 56 78 A I H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.913 112.0 49.7 -60.6 -43.4 5.1 27.9 18.9 57 79 A Q H X S+ 0 0 84 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.914 109.7 50.7 -62.8 -44.3 8.1 29.9 20.0 58 80 A R H X S+ 0 0 117 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.923 110.3 49.9 -59.7 -44.1 10.3 28.3 17.4 59 81 A L H <>S+ 0 0 19 -4,-2.4 5,-1.6 1,-0.2 6,-1.6 0.842 111.2 49.6 -64.6 -33.1 7.7 29.2 14.7 60 82 A L H ><5S+ 0 0 32 -4,-1.9 3,-1.1 2,-0.2 -2,-0.2 0.930 110.5 49.0 -71.0 -44.7 7.6 32.8 16.0 61 83 A D H 3<5S+ 0 0 125 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.923 111.9 50.2 -59.2 -42.3 11.4 33.0 15.9 62 84 A Q T 3<5S- 0 0 74 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.568 112.3-123.3 -72.0 -10.5 11.3 31.7 12.4 63 85 A G T < 5S+ 0 0 28 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.524 81.4 118.5 79.6 5.0 8.7 34.2 11.4 64 86 A I S -H 87 0F 60 -2,-0.5 3,-0.7 7,-0.2 7,-0.2 -0.722 27.5-152.3 -83.0 101.2 0.0 13.4 21.6 81 103 A K G > S+ 0 0 119 5,-1.2 3,-1.0 -2,-1.1 5,-0.3 -0.004 70.0 16.3 -65.2 179.4 1.2 11.7 18.4 82 104 A P G 3 S- 0 0 109 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.670 122.7 -78.3 21.8 39.8 2.2 7.9 18.2 83 105 A G G < S+ 0 0 68 -3,-0.7 -2,-0.1 1,-0.2 -3,-0.1 0.322 103.2 135.1 61.8 -15.2 0.3 7.4 21.5 84 106 A T S < S- 0 0 68 -3,-1.0 2,-1.0 1,-0.1 -1,-0.2 -0.221 70.7-114.7 -61.2 154.4 3.5 9.0 22.9 85 107 A N S S+ 0 0 128 -3,-0.1 2,-0.5 -5,-0.1 -1,-0.1 -0.285 78.0 116.5 -90.6 50.9 3.1 11.7 25.5 86 108 A D - 0 0 78 -2,-1.0 -5,-1.2 -5,-0.3 2,-0.2 -0.969 55.1-145.3-121.9 114.4 4.6 14.4 23.3 87 109 A Y E +H 80 0F 39 -2,-0.5 -7,-0.2 -7,-0.2 -2,-0.1 -0.555 18.5 177.6 -85.3 144.9 2.3 17.3 22.4 88 110 A R E -H 79 0F 116 -9,-0.8 -9,-1.5 -2,-0.2 2,-0.2 -0.995 37.3 -96.4-144.0 142.1 2.3 19.1 19.1 89 111 A P E +H 78 0F 36 0, 0.0 2,-0.4 0, 0.0 -13,-0.0 -0.381 39.7 178.1 -62.1 123.9 0.1 22.0 17.8 90 112 A V E -H 77 0F 62 -13,-2.0 -13,-3.4 -2,-0.2 2,-0.4 -0.970 15.3-150.7-132.0 115.8 -2.8 20.8 15.6 91 113 A Q E -H 76 0F 19 -2,-0.4 2,-1.3 -15,-0.2 -15,-0.2 -0.701 10.8-138.3 -90.5 132.9 -5.2 23.4 14.3 92 114 A D + 0 0 30 -17,-2.8 3,-0.4 -2,-0.4 4,-0.1 -0.740 33.0 165.3 -90.6 93.3 -8.8 22.5 13.5 93 115 A L >> + 0 0 3 -2,-1.3 4,-3.3 1,-0.2 3,-0.5 0.144 35.8 115.0 -94.0 17.5 -9.4 24.3 10.3 94 116 A R H 3> S+ 0 0 166 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 77.3 47.9 -57.1 -40.8 -12.6 22.6 9.3 95 117 A E H 34 S+ 0 0 52 -3,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.761 114.9 46.9 -71.5 -25.2 -14.7 25.7 9.5 96 118 A V H X> S+ 0 0 0 -3,-0.5 3,-1.1 2,-0.2 4,-0.7 0.902 109.7 53.1 -79.1 -44.4 -12.2 27.6 7.5 97 119 A N H >< S+ 0 0 24 -4,-3.3 3,-1.0 1,-0.3 -2,-0.2 0.881 103.9 57.4 -56.5 -40.4 -11.9 24.8 4.9 98 120 A K T 3< S+ 0 0 119 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.766 109.6 45.3 -60.8 -29.3 -15.7 24.9 4.5 99 121 A R T <4 S+ 0 0 65 -3,-1.1 -68,-2.7 -4,-0.5 2,-0.4 0.458 92.5 93.2 -97.4 -1.7 -15.6 28.6 3.5 100 122 A V B << S-D 30 0C 1 -3,-1.0 -70,-0.3 -4,-0.7 -72,-0.0 -0.782 85.5-105.8 -95.7 133.8 -12.6 28.4 1.1 101 123 A E - 0 0 94 -72,-1.8 -2,-0.1 -2,-0.4 -1,-0.1 -0.296 40.5-113.5 -57.8 134.5 -13.4 27.9 -2.6 102 124 A D - 0 0 99 -4,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.285 27.3-158.6 -69.9 154.1 -12.6 24.4 -3.9 103 125 A I - 0 0 63 -2,-0.0 72,-0.1 0, 0.0 -1,-0.0 -0.949 32.3 -92.8-130.5 152.2 -9.9 23.7 -6.4 104 126 A H - 0 0 152 -2,-0.3 2,-0.7 1,-0.1 0, 0.0 -0.466 41.8-118.8 -66.7 129.9 -9.5 20.7 -8.6 105 127 A P + 0 0 92 0, 0.0 -1,-0.1 0, 0.0 67,-0.0 -0.590 38.4 172.3 -71.1 112.4 -7.3 18.0 -6.9 106 128 A T + 0 0 56 -2,-0.7 -2,-0.0 2,-0.1 69,-0.0 0.481 38.6 110.6-103.0 -2.9 -4.3 17.6 -9.2 107 129 A V - 0 0 36 1,-0.1 93,-0.1 93,-0.0 68,-0.1 -0.604 67.7-130.3 -73.7 124.9 -2.1 15.4 -7.1 108 130 A P - 0 0 52 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.326 23.9-104.7 -70.2 155.8 -2.0 11.9 -8.8 109 131 A N > - 0 0 80 1,-0.1 4,-2.5 91,-0.0 3,-0.5 -0.631 32.4-114.3 -81.0 143.5 -2.7 8.8 -6.7 110 132 A P H > S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.839 114.3 59.2 -43.8 -41.3 0.5 6.9 -5.9 111 133 A Y H > S+ 0 0 164 1,-0.2 4,-0.9 2,-0.2 0, 0.0 0.958 111.6 38.0 -57.2 -52.5 -0.6 3.9 -7.9 112 134 A N H 4 S+ 0 0 90 -3,-0.5 3,-0.5 1,-0.2 4,-0.3 0.876 113.3 57.3 -67.0 -37.3 -0.9 6.0 -11.2 113 135 A L H >< S+ 0 0 26 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.914 105.3 50.5 -60.4 -43.4 2.2 8.0 -10.4 114 136 A L H >< S+ 0 0 13 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.736 92.8 74.8 -68.0 -21.5 4.4 4.9 -10.1 115 137 A S T 3< S+ 0 0 93 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.640 85.0 69.3 -65.5 -11.6 3.1 3.6 -13.5 116 138 A G T < S+ 0 0 43 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.1 0.075 74.5 100.6 -95.0 25.0 5.3 6.3 -15.0 117 139 A L < - 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