==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 06-FEB-07 2OST . COMPND 2 MOLECULE: SYNTHETIC DNA 29 MER; . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.ZHAO,R.P.BONOCORA,D.A.SHUB,B.L.STODDARD . 567 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 22.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.2 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 . 5 0.9 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 . 1 0.2 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 . 61 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 0 4 0 0 1 0 1 0 2 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 5 2 9 3 5 4 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 . 2 4 1 0 0 0 0 1 0 0 1 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 0 A M 0 0 226 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.9 44.4 7.2 48.7 2 1 A G + 0 0 67 1,-0.1 2,-0.1 457,-0.0 457,-0.0 -0.224 360.0 154.4 -49.8 123.5 43.1 10.8 49.4 3 2 A S > + 0 0 87 3,-0.1 3,-1.5 4,-0.0 2,-0.4 -0.470 23.9 34.5-138.1-161.3 45.8 12.6 51.3 4 3 A T T >> S+ 0 0 124 1,-0.3 4,-1.9 -2,-0.1 3,-0.6 -0.193 112.9 39.4 42.5 -94.5 47.6 15.8 52.4 5 4 A K H 3> S+ 0 0 77 -2,-0.4 4,-2.2 1,-0.3 -1,-0.3 0.769 112.6 59.0 -55.1 -31.1 45.0 18.6 52.7 6 5 A L H <> S+ 0 0 26 -3,-1.5 4,-1.5 2,-0.2 -1,-0.3 0.955 106.6 46.6 -60.2 -51.8 42.5 16.2 54.3 7 6 A K H <> S+ 0 0 86 -3,-0.6 4,-2.2 1,-0.2 3,-0.3 0.899 113.1 50.0 -57.1 -44.3 45.0 15.4 57.1 8 7 A G H X S+ 0 0 33 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.851 109.4 51.1 -62.6 -37.2 45.6 19.1 57.6 9 8 A D H X S+ 0 0 9 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.731 108.6 52.0 -74.2 -23.7 41.8 19.8 57.7 10 9 A I H X S+ 0 0 14 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.927 110.3 46.9 -74.6 -48.8 41.4 17.1 60.3 11 10 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.885 112.5 51.3 -57.9 -41.2 44.1 18.6 62.6 12 11 A Q H X S+ 0 0 23 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.902 109.6 50.3 -60.0 -42.0 42.5 22.0 62.0 13 12 A Q H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.820 107.0 54.1 -69.1 -32.8 39.1 20.5 63.0 14 13 A A H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.927 108.1 49.4 -65.1 -45.4 40.7 19.0 66.2 15 14 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.805 105.4 59.5 -61.7 -32.0 42.0 22.4 67.2 16 15 A I H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.929 109.2 42.6 -60.2 -46.4 38.5 23.8 66.5 17 16 A M H X S+ 0 0 48 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.869 111.3 53.7 -73.8 -39.1 37.0 21.4 69.2 18 17 A R H X S+ 0 0 65 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.967 110.6 47.1 -54.4 -56.1 39.8 22.0 71.7 19 18 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.7 0.877 113.1 48.9 -53.9 -45.2 39.3 25.8 71.6 20 19 A L H ><5S+ 0 0 3 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.879 107.6 54.2 -63.4 -40.9 35.5 25.4 71.9 21 20 A K H 3<5S+ 0 0 117 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.589 105.1 54.7 -74.7 -9.9 35.8 23.0 74.9 22 21 A M T <<5S- 0 0 73 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.211 122.3-109.5-100.5 9.1 37.9 25.6 76.6 23 22 A G T < 5S+ 0 0 55 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.640 72.3 139.7 74.6 16.3 35.1 28.1 76.1 24 23 A W < - 0 0 19 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.508 55.4-109.4 -86.6 158.8 37.0 30.2 73.5 25 24 A G E -A 41 0A 3 16,-2.5 16,-2.0 -2,-0.2 2,-0.4 -0.587 29.0-148.3 -80.3 149.8 35.6 31.7 70.4 26 25 A V E -A 40 0A 1 14,-0.2 302,-1.5 -2,-0.2 2,-0.5 -0.988 10.5-169.0-127.1 125.8 36.6 30.2 67.0 27 26 A L E -AB 39 327A 0 12,-2.3 12,-1.6 -2,-0.4 309,-0.0 -0.962 5.0-159.7-117.8 124.7 37.0 32.2 63.8 28 27 A K E - B 0 326A 59 298,-3.2 298,-4.2 -2,-0.5 10,-0.1 -0.870 18.2-133.3-102.3 136.5 37.4 30.6 60.4 29 28 A P E - B 0 325A 32 0, 0.0 296,-0.2 0, 0.0 3,-0.0 -0.373 23.3 -94.7 -87.4 162.0 38.9 32.5 57.4 30 29 A L S S- 0 0 31 294,-2.1 2,-0.2 -2,-0.1 295,-0.1 0.880 83.7 -48.2 -21.5 -88.0 38.1 33.1 53.7 31 30 A G S > S- 0 0 15 147,-0.1 2,-2.3 148,-0.0 3,-0.8 -0.816 80.2 -53.1-150.1-168.8 40.2 30.5 52.0 32 31 A D T 3 S+ 0 0 71 -2,-0.2 121,-0.1 1,-0.2 5,-0.1 -0.352 100.9 91.8 -80.2 65.3 43.8 29.2 52.0 33 32 A R T 3 + 0 0 65 -2,-2.3 -1,-0.2 3,-0.1 2,-0.2 0.485 63.5 86.1-129.2 -10.5 45.6 32.5 51.4 34 33 A L S < S- 0 0 43 -3,-0.8 52,-0.0 2,-0.2 0, 0.0 -0.579 80.1-120.0 -94.6 158.7 46.4 33.8 55.0 35 34 A S S S+ 0 0 25 -2,-0.2 2,-0.3 51,-0.1 -1,-0.1 0.330 94.8 56.3 -80.2 9.4 49.4 32.9 57.1 36 35 A Y - 0 0 4 1,-0.1 14,-0.2 14,-0.1 -2,-0.2 -0.989 62.2-154.5-142.2 150.3 47.1 31.4 59.8 37 36 A D S S+ 0 0 42 12,-1.6 2,-0.3 -2,-0.3 13,-0.2 0.849 77.1 11.9 -93.2 -38.8 44.4 28.7 59.9 38 37 A L E - C 0 49A 0 11,-2.0 11,-3.1 -10,-0.1 2,-0.4 -0.924 57.4-145.9-137.0 158.5 42.2 29.7 62.9 39 38 A V E -AC 27 48A 0 -12,-1.6 -12,-2.3 -2,-0.3 2,-0.5 -0.980 15.5-152.3-129.2 121.6 41.7 32.6 65.2 40 39 A F E -AC 26 47A 0 7,-2.5 7,-2.7 -2,-0.4 2,-0.9 -0.785 8.3-144.7 -92.7 128.2 40.8 32.1 68.8 41 40 A D E -AC 25 46A 15 -16,-2.0 -16,-2.5 -2,-0.5 2,-0.6 -0.847 24.4-174.3 -86.1 107.2 38.8 34.7 70.7 42 41 A V E > - C 0 45A 3 3,-3.4 3,-2.3 -2,-0.9 -18,-0.1 -0.926 68.2 -31.5-109.7 112.1 40.3 34.4 74.2 43 42 A E T 3 S- 0 0 183 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.865 126.4 -46.7 44.3 45.1 38.5 36.5 76.8 44 43 A G T 3 S+ 0 0 29 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.095 118.9 107.7 91.8 -23.0 37.7 39.1 74.1 45 44 A I E < -C 42 0A 37 -3,-2.3 -3,-3.4 102,-0.0 2,-0.5 -0.733 64.3-135.3 -92.5 136.6 41.2 39.2 72.6 46 45 A L E -C 41 0A 25 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.813 23.1-177.0 -96.1 125.8 41.8 37.6 69.2 47 46 A L E -C 40 0A 2 -7,-2.7 -7,-2.5 -2,-0.5 2,-0.4 -0.970 20.5-129.3-125.2 142.0 44.9 35.5 68.7 48 47 A K E -C 39 0A 18 -2,-0.4 41,-2.4 -9,-0.2 40,-2.3 -0.716 20.9-165.0 -94.9 130.3 46.0 33.8 65.5 49 48 A V E -Cd 38 89A 1 -11,-3.1 -11,-2.0 -2,-0.4 -12,-1.6 -0.927 11.8-153.1-118.6 141.1 46.9 30.1 65.3 50 49 A Q E - d 0 90A 13 39,-2.7 41,-2.3 -2,-0.4 2,-0.4 -0.947 19.4-151.4-110.3 114.1 48.8 28.1 62.7 51 50 A V E + d 0 91A 8 -2,-0.6 2,-0.4 39,-0.2 41,-0.2 -0.698 17.1 176.3 -92.5 134.4 47.8 24.4 62.7 52 51 A K E - d 0 92A 42 39,-2.1 41,-2.1 -2,-0.4 2,-0.5 -0.987 20.5-144.3-139.1 129.9 50.1 21.7 61.6 53 52 A S E - d 0 93A 21 -2,-0.4 41,-0.2 39,-0.2 -45,-0.1 -0.812 23.4-140.5 -95.1 126.6 49.5 17.9 61.6 54 53 A S - 0 0 7 39,-2.6 2,-0.3 -2,-0.5 41,-0.2 -0.221 6.5-138.7 -82.8 169.3 52.6 15.8 62.4 55 54 A W E -L 64 0B 110 9,-1.4 9,-1.8 39,-0.1 2,-0.8 -0.980 24.2-106.9-131.4 145.9 53.8 12.5 61.0 56 55 A K E -L 63 0B 122 -2,-0.3 2,-1.2 7,-0.2 7,-0.2 -0.582 30.1-145.3 -71.4 107.2 55.3 9.4 62.5 57 56 A S E >> -L 62 0B 29 5,-3.4 4,-2.7 -2,-0.8 5,-0.8 -0.657 11.7-160.6 -78.2 98.1 59.0 9.5 61.6 58 57 A E T 45S+ 0 0 171 -2,-1.2 -1,-0.2 1,-0.2 5,-0.0 0.781 83.3 49.1 -56.0 -38.8 59.6 5.8 61.2 59 58 A K T 45S+ 0 0 192 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.932 123.4 29.7 -66.7 -47.1 63.4 5.9 61.5 60 59 A T T 45S- 0 0 43 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.611 97.4-129.5 -93.0 -15.8 63.5 8.0 64.7 61 60 A G T <5 + 0 0 40 -4,-2.7 2,-0.2 1,-0.3 -3,-0.2 0.724 68.6 117.4 72.2 23.0 60.2 6.9 66.3 62 61 A N E < -L 57 0B 8 -5,-0.8 -5,-3.4 -7,-0.1 2,-0.5 -0.700 67.9-118.3-114.8 166.6 59.1 10.6 66.8 63 62 A Y E -LM 56 117B 25 54,-2.2 54,-2.7 -7,-0.2 2,-0.3 -0.931 41.9-174.0-104.3 132.1 56.3 12.8 65.5 64 63 A V E -LM 55 116B 0 -9,-1.8 -9,-1.4 -2,-0.5 2,-0.3 -0.905 20.0-169.7-134.1 152.6 57.6 15.7 63.5 65 64 A V E - 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