==== 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 05-MAR-04 1SKM . COMPND 2 MOLECULE: 5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.R.HORTON,G.RATNER,N.BANAVALI,N.HUANG,V.E.MARQUEZ, . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 1 1 0 1 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 1 2 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 . 0 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 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 76 0, 0.0 2,-0.2 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 160.4 -13.1 69.9 175.4 2 2 A I - 0 0 51 306,-0.0 2,-0.5 307,-0.0 28,-0.0 -0.528 360.0-101.7-102.5 172.5 -13.1 69.4 171.6 3 3 A E - 0 0 193 -2,-0.2 2,-0.6 28,-0.0 28,-0.1 -0.828 25.2-151.7-100.3 131.4 -10.9 70.9 168.9 4 4 A I - 0 0 18 -2,-0.5 3,-0.1 26,-0.3 308,-0.0 -0.899 11.7-176.7-103.8 117.0 -12.1 73.7 166.7 5 5 A K S S+ 0 0 100 -2,-0.6 2,-1.0 1,-0.2 -1,-0.2 0.954 76.1 54.5 -74.9 -54.2 -10.6 73.9 163.3 6 6 A D S S- 0 0 42 1,-0.1 2,-1.9 3,-0.0 -1,-0.2 -0.725 79.7-149.3 -87.3 100.2 -12.3 77.1 162.1 7 7 A K > + 0 0 95 -2,-1.0 3,-1.5 1,-0.2 24,-0.1 -0.465 20.6 177.4 -70.7 83.0 -11.6 79.8 164.7 8 8 A Q T 3 S+ 0 0 39 -2,-1.9 -1,-0.2 1,-0.3 24,-0.1 0.818 74.3 51.6 -57.3 -35.8 -14.8 81.8 164.3 9 9 A L T > S+ 0 0 0 22,-1.5 3,-2.2 19,-0.1 -1,-0.3 0.339 74.3 140.4 -89.4 8.4 -13.8 84.3 167.0 10 10 A T T < S+ 0 0 92 -3,-1.5 23,-0.2 21,-0.5 3,-0.1 -0.202 71.2 21.0 -52.4 137.6 -10.4 85.2 165.8 11 11 A G T 3 S+ 0 0 65 21,-0.8 2,-0.3 1,-0.3 -1,-0.3 0.304 99.2 117.1 86.5 -9.4 -9.7 89.0 166.2 12 12 A L < - 0 0 30 -3,-2.2 22,-2.9 20,-0.2 2,-0.3 -0.693 52.6-146.2 -96.9 146.8 -12.3 89.4 168.9 13 13 A R E +a 34 0A 78 -2,-0.3 60,-2.2 20,-0.2 61,-1.8 -0.813 18.7 178.6-108.4 148.9 -11.7 90.5 172.5 14 14 A F E -ab 35 74A 0 20,-2.4 22,-2.3 -2,-0.3 23,-0.6 -0.981 22.1-131.7-147.1 157.8 -13.7 89.3 175.5 15 15 A I E -ab 37 75A 0 59,-1.8 61,-2.3 -2,-0.3 2,-0.9 -0.905 14.6-140.0-113.9 142.5 -13.8 89.8 179.3 16 16 A D E > -ab 38 76A 0 21,-3.6 23,-2.3 -2,-0.4 3,-0.8 -0.748 25.6-176.0-103.3 85.2 -14.1 86.9 181.7 17 17 A L E 3 S+ b 0 77A 1 59,-2.1 61,-0.8 -2,-0.9 23,-0.1 -0.558 72.2 11.2 -83.6 147.2 -16.5 88.0 184.5 18 18 A F T 3 S- 0 0 2 21,-0.5 -1,-0.3 -2,-0.2 22,-0.2 0.907 87.5-177.7 53.2 40.4 -17.1 85.7 187.6 19 19 A A X + 0 0 0 20,-2.5 3,-2.4 -3,-0.8 4,-0.5 0.746 12.3 163.1 -40.7 -47.1 -14.1 83.9 186.1 20 20 A G T 3 S- 0 0 4 1,-0.3 -1,-0.2 19,-0.2 29,-0.1 -0.373 79.7 -10.7 57.9-130.0 -13.9 81.0 188.5 21 21 A L T 3 S- 0 0 0 280,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.660 101.6-109.7 -73.2 -17.4 -11.8 78.3 186.9 22 22 A G <> + 0 0 0 -3,-2.4 4,-2.2 -4,-0.2 5,-0.2 0.775 63.0 153.5 93.5 28.4 -11.9 80.1 183.6 23 23 A G H > S+ 0 0 0 306,-2.0 4,-2.2 -4,-0.5 5,-0.2 0.911 75.0 52.6 -55.4 -45.2 -14.2 77.8 181.7 24 24 A F H > S+ 0 0 0 305,-0.6 4,-3.0 -5,-0.3 5,-0.3 0.887 107.5 52.4 -59.8 -38.9 -15.4 80.6 179.5 25 25 A R H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.959 108.1 49.8 -63.8 -48.0 -11.8 81.6 178.7 26 26 A L H X S+ 0 0 26 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.925 115.8 44.5 -53.6 -46.5 -10.8 78.0 177.6 27 27 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.936 116.7 42.1 -66.0 -50.3 -13.9 77.9 175.3 28 28 A L H <>S+ 0 0 2 -4,-3.0 5,-2.3 1,-0.2 3,-0.4 0.850 115.2 50.9 -68.4 -34.2 -13.6 81.4 173.8 29 29 A E H ><5S+ 0 0 71 -4,-3.0 3,-2.6 -5,-0.3 -1,-0.2 0.882 101.3 61.0 -70.8 -35.7 -9.8 81.0 173.3 30 30 A S H 3<5S+ 0 0 19 -4,-1.9 -26,-0.3 -5,-0.3 -1,-0.2 0.786 105.1 51.6 -60.1 -23.7 -10.3 77.7 171.6 31 31 A C T 3<5S- 0 0 0 -4,-0.7 -22,-1.5 -3,-0.4 -21,-0.5 0.268 129.0 -98.5 -94.6 8.5 -12.3 79.7 169.0 32 32 A G T < 5S+ 0 0 25 -3,-2.6 -21,-0.8 1,-0.3 -3,-0.2 0.509 75.8 140.5 90.6 4.8 -9.5 82.2 168.6 33 33 A A < - 0 0 9 -5,-2.3 2,-0.5 -23,-0.2 -1,-0.3 -0.389 45.3-130.0 -80.4 160.3 -10.8 85.0 170.9 34 34 A E E -a 13 0A 122 -22,-2.9 -20,-2.4 -25,-0.2 2,-0.5 -0.940 9.9-138.3-116.2 129.0 -8.5 87.1 173.1 35 35 A C E +a 14 0A 16 -2,-0.5 -20,-0.2 -22,-0.2 3,-0.1 -0.728 25.6 169.4 -86.3 125.9 -9.1 87.7 176.8 36 36 A V E + 0 0 44 -22,-2.3 2,-0.3 -2,-0.5 -21,-0.2 0.321 64.5 19.5-117.3 5.4 -8.5 91.3 177.9 37 37 A Y E -a 15 0A 25 -23,-0.6 -21,-3.6 32,-0.1 2,-0.3 -0.870 56.0-174.1-173.2 138.7 -9.9 91.3 181.4 38 38 A S E -a 16 0A 6 -2,-0.3 20,-2.1 -23,-0.2 2,-0.4 -0.977 3.9-169.6-137.8 150.8 -10.9 88.8 184.1 39 39 A N B +f 58 0B 4 -23,-2.3 -20,-2.5 -2,-0.3 -21,-0.5 -0.991 19.6 143.7-146.2 133.0 -12.6 89.3 187.5 40 40 A E - 0 0 0 18,-2.6 20,-0.1 -2,-0.4 -2,-0.0 -0.857 27.1-160.5-167.2 128.2 -13.1 86.9 190.4 41 41 A W + 0 0 138 -2,-0.3 2,-0.6 18,-0.2 19,-0.1 0.537 58.6 105.7 -97.2 -5.1 -13.1 87.6 194.1 42 42 A D > - 0 0 34 1,-0.2 4,-3.1 17,-0.1 5,-0.2 -0.662 61.9-147.0 -81.0 121.2 -12.5 84.1 195.6 43 43 A K H > S+ 0 0 116 -2,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.900 98.5 42.6 -47.7 -54.4 -8.9 83.8 196.8 44 44 A Y H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 114.1 51.0 -66.2 -37.9 -8.6 80.1 196.0 45 45 A A H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.894 108.9 53.0 -66.3 -38.4 -10.3 80.6 192.6 46 46 A Q H X S+ 0 0 25 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.917 108.0 51.4 -62.5 -40.8 -7.9 83.4 191.9 47 47 A E H X S+ 0 0 72 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.932 112.7 42.9 -62.1 -47.5 -4.9 81.2 192.7 48 48 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.872 112.7 53.8 -68.2 -36.2 -6.0 78.3 190.4 49 49 A Y H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 5,-0.4 0.916 110.1 47.3 -63.6 -42.1 -6.9 80.8 187.6 50 50 A E H X S+ 0 0 93 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.864 107.0 58.3 -67.7 -34.0 -3.4 82.3 187.9 51 51 A M H < S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.903 116.3 33.5 -60.3 -42.2 -1.9 78.8 187.8 52 52 A N H < S+ 0 0 36 -4,-1.8 -2,-0.2 238,-0.1 -1,-0.2 0.674 133.6 24.3 -91.7 -18.5 -3.5 78.1 184.4 53 53 A F H < S- 0 0 39 -4,-1.9 -3,-0.2 2,-0.2 -2,-0.2 0.582 97.0-121.1-121.3 -16.7 -3.5 81.5 182.7 54 54 A G S < S+ 0 0 58 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 0.771 77.4 83.9 83.8 27.4 -0.7 83.4 184.4 55 55 A E S S- 0 0 76 -6,-0.3 -1,-0.2 -9,-0.1 -2,-0.2 -0.981 71.5-120.6-160.2 147.5 -2.6 86.3 185.8 56 56 A K - 0 0 138 -2,-0.3 -18,-0.1 -6,-0.1 -9,-0.1 -0.784 31.5-126.1 -94.5 127.4 -4.6 87.2 188.9 57 57 A P - 0 0 3 0, 0.0 -18,-0.3 0, 0.0 -7,-0.1 -0.370 29.8-102.3 -69.7 151.1 -8.2 88.4 188.3 58 58 A E B -f 39 0B 81 -20,-2.1 -18,-2.6 1,-0.1 3,-0.1 -0.343 44.7-115.4 -68.4 155.2 -9.4 91.7 189.7 59 59 A G + 0 0 30 1,-0.2 -18,-0.2 -20,-0.2 -1,-0.1 0.031 68.9 4.6 -84.4-168.5 -11.6 91.5 192.8 60 60 A D > - 0 0 50 1,-0.2 3,-1.7 -19,-0.1 -1,-0.2 0.389 57.5-153.7 -10.6 101.6 -15.2 92.3 193.9 61 61 A I G > S+ 0 0 5 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.735 89.0 68.4 -60.8 -25.3 -16.9 93.4 190.7 62 62 A T G 3 S+ 0 0 50 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.755 102.5 46.4 -68.8 -19.9 -19.4 95.5 192.7 63 63 A Q G < S+ 0 0 151 -3,-1.7 2,-0.4 -4,-0.1 -1,-0.3 0.189 90.7 104.7-105.6 15.7 -16.6 97.8 193.6 64 64 A V S < S- 0 0 12 -3,-1.4 2,-0.8 -6,-0.1 3,-0.0 -0.821 73.4-125.3 -99.6 135.0 -15.1 98.1 190.1 65 65 A N >> - 0 0 83 -2,-0.4 3,-3.1 1,-0.2 4,-0.5 -0.690 16.1-144.7 -80.3 110.4 -15.6 101.3 188.1 66 66 A E G >4 S+ 0 0 46 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.790 98.9 62.7 -43.8 -37.1 -17.2 100.0 184.8 67 67 A K G 34 S+ 0 0 134 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.794 94.6 64.9 -60.6 -26.8 -15.3 102.8 182.9 68 68 A T G <4 S+ 0 0 83 -3,-3.1 -1,-0.3 2,-0.1 -2,-0.2 0.735 81.2 99.1 -66.9 -26.6 -12.1 101.0 184.1 69 69 A I S << S- 0 0 2 -3,-1.4 3,-0.1 -4,-0.5 -32,-0.1 -0.421 80.7-109.9 -70.4 135.7 -12.9 97.9 182.1 70 70 A P - 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.296 38.4 -94.1 -64.7 144.6 -11.1 97.4 178.8 71 71 A D + 0 0 109 2,-0.0 2,-0.3 -35,-0.0 -57,-0.1 -0.295 56.8 169.8 -56.9 141.8 -13.0 97.7 175.5 72 72 A H - 0 0 6 39,-0.3 -58,-0.2 -3,-0.1 42,-0.2 -0.974 41.5-140.2-153.7 163.5 -14.2 94.3 174.3 73 73 A D S S+ 0 0 12 -60,-2.2 42,-2.4 -2,-0.3 41,-0.8 0.702 89.8 34.5 -99.0 -27.4 -16.4 92.6 171.8 74 74 A I E -bc 14 115A 1 -61,-1.8 -59,-1.8 40,-0.2 2,-0.6 -0.996 63.2-157.0-135.7 132.8 -17.9 89.8 174.0 75 75 A L E -bc 15 116A 0 40,-2.7 42,-3.5 -2,-0.4 2,-0.4 -0.941 13.7-162.7-110.1 119.5 -18.7 89.8 177.6 76 76 A C E +bc 16 117A 0 -61,-2.3 -59,-2.1 -2,-0.6 2,-0.2 -0.853 15.6 164.9-103.7 137.1 -18.8 86.4 179.3 77 77 A A E +bc 17 118A 0 40,-2.5 42,-1.8 -2,-0.4 2,-1.0 -0.760 24.9 177.9-159.0 107.8 -20.5 85.8 182.7 78 78 A G E - c 0 119A 0 -61,-0.8 42,-0.1 -2,-0.2 3,-0.1 -0.777 37.6-166.5-102.0 83.9 -21.6 82.7 184.5 79 79 A F - 0 0 6 -2,-1.0 -2,-0.1 40,-0.5 19,-0.0 -0.224 31.1 -61.8 -77.0 161.8 -22.9 84.6 187.5 80 80 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 21,-0.1 -0.022 43.1-178.1 -41.9 134.0 -23.9 83.2 190.9 81 81 A C >> + 0 0 19 -3,-0.1 3,-2.4 2,-0.1 4,-1.9 0.463 55.7 98.6-115.6 -6.5 -26.7 80.7 191.0 82 82 A Q T 34 S+ 0 0 36 1,-0.3 8,-0.5 2,-0.2 7,-0.3 0.828 85.1 52.8 -52.8 -34.8 -27.1 79.9 194.7 83 83 A A T 34 S+ 0 0 1 14,-0.2 9,-2.1 1,-0.2 -1,-0.3 0.542 117.6 37.3 -79.4 -5.8 -30.0 82.4 194.9 84 84 A F T <4 S+ 0 0 1 -3,-2.4 -2,-0.2 7,-0.1 -1,-0.2 0.525 87.2 112.6-120.2 -13.1 -31.8 80.7 192.0 85 85 A S >< - 0 0 34 -4,-1.9 3,-1.4 1,-0.1 5,-0.4 -0.307 68.2-133.3 -63.2 142.9 -31.0 77.0 192.6 86 86 A I T 3 S+ 0 0 124 1,-0.3 -1,-0.1 3,-0.1 -4,-0.0 0.616 106.7 65.2 -72.6 -8.5 -33.9 74.8 193.5 87 87 A S T 3 S+ 0 0 66 -5,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.581 103.1 49.8 -88.9 -10.6 -31.6 73.4 196.2 88 88 A G S < S- 0 0 43 -3,-1.4 -5,-0.1 -6,-0.1 -6,-0.0 -0.056 106.8 -76.4-107.3-151.7 -31.4 76.7 198.1 89 89 A K - 0 0 167 -7,-0.3 -6,-0.1 -2,-0.1 -3,-0.1 0.554 49.6-139.2 -89.8 -10.5 -33.9 79.4 199.4 90 90 A Q + 0 0 79 -8,-0.5 3,-0.1 -5,-0.4 -7,-0.1 0.789 49.0 149.3 56.7 32.1 -34.6 80.9 196.0 91 91 A K > + 0 0 104 1,-0.2 3,-2.2 2,-0.1 4,-0.1 0.718 28.0 176.6 -66.9 -17.9 -34.5 84.5 197.4 92 92 A G G > + 0 0 0 -9,-2.1 3,-1.9 1,-0.3 6,-0.3 -0.256 64.8 8.2 55.1-124.4 -33.3 85.5 193.9 93 93 A F G 3 S+ 0 0 41 1,-0.3 -1,-0.3 -3,-0.1 5,-0.1 0.668 127.3 62.5 -64.0 -16.3 -32.8 89.2 193.6 94 94 A E G < S+ 0 0 171 -3,-2.2 2,-0.3 -11,-0.1 -1,-0.3 0.431 88.5 89.0 -88.2 1.1 -33.5 89.7 197.3 95 95 A D S X S- 0 0 14 -3,-1.9 3,-1.7 -4,-0.1 4,-0.2 -0.766 84.2-128.1 -97.1 142.9 -30.4 87.6 198.1 96 96 A S T 3 S+ 0 0 105 -2,-0.3 3,-0.5 1,-0.3 -1,-0.1 0.801 113.8 46.9 -61.0 -27.4 -27.0 89.4 198.4 97 97 A R T 3 S+ 0 0 104 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.425 101.6 69.0 -93.5 1.7 -25.6 86.9 195.8 98 98 A G S < S+ 0 0 2 -3,-1.7 3,-0.2 -6,-0.3 -1,-0.2 0.347 84.2 67.2-101.6 8.5 -28.6 87.3 193.5 99 99 A T >> + 0 0 52 -3,-0.5 3,-1.5 -4,-0.2 4,-0.7 0.419 62.6 102.8-107.6 1.8 -28.0 90.9 192.3 100 100 A L H >> + 0 0 14 -3,-0.3 4,-1.8 1,-0.3 3,-0.5 0.756 69.4 71.8 -57.1 -24.5 -24.8 90.4 190.3 101 101 A F H 3> S+ 0 0 1 1,-0.3 4,-2.5 -3,-0.2 -1,-0.3 0.901 93.8 53.9 -59.5 -38.1 -26.8 90.6 187.1 102 102 A F H <> S+ 0 0 84 -3,-1.5 4,-2.3 1,-0.2 -1,-0.3 0.811 103.6 56.0 -67.1 -26.8 -27.3 94.3 187.6 103 103 A D H - 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