==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 19-MAR-98 1A74 . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.L.JURICA,K.E.FLICK,R.J.MONNAT JUNIOR,M.S.STODDARD . 324 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 21.3 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 2 A A 0 0 12 0, 0.0 3,-0.1 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 164.9 -12.5 38.2 34.7 2 3 A L + 0 0 153 1,-0.3 2,-0.2 0, 0.0 0, 0.0 0.401 360.0 70.7-148.4 -43.1 -12.5 37.8 38.4 3 4 A T S >> S- 0 0 66 1,-0.1 4,-1.9 4,-0.0 3,-0.5 -0.520 84.9-118.1 -83.2 154.4 -15.1 35.2 39.4 4 5 A N H 3> S+ 0 0 118 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.853 117.5 54.6 -58.8 -34.0 -14.6 31.5 38.6 5 6 A A H 3> S+ 0 0 71 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.821 108.0 48.9 -68.6 -32.2 -17.8 31.7 36.4 6 7 A Q H <> S+ 0 0 59 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.811 110.0 50.6 -76.9 -31.2 -16.3 34.7 34.5 7 8 A I H X S+ 0 0 19 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.839 107.2 54.8 -73.4 -33.9 -13.0 32.8 34.0 8 9 A L H X S+ 0 0 53 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.920 107.3 50.3 -64.0 -42.1 -14.9 29.8 32.7 9 10 A A H X S+ 0 0 57 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.875 109.5 50.8 -63.6 -37.9 -16.6 32.1 30.2 10 11 A V H X S+ 0 0 6 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.915 111.4 48.0 -65.9 -41.6 -13.2 33.4 29.1 11 12 A I H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.920 110.5 52.2 -64.3 -43.4 -11.9 29.8 28.7 12 13 A D H X S+ 0 0 67 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.897 110.3 46.5 -59.6 -43.8 -15.1 28.9 26.7 13 14 A S H X S+ 0 0 38 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.786 111.5 53.0 -70.8 -27.4 -14.6 31.8 24.3 14 15 A W H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.927 110.3 46.3 -72.1 -45.6 -10.9 30.9 23.9 15 16 A E H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.874 110.6 54.7 -63.1 -39.1 -11.7 27.3 23.0 16 17 A E H < S+ 0 0 102 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.910 113.9 40.1 -61.0 -45.0 -14.4 28.5 20.6 17 18 A T H >< S+ 0 0 23 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.906 117.1 46.8 -73.1 -44.6 -11.9 30.7 18.7 18 19 A V H >< S+ 0 0 0 -4,-2.9 3,-2.5 1,-0.2 -2,-0.2 0.860 101.1 68.2 -66.6 -32.8 -8.9 28.3 18.8 19 20 A G T 3< S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.770 99.1 51.6 -57.1 -24.6 -11.3 25.5 17.7 20 21 A Q T < S+ 0 0 146 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.373 83.0 113.0 -94.8 3.8 -11.5 27.3 14.3 21 22 A F S < S- 0 0 9 -3,-2.5 22,-0.1 1,-0.1 29,-0.0 -0.436 90.6 -80.7 -70.4 149.0 -7.7 27.6 13.9 22 23 A P - 0 0 77 0, 0.0 20,-2.1 0, 0.0 2,-0.7 -0.321 47.0-138.2 -53.3 128.5 -6.5 25.5 11.0 23 24 A V E -A 41 0A 63 18,-0.2 2,-0.5 -3,-0.1 18,-0.2 -0.838 21.1-164.4 -94.7 116.2 -6.2 21.9 12.2 24 25 A I E -A 40 0A 64 16,-3.4 16,-2.6 -2,-0.7 2,-0.6 -0.878 12.6-138.8-108.2 131.5 -3.0 20.3 11.0 25 26 A T E -A 39 0A 75 -2,-0.5 2,-0.4 14,-0.2 14,-0.2 -0.750 23.2-174.3 -90.0 121.0 -2.3 16.6 11.0 26 27 A H E -A 38 0A 61 12,-3.0 12,-2.6 -2,-0.6 2,-0.6 -0.934 20.2-142.3-119.0 138.6 1.2 15.6 12.0 27 28 A H E +A 37 0A 134 -2,-0.4 10,-0.2 10,-0.2 -2,-0.0 -0.882 33.4 178.7 -99.8 120.5 2.8 12.2 12.0 28 29 A V E -A 36 0A 7 8,-1.8 8,-3.6 -2,-0.6 2,-0.3 -0.872 32.8-106.5-127.6 155.4 5.1 11.8 15.0 29 30 A P E -A 35 0A 39 0, 0.0 111,-3.4 0, 0.0 6,-0.2 -0.617 23.3-174.0 -78.4 135.9 7.4 9.3 16.6 30 31 A L E - 0 0 27 4,-2.5 98,-2.9 -2,-0.3 99,-0.5 0.476 49.6-101.3-105.1 -7.9 6.0 7.8 19.8 31 32 A G E > S+A 34 0A 1 3,-0.8 3,-1.3 97,-0.2 -1,-0.3 -0.129 99.2 69.4 101.2 158.7 9.1 5.9 20.7 32 33 A G T 3 S- 0 0 63 1,-0.3 3,-0.1 97,-0.1 97,-0.1 0.795 127.4 -68.5 68.4 27.5 9.7 2.1 20.3 33 34 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 96,-0.0 2,-0.2 0.462 103.5 134.1 70.7 -0.6 9.9 2.6 16.5 34 35 A L E < -A 31 0A 88 -3,-1.3 -4,-2.5 94,-0.1 -3,-0.8 -0.530 44.5-148.5 -85.1 149.5 6.2 3.4 16.6 35 36 A Q E -A 29 0A 128 -6,-0.2 2,-0.2 -2,-0.2 -8,-0.0 -0.922 17.0-178.9-117.9 141.8 4.5 6.3 14.7 36 37 A G E -A 28 0A 12 -8,-3.6 -8,-1.8 -2,-0.4 2,-0.4 -0.685 23.1-116.1-129.0-176.3 1.5 8.2 15.7 37 38 A T E -A 27 0A 66 -10,-0.2 2,-0.4 -2,-0.2 -10,-0.2 -0.988 22.0-174.8-129.6 133.9 -0.8 11.1 14.7 38 39 A L E -A 26 0A 8 -12,-2.6 -12,-3.0 -2,-0.4 2,-0.7 -0.986 14.8-147.5-127.9 136.2 -1.3 14.4 16.4 39 40 A H E -A 25 0A 53 -2,-0.4 2,-0.4 -14,-0.2 285,-0.3 -0.875 17.9-164.4-111.0 104.5 -3.8 17.1 15.3 40 41 A C E -A 24 0A 2 -16,-2.6 -16,-3.4 -2,-0.7 2,-1.0 -0.712 17.7-148.6 -94.9 134.5 -2.6 20.6 16.0 41 42 A Y E -A 23 0A 16 -2,-0.4 64,-3.0 -18,-0.2 2,-0.4 -0.845 32.6-160.0 -99.3 95.6 -4.8 23.7 16.1 42 43 A E B -B 104 0B 20 -20,-2.1 62,-0.2 -2,-1.0 3,-0.1 -0.687 16.1-130.3 -92.1 128.1 -2.3 26.3 14.8 43 44 A I - 0 0 0 60,-2.7 7,-0.1 -2,-0.4 6,-0.1 -0.460 44.5 -94.3 -69.1 136.9 -2.4 30.0 15.2 44 45 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.052 24.9-121.1 -51.2 154.4 -1.8 31.8 11.8 45 46 A L S S+ 0 0 125 -3,-0.1 2,-0.3 1,-0.1 4,-0.1 0.703 92.8 13.9 -71.1 -21.5 1.7 33.0 10.9 46 47 A A S S- 0 0 60 2,-0.2 -1,-0.1 3,-0.0 0, 0.0 -0.962 101.1 -28.4-150.4 163.9 0.6 36.6 10.6 47 48 A A S S+ 0 0 77 -2,-0.3 2,-0.1 2,-0.1 -2,-0.1 -0.221 102.7 51.9 -59.5 144.6 -2.4 38.9 11.5 48 49 A P + 0 0 116 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.553 62.1 164.5 -81.2 152.3 -5.2 38.4 11.9 49 50 A Y - 0 0 30 4,-0.5 2,-0.2 1,-0.3 5,-0.1 0.768 57.2 -69.3-100.7 -34.9 -4.8 35.5 14.3 50 51 A G > - 0 0 28 3,-0.4 3,-2.6 -7,-0.1 -1,-0.3 -0.729 69.1 -46.2 152.8 159.3 -8.3 35.2 15.8 51 52 A V T 3 S+ 0 0 92 1,-0.3 -34,-0.1 -2,-0.2 3,-0.1 -0.292 127.8 8.0 -54.7 119.2 -10.7 37.1 18.0 52 53 A G T 3 S+ 0 0 20 1,-0.2 12,-2.5 11,-0.1 2,-0.4 0.309 102.5 120.3 93.1 -6.2 -8.8 38.2 21.1 53 54 A F E < +C 63 0C 17 -3,-2.6 -4,-0.5 10,-0.2 -3,-0.4 -0.769 29.4 165.9-102.2 137.4 -5.3 37.2 19.8 54 55 A A E -C 62 0C 53 8,-1.9 8,-2.3 -2,-0.4 2,-0.5 -0.998 33.2-120.7-146.0 141.3 -2.2 39.4 19.3 55 56 A K E +C 61 0C 83 -2,-0.3 6,-0.3 6,-0.2 -8,-0.0 -0.718 28.1 170.4 -87.7 121.5 1.5 38.5 18.7 56 57 A N E S+ 0 0 87 4,-1.4 5,-0.2 -2,-0.5 -1,-0.1 0.465 70.1 13.7-105.5 -4.7 3.9 39.9 21.3 57 58 A G E > S-C 60 0C 14 3,-1.6 3,-1.9 1,-0.1 -1,-0.2 -0.985 92.1 -84.3-162.1 163.3 6.9 37.9 20.1 58 59 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.847 131.8 5.4 -39.1 -45.9 8.3 35.8 17.1 59 60 A T T 3 S+ 0 0 71 -3,-0.0 2,-0.4 2,-0.0 -4,-0.0 -0.192 114.0 99.8-135.2 42.7 6.5 32.8 18.7 60 61 A R E < +C 57 0C 117 -3,-1.9 -3,-1.6 16,-0.0 -4,-1.4 -0.994 44.0 177.1-130.3 134.9 4.7 34.4 21.6 61 62 A W E -C 55 0C 6 -2,-0.4 15,-3.1 -6,-0.3 2,-0.3 -0.931 12.9-152.7-136.1 160.9 1.0 35.4 21.7 62 63 A Q E -CD 54 75C 49 -8,-2.3 -8,-1.9 -2,-0.3 2,-0.4 -0.949 9.1-141.9-133.2 151.3 -1.5 36.8 24.2 63 64 A Y E -CD 53 74C 1 11,-3.2 11,-2.6 -2,-0.3 2,-0.4 -0.957 21.9-169.1-114.4 133.0 -5.2 36.5 24.6 64 65 A K E + D 0 73C 100 -12,-2.5 2,-0.3 -2,-0.4 9,-0.2 -0.978 12.2 170.4-130.9 137.0 -7.2 39.6 25.6 65 66 A R E - D 0 72C 80 7,-2.0 7,-2.2 -2,-0.4 2,-0.7 -0.992 24.4-143.3-140.8 143.1 -10.8 40.2 26.8 66 67 A T E + D 0 71C 82 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.938 24.1 174.0-110.0 110.3 -12.5 43.2 28.3 67 68 A I S S- 0 0 52 3,-1.4 2,-0.2 -2,-0.7 -1,-0.2 0.985 73.5 -3.4 -80.1 -72.3 -15.0 42.1 30.9 68 69 A N S S- 0 0 115 2,-0.3 -1,-0.2 -67,-0.0 3,-0.1 -0.560 124.9 -60.9-123.8 62.7 -16.5 45.1 32.7 69 70 A Q S S+ 0 0 195 -2,-0.2 2,-0.5 1,-0.2 -3,-0.0 0.290 113.9 106.1 78.8 -10.8 -14.6 47.9 31.1 70 71 A V - 0 0 74 2,-0.0 -3,-1.4 0, 0.0 -2,-0.3 -0.886 69.2-128.6-107.1 131.5 -11.3 46.6 32.4 71 72 A V E -D 66 0C 87 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.541 21.5-165.8 -77.3 136.5 -8.9 44.9 30.0 72 73 A H E -D 65 0C 48 -7,-2.2 -7,-2.0 -2,-0.3 2,-0.4 -0.979 4.3-172.9-124.9 135.8 -7.5 41.4 30.8 73 74 A R E +D 64 0C 142 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.993 5.7 174.3-133.3 135.1 -4.5 39.8 29.1 74 75 A W E -D 63 0C 39 -11,-2.6 -11,-3.2 -2,-0.4 5,-0.1 -0.942 42.8 -91.2-133.8 155.3 -3.1 36.3 29.4 75 76 A G E >> -D 62 0C 21 -2,-0.3 3,-1.3 -13,-0.2 4,-0.6 -0.403 47.2-110.4 -62.5 146.3 -0.4 34.4 27.6 76 77 A S T 34 S+ 0 0 0 -15,-3.1 3,-0.3 1,-0.3 -14,-0.1 0.810 113.5 36.7 -46.1 -46.7 -1.8 32.6 24.6 77 78 A H T 34 S+ 0 0 3 -16,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.430 102.7 73.8 -92.9 0.3 -1.4 29.0 26.0 78 79 A T T X4 S+ 0 0 32 -3,-1.3 3,-1.5 1,-0.2 -1,-0.2 0.657 70.2 87.9 -88.6 -15.9 -2.2 29.8 29.6 79 80 A V G >< S+ 0 0 0 -4,-0.6 3,-1.5 -3,-0.3 4,-0.2 0.829 80.7 57.9 -52.8 -41.9 -6.0 30.2 29.3 80 81 A P G 3 S+ 0 0 9 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.748 108.9 48.1 -65.1 -17.3 -6.9 26.6 29.8 81 82 A F G X S+ 0 0 3 -3,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.182 72.1 114.0-109.0 18.8 -5.2 26.6 33.2 82 83 A L T < S+ 0 0 46 -3,-1.5 -1,-0.2 1,-0.3 -3,-0.1 0.679 80.2 49.2 -62.5 -20.3 -6.7 29.8 34.6 83 84 A L T 3 S+ 0 0 72 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.236 99.5 82.7-104.7 12.0 -8.5 27.8 37.3 84 85 A E S < S- 0 0 64 -3,-1.8 230,-0.1 1,-0.1 -3,-0.0 -0.711 95.3 -78.1-112.1 163.2 -5.5 25.7 38.4 85 86 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 228,-0.1 -0.316 35.6-146.6 -56.7 144.8 -2.7 26.6 40.9 86 87 A D S S+ 0 0 108 -4,-0.1 7,-2.8 -3,-0.1 2,-0.3 0.396 76.0 33.3 -97.5 3.0 -0.1 28.8 39.2 87 88 A N E -E 92 0D 85 5,-0.3 2,-0.3 27,-0.0 5,-0.2 -0.976 58.7-170.0-150.4 159.8 2.9 27.4 41.0 88 89 A I E > S+E 91 0D 52 3,-2.4 3,-2.5 -2,-0.3 223,-0.1 -0.966 75.2 0.5-153.3 137.8 4.1 24.1 42.4 89 90 A N T 3 S- 0 0 125 -2,-0.3 3,-0.1 1,-0.3 222,-0.0 0.816 132.5 -56.5 50.5 34.2 7.1 23.3 44.7 90 91 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.644 115.5 118.4 75.6 14.9 7.9 27.0 44.6 91 92 A K E < -E 88 0D 97 -3,-2.5 -3,-2.4 23,-0.0 -1,-0.2 -0.930 68.7-111.5-119.6 141.2 8.1 27.0 40.8 92 93 A T E -E 87 0D 102 -2,-0.4 23,-0.5 -5,-0.2 2,-0.3 -0.409 33.1-121.8 -67.8 136.4 5.9 28.9 38.4 93 94 A C E -F 114 0E 5 -7,-2.8 2,-0.3 21,-0.2 21,-0.2 -0.614 32.3-170.1 -81.1 138.6 3.6 26.8 36.2 94 95 A T E -F 113 0E 28 19,-3.8 19,-2.1 -2,-0.3 2,-0.7 -0.919 31.3-101.3-130.0 154.4 4.1 27.1 32.5 95 96 A A E -F 112 0E 20 -2,-0.3 2,-0.6 17,-0.2 17,-0.2 -0.660 39.9-161.4 -77.7 114.1 2.1 25.9 29.4 96 97 A S E -F 111 0E 1 15,-3.1 15,-1.7 -2,-0.7 2,-0.7 -0.880 12.4-138.3-104.1 117.6 4.0 22.9 28.2 97 98 A H E > -F 110 0E 25 -2,-0.6 3,-0.5 13,-0.2 13,-0.3 -0.640 12.5-169.2 -76.1 110.6 3.3 21.8 24.6 98 99 A L T 3 S+ 0 0 1 11,-3.5 41,-0.4 -2,-0.7 40,-0.4 0.803 92.4 48.9 -68.9 -25.8 3.0 18.0 24.6 99 100 A C T 3 S- 0 0 8 10,-0.9 -1,-0.2 2,-0.2 3,-0.1 0.590 104.7-132.1 -87.8 -14.4 3.1 18.2 20.8 100 101 A H < + 0 0 44 -3,-0.5 2,-0.6 9,-0.3 -2,-0.1 0.783 65.8 127.3 65.4 30.2 6.2 20.5 20.7 101 102 A N > - 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