==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/DNA 13-DEC-05 2FDG . COMPND 2 MOLECULE: 5'-D(P*TP*(MA7)P*T)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.YU,J.BENACH,W.C.EDSTROM,B.R.GIBNEY,J.F.HUNT,NORTHEAST . 199 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 30.2 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 17 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 1 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 0 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 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 15 A L 0 0 181 0, 0.0 2,-0.3 0, 0.0 151,-0.0 0.000 360.0 360.0 360.0 132.1 54.4 22.9 0.4 2 16 A A > - 0 0 13 3,-0.2 3,-1.8 0, 0.0 2,-0.1 -0.861 360.0-123.1-152.5 109.3 50.9 24.4 0.5 3 17 A A T 3 S+ 0 0 47 -2,-0.3 165,-2.4 1,-0.3 164,-0.2 -0.318 95.5 11.1 -58.6 124.0 50.2 27.6 2.4 4 18 A G T 3 S+ 0 0 39 1,-0.3 161,-0.9 163,-0.2 2,-0.3 0.253 97.3 125.1 91.9 -12.8 47.4 27.3 5.0 5 19 A A E < -A 164 0A 18 -3,-1.8 2,-0.6 159,-0.2 -1,-0.3 -0.652 44.7-161.4 -84.5 133.7 47.4 23.5 4.7 6 20 A V E -A 163 0A 45 157,-2.1 157,-2.3 -2,-0.3 2,-0.6 -0.956 9.3-159.9-117.1 104.3 47.8 21.3 7.8 7 21 A I E -A 162 0A 57 -2,-0.6 2,-0.6 155,-0.2 155,-0.2 -0.815 12.2-180.0 -91.4 116.4 48.8 17.8 6.9 8 22 A L E > -A 161 0A 41 153,-3.3 153,-2.2 -2,-0.6 3,-1.5 -0.761 16.9-156.9-117.4 79.5 48.2 15.2 9.6 9 23 A R T 3 S+ 0 0 143 -2,-0.6 151,-0.2 1,-0.2 150,-0.1 -0.362 73.3 1.0 -63.3 132.8 49.3 11.9 8.1 10 24 A R T > S+ 0 0 127 147,-0.2 3,-1.5 -2,-0.1 4,-0.3 0.549 86.8 134.1 64.4 17.0 47.8 8.7 9.7 11 25 A F T < S+ 0 0 60 -3,-1.5 3,-0.3 1,-0.3 4,-0.2 0.804 73.0 45.8 -62.4 -33.3 45.6 10.8 12.1 12 26 A A T 3> S+ 0 0 0 147,-3.1 4,-1.2 -4,-0.3 -1,-0.3 0.151 79.2 108.6 -99.0 18.6 42.5 8.7 11.3 13 27 A F T <4 S+ 0 0 118 -3,-1.5 4,-0.3 146,-0.3 -1,-0.2 0.870 80.9 45.3 -61.3 -44.1 44.3 5.3 11.6 14 28 A N T 4 S+ 0 0 150 -3,-0.3 3,-0.4 -4,-0.3 4,-0.3 0.871 116.9 44.0 -69.2 -38.6 42.6 4.4 14.9 15 29 A A T > S+ 0 0 20 -4,-0.2 4,-2.2 1,-0.2 3,-0.5 0.614 88.2 99.3 -82.3 -11.3 39.1 5.5 13.8 16 30 A A H X S+ 0 0 1 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.775 78.6 48.5 -43.8 -50.6 39.5 3.9 10.3 17 31 A E H > S+ 0 0 109 -3,-0.4 4,-1.7 -4,-0.3 -1,-0.2 0.894 114.5 45.1 -62.3 -44.1 37.5 0.6 10.9 18 32 A Q H > S+ 0 0 83 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.2 0.852 111.0 55.1 -69.0 -35.3 34.5 2.4 12.5 19 33 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.898 108.0 48.4 -64.2 -41.7 34.6 5.0 9.6 20 34 A I H X S+ 0 0 15 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.870 110.6 50.9 -68.2 -36.4 34.4 2.2 7.0 21 35 A R H X S+ 0 0 135 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.881 112.5 48.1 -66.0 -39.6 31.5 0.6 8.9 22 36 A D H X S+ 0 0 27 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.736 106.7 55.0 -74.3 -25.0 29.8 4.0 8.9 23 37 A I H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 -2,-0.2 0.929 109.2 48.2 -71.9 -44.5 30.4 4.6 5.2 24 38 A N H X S+ 0 0 86 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.829 111.1 51.6 -63.9 -30.7 28.7 1.3 4.4 25 39 A D H X S+ 0 0 107 -4,-1.3 4,-0.6 2,-0.2 3,-0.3 0.888 112.3 44.8 -71.5 -43.1 25.8 2.4 6.7 26 40 A V H >X S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 3,-1.2 0.927 110.9 55.5 -66.2 -43.9 25.5 5.7 4.8 27 41 A A H 3< S+ 0 0 20 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.685 97.6 62.8 -63.2 -23.2 25.7 3.9 1.5 28 42 A S H 3< S+ 0 0 97 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.752 115.7 30.7 -76.2 -24.0 22.8 1.6 2.4 29 43 A Q H << S+ 0 0 79 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.1 0.804 136.4 25.6 -98.3 -44.3 20.4 4.7 2.5 30 44 A S S < S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.1 -0.884 90.0-146.3-123.8 95.4 22.2 6.9 -0.1 31 45 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.129 23.8 -96.5 -62.1 156.1 24.1 4.6 -2.5 32 46 A F + 0 0 28 -5,-0.1 2,-0.3 16,-0.1 16,-0.2 -0.534 51.1 179.6 -70.7 130.5 27.4 5.5 -4.2 33 47 A R B -B 47 0A 25 14,-2.2 14,-3.0 -2,-0.2 2,-1.1 -0.995 36.2-122.4-137.8 145.2 26.6 6.8 -7.7 34 48 A Q - 0 0 107 -2,-0.3 12,-0.2 12,-0.3 10,-0.1 -0.802 43.2-135.0 -88.1 98.6 28.8 8.1 -10.5 35 49 A M - 0 0 6 -2,-1.1 8,-2.6 10,-0.4 2,-0.6 -0.275 7.3-123.1 -59.0 141.1 27.3 11.6 -10.8 36 50 A V B -H 42 0B 77 6,-0.2 6,-0.2 21,-0.1 -1,-0.1 -0.817 24.6-134.2 -91.4 120.0 26.5 13.1 -14.3 37 51 A T > - 0 0 34 4,-2.6 3,-2.8 -2,-0.6 4,-0.1 -0.256 30.0-101.2 -68.0 153.3 28.2 16.4 -14.9 38 52 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.755 122.9 58.7 -49.8 -25.4 26.1 19.3 -16.4 39 53 A G T 3 S- 0 0 61 2,-0.1 -2,-0.1 1,-0.0 20,-0.0 0.458 124.9-100.1 -83.7 -4.3 27.6 18.5 -19.9 40 54 A G S < S+ 0 0 52 -3,-2.8 2,-0.5 1,-0.2 -4,-0.0 0.541 79.6 128.8 98.1 11.3 26.3 15.0 -19.8 41 55 A Y - 0 0 182 -4,-0.1 -4,-2.6 0, 0.0 2,-0.3 -0.871 54.3-129.8-107.2 128.2 29.5 13.0 -18.8 42 56 A T B -H 36 0B 86 -2,-0.5 -6,-0.2 -6,-0.2 -7,-0.1 -0.533 24.9-122.8 -74.8 133.0 29.5 10.5 -15.9 43 57 A M - 0 0 34 -8,-2.6 71,-0.1 -2,-0.3 -1,-0.1 -0.415 6.5-139.0 -73.2 147.5 32.3 11.0 -13.3 44 58 A S S S+ 0 0 48 69,-0.4 2,-0.4 -2,-0.1 65,-0.4 0.777 86.2 79.5 -78.1 -26.5 34.7 8.1 -12.7 45 59 A V S S- 0 0 0 68,-0.5 -10,-0.4 63,-0.1 2,-0.3 -0.686 81.1-136.9 -84.4 127.7 34.6 8.7 -8.9 46 60 A A E - C 0 107A 3 61,-2.1 61,-3.2 -2,-0.4 2,-0.3 -0.681 29.3-168.3 -84.9 136.6 31.5 7.4 -7.2 47 61 A M E +BC 33 106A 5 -14,-3.0 -14,-2.2 -2,-0.3 2,-0.3 -0.870 23.5 154.4-130.4 163.8 30.0 9.7 -4.7 48 62 A T E - C 0 105A 0 57,-1.1 57,-3.1 -2,-0.3 2,-0.3 -0.911 23.2-139.7-166.9 172.8 27.4 10.1 -1.9 49 63 A N E - C 0 104A 0 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.946 8.7-162.1-142.3 168.0 27.0 12.4 1.2 50 64 A C E + C 0 103A 0 53,-1.4 53,-1.6 -2,-0.3 2,-0.2 -0.966 53.2 57.4-148.1 148.3 25.9 12.5 4.8 51 65 A G E S- C 0 102A 8 25,-3.0 51,-0.2 -2,-0.3 24,-0.2 -0.715 101.7 -57.8 121.7-170.8 25.0 15.5 6.9 52 66 A H S S+ 0 0 148 49,-0.9 2,-0.3 -2,-0.2 23,-0.2 0.848 123.3 35.2 -74.0 -37.5 22.2 18.1 6.5 53 67 A L B -d 102 0A 34 48,-2.7 50,-0.5 -3,-0.2 2,-0.3 -0.827 69.5-166.1-117.1 156.9 23.5 19.2 3.1 54 68 A G E -I 65 0C 0 11,-1.5 11,-2.2 -2,-0.3 2,-0.2 -0.980 22.0-117.6-149.5 135.6 25.2 17.3 0.3 55 69 A W E +I 64 0C 20 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.482 44.5 152.5 -72.1 135.9 27.1 18.1 -2.8 56 70 A T E -I 63 0C 7 7,-2.3 7,-2.3 -2,-0.2 2,-0.3 -0.962 41.0-111.2-157.0 163.7 25.6 17.0 -6.1 57 71 A T E +I 62 0C 18 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.712 36.8 169.1 -98.1 149.9 25.5 17.9 -9.8 58 72 A H E > -I 61 0C 70 3,-2.5 3,-0.6 -2,-0.3 0, 0.0 -0.800 49.2 -78.5-144.2-172.3 22.4 19.3 -11.5 59 73 A R T 3 S+ 0 0 215 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 0.955 123.8 38.5 -61.0 -52.7 21.4 20.9 -14.8 60 74 A Q T 3 S- 0 0 180 1,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.309 126.3 -74.6 -85.6 9.0 22.7 24.5 -14.2 61 75 A G E < S-I 58 0C 19 -3,-0.6 -3,-2.5 2,-0.0 2,-0.4 -0.998 74.4 -26.2 143.9-141.9 25.9 23.5 -12.4 62 76 A Y E +I 57 0C 113 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.906 59.3 157.8-117.2 144.0 27.0 22.3 -9.0 63 77 A L E -I 56 0C 65 -7,-2.3 -7,-2.3 -2,-0.4 2,-0.4 -0.977 40.5-108.9-157.6 168.5 25.1 22.8 -5.7 64 78 A Y E -I 55 0C 31 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.0 -0.863 37.5-176.9-102.5 134.7 24.4 21.7 -2.1 65 79 A S E -I 54 0C 29 -11,-2.2 -11,-1.5 -2,-0.4 10,-0.1 -0.985 34.0-143.6-135.2 143.2 21.0 20.1 -1.5 66 80 A P S S+ 0 0 71 0, 0.0 9,-1.0 0, 0.0 2,-0.4 0.620 90.5 66.8 -78.5 -9.2 19.3 18.8 1.6 67 81 A I B S-J 74 0D 70 7,-0.2 -13,-0.1 -13,-0.1 -2,-0.0 -0.880 84.3-126.4-115.8 141.0 17.8 16.1 -0.6 68 82 A D > - 0 0 0 5,-3.2 4,-2.5 -2,-0.4 5,-0.3 -0.775 19.6-150.0 -82.1 114.7 19.6 13.2 -2.4 69 83 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -13,-0.0 0.629 91.8 49.6 -65.2 -13.8 18.4 13.6 -6.1 70 84 A Q T 4 S+ 0 0 105 3,-0.1 -40,-0.0 -39,-0.1 -2,-0.0 0.906 123.9 25.8 -88.3 -50.9 18.6 9.8 -6.8 71 85 A T T 4 S- 0 0 37 2,-0.2 -1,-0.1 -40,-0.1 -41,-0.0 0.674 92.9-139.8 -84.6 -20.4 16.7 8.4 -3.7 72 86 A N S < S+ 0 0 123 -4,-2.5 -1,-0.0 1,-0.3 -5,-0.0 0.555 71.2 108.5 65.4 15.2 14.6 11.7 -3.4 73 87 A K S S- 0 0 107 -5,-0.3 -5,-3.2 1,-0.1 -1,-0.3 -0.610 82.3 -87.2-108.9 163.1 15.1 11.2 0.4 74 88 A P B -J 67 0D 74 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.331 50.7 -92.6 -73.0 163.4 17.4 13.3 2.5 75 89 A W - 0 0 10 -9,-1.0 -25,-0.2 -23,-0.2 3,-0.1 -0.426 54.8 -91.9 -67.3 149.2 21.1 12.5 2.9 76 90 A P - 0 0 7 0, 0.0 -25,-3.0 0, 0.0 -1,-0.1 -0.204 49.6 -90.9 -61.1 158.0 21.9 10.2 5.9 77 91 A A - 0 0 83 -27,-0.2 3,-0.1 1,-0.1 -25,-0.0 -0.393 49.1 -97.1 -67.1 148.6 22.8 11.9 9.2 78 92 A M - 0 0 18 -28,-0.1 -1,-0.1 -3,-0.1 5,-0.0 -0.578 47.2-115.1 -69.2 122.8 26.5 12.5 9.7 79 93 A P > - 0 0 19 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.213 15.2-120.1 -58.6 153.4 27.8 9.6 11.8 80 94 A Q H > S+ 0 0 132 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.912 115.3 56.3 -61.9 -37.8 29.1 10.3 15.3 81 95 A S H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.804 107.7 49.1 -62.5 -34.4 32.5 8.9 14.3 82 96 A F H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.951 112.9 45.9 -69.3 -51.3 32.6 11.3 11.4 83 97 A H H X S+ 0 0 60 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.905 113.9 49.6 -57.8 -45.4 31.8 14.3 13.7 84 98 A N H X S+ 0 0 89 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.863 112.9 44.9 -63.9 -42.7 34.3 13.2 16.3 85 99 A L H X S+ 0 0 1 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.896 113.9 49.0 -70.0 -43.1 37.2 12.8 13.9 86 100 A C H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.891 111.2 50.7 -64.1 -39.0 36.5 16.1 12.1 87 101 A Q H X S+ 0 0 74 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.915 112.7 45.8 -65.7 -42.6 36.3 17.9 15.4 88 102 A R H X S+ 0 0 118 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.916 115.7 46.6 -66.6 -42.1 39.7 16.5 16.5 89 103 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.920 114.3 46.2 -65.6 -46.9 41.3 17.2 13.2 90 104 A A H <>S+ 0 0 0 -4,-2.8 5,-2.9 2,-0.2 4,-0.5 0.878 112.5 50.3 -64.8 -41.0 40.0 20.8 12.9 91 105 A T H ><5S+ 0 0 73 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.894 108.8 51.8 -65.8 -40.6 40.9 21.6 16.6 92 106 A A H 3<5S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.735 109.7 52.4 -68.5 -21.2 44.5 20.3 16.1 93 107 A A T 3<5S- 0 0 19 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.503 126.6 -95.3 -92.8 -9.8 44.7 22.5 13.0 94 108 A G T < 5S+ 0 0 57 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.641 98.1 103.7 102.2 19.2 43.7 25.7 14.7 95 109 A Y > < + 0 0 69 -5,-2.9 3,-1.1 -6,-0.1 -3,-0.1 -0.572 27.5 153.3-129.2 68.5 40.0 25.7 13.8 96 110 A P T 3 S+ 0 0 70 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 0.678 74.0 58.5 -72.5 -13.7 38.1 24.6 17.0 97 111 A D T 3 S+ 0 0 137 -7,-0.1 2,-0.2 -3,-0.1 -10,-0.0 0.467 75.1 121.9 -91.8 -5.2 34.9 26.4 15.9 98 112 A F < + 0 0 8 -3,-1.1 -8,-0.1 -11,-0.1 -7,-0.1 -0.436 35.5 177.4 -64.5 120.1 34.6 24.5 12.6 99 113 A Q - 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