==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR/DNA 27-MAY-93 1HUT . COMPND 2 MOLECULE: DNA 5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP* . SOURCE 2 SYNTHETIC: YES; . AUTHOR K.PADMANABHAN,K.P.PADMANABHAN,J.D.FERRARA,J.E.SADLER,A.TULIN . 290 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12940.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 1.0 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 . 35 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 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 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 8 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 1HL T 0 0 29 0, 0.0 4,-0.3 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0-136.5 8.6 32.0 39.6 2 1GL F > - 0 0 83 3,-0.2 3,-1.3 1,-0.2 155,-0.7 0.645 360.0 -24.1 -41.9-158.7 10.9 31.7 42.6 3 1FL G B 3 S-a 157 0A 27 1,-0.3 -1,-0.2 153,-0.1 156,-0.1 -0.366 127.9 -23.9 -65.0 129.3 13.4 28.9 42.9 4 1EL S T 3 S+ 0 0 34 153,-1.0 5,-0.4 1,-0.2 -1,-0.3 0.750 108.9 141.4 44.3 22.1 12.8 25.5 41.0 5 1DL G < + 0 0 30 -3,-1.3 -3,-0.2 -4,-0.3 -1,-0.2 -0.155 29.6 75.6-100.3 20.0 9.4 27.2 41.4 6 1CL E S S- 0 0 71 -5,-0.2 -1,-0.2 148,-0.1 -4,-0.1 0.856 108.4-100.3 -79.0 -69.0 7.3 26.7 38.3 7 1BL A S S+ 0 0 77 -3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 -0.080 113.0 17.3 178.6 -39.3 6.5 23.1 39.1 8 1AL D S > S+ 0 0 35 3,-0.0 3,-0.8 146,-0.0 -3,-0.1 -0.602 85.8 172.3-148.0 63.2 9.0 21.6 36.7 9 1 L a T 3 + 0 0 1 -5,-0.4 146,-0.3 1,-0.2 243,-0.1 -0.388 65.4 13.9 -69.4 164.7 11.3 24.5 36.1 10 2 L G T 3 S+ 0 0 0 144,-0.6 241,-0.5 240,-0.2 2,-0.5 0.545 90.8 120.9 39.2 34.2 14.5 23.7 34.2 11 3 L L < - 0 0 31 -3,-0.8 239,-0.1 143,-0.6 -1,-0.1 -0.935 58.1-133.7-125.4 105.4 13.4 20.3 32.9 12 4 L R > - 0 0 1 -2,-0.5 6,-0.7 1,-0.1 3,-0.7 -0.521 11.0-156.0 -77.0 117.6 13.4 20.0 29.1 13 5 L P T 3 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 138,-0.0 0.854 100.2 38.1 -44.8 -60.7 10.6 18.5 27.0 14 6 L L T 3 S+ 0 0 31 136,-0.1 -2,-0.1 33,-0.1 6,-0.1 0.706 136.8 17.2 -68.8 -15.6 12.7 17.7 23.9 15 7 L F S < >S+ 0 0 4 -3,-0.7 5,-2.7 32,-0.1 3,-0.5 0.746 127.8 17.9-125.7 -73.4 15.5 16.7 26.2 16 8 L E T > 5S+ 0 0 25 2,-0.2 3,-2.8 1,-0.2 -5,-0.1 0.994 122.8 52.8 -71.8 -56.0 15.6 15.9 30.0 17 9 L K T 3 5S+ 0 0 129 -5,-0.4 -1,-0.2 1,-0.3 -3,-0.1 0.695 120.3 41.5 -47.6 -7.7 11.8 15.2 30.4 18 10 L K T 3 5S- 0 0 135 -6,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.178 112.9-120.3-129.0 18.0 12.6 12.9 27.4 19 11 L S T < 5 + 0 0 121 -3,-2.8 2,-0.4 1,-0.2 -3,-0.2 0.567 68.2 136.3 38.1 38.8 16.0 11.4 28.7 20 12 L L < - 0 0 71 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.801 43.7-150.0 -97.3 136.3 17.8 12.8 25.7 21 13 L E - 0 0 94 -2,-0.4 2,-0.0 -3,-0.1 -5,-0.0 -0.927 18.0-112.5-117.9 135.3 21.1 14.5 26.5 22 14 L D >> - 0 0 3 -2,-0.4 3,-1.8 26,-0.1 4,-0.6 -0.211 28.4 -97.4 -78.5 162.5 22.6 17.4 24.4 23 14AL K T 34 S+ 0 0 169 1,-0.3 3,-0.2 2,-0.1 -1,-0.0 0.863 120.2 13.5 -30.0 -65.6 25.5 17.8 22.2 24 14BL T T 3> S+ 0 0 41 1,-0.2 4,-0.6 2,-0.1 -1,-0.3 -0.271 88.7 107.6-119.1 44.0 27.6 19.3 25.0 25 14CL E H X> S+ 0 0 3 -3,-1.8 4,-2.4 1,-0.2 3,-1.1 0.917 84.2 56.5 -64.3 -57.6 25.9 18.7 28.4 26 14DL R H 3< S+ 0 0 174 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.494 94.5 69.7 -54.7 -7.8 28.4 16.2 29.3 27 14EL E H >4 S+ 0 0 55 2,-0.1 3,-0.6 3,-0.1 -1,-0.2 0.949 112.9 27.9 -78.6 -35.2 31.0 19.0 28.6 28 14FL L H XX S+ 0 0 0 -3,-1.1 3,-5.6 -4,-0.6 4,-0.9 0.957 111.6 63.5 -79.5 -61.5 29.7 20.8 31.9 29 14GL L T 3< S+ 0 0 22 -4,-2.4 6,-1.0 1,-0.3 7,-0.5 0.289 107.3 51.0 -51.7 3.0 28.6 17.7 33.8 30 14HL E T <4 S+ 0 0 123 -3,-0.6 -1,-0.3 -5,-0.2 4,-0.3 0.205 94.1 72.7-114.9 -7.6 32.3 17.0 33.5 31 14IL S T <4 S+ 0 0 20 -3,-5.6 2,-1.1 2,-0.1 -2,-0.2 0.879 83.9 66.2 -69.3 -47.7 33.4 20.5 34.8 32 14JL Y S < S- 0 0 4 -4,-0.9 -1,-0.1 140,-0.1 138,-0.1 -0.825 124.1 -99.2 -67.0 90.1 32.4 19.8 38.4 33 14KL I S S- 0 0 151 -2,-1.1 -2,-0.1 1,-0.1 -1,-0.1 -0.061 97.6 -25.4 -33.8 87.7 35.2 17.1 38.6 34 14LL D S S+ 0 0 108 -4,-0.3 -4,-0.1 2,-0.0 -1,-0.1 0.909 70.4 175.6 70.1 98.5 32.4 14.6 37.9 35 14ML G 0 0 27 -6,-1.0 -5,-0.1 -7,-0.1 -6,-0.1 0.876 360.0 360.0 -83.2 -73.2 28.9 15.5 38.9 36 15 L R 0 0 194 -7,-0.5 -6,-0.1 213,-0.0 -7,-0.0 0.805 360.0 360.0 -51.7 360.0 26.6 12.6 37.7 37 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 38 16 H I 0 0 1 0, 0.0 3,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.3 28.1 34.1 20.9 39 17 H V B +B 231 0B 4 192,-1.6 192,-0.7 1,-0.3 143,-0.2 -0.657 360.0 3.8 -91.1 144.8 31.7 34.2 19.7 40 18 H E S S+ 0 0 90 141,-0.6 -1,-0.3 -2,-0.3 2,-0.1 0.934 105.5 137.6 36.6 68.7 33.5 31.0 18.9 41 19 H G - 0 0 29 -3,-0.4 154,-0.2 154,-0.1 2,-0.2 -0.287 51.7-125.7-118.7-156.6 30.2 29.3 19.6 42 20 H S - 0 0 66 152,-1.1 -3,-0.0 -2,-0.1 150,-0.0 -0.631 36.9 -94.4-171.7 103.6 28.3 26.5 17.8 43 21 H D - 0 0 73 -2,-0.2 150,-0.3 150,-0.1 149,-0.1 0.191 49.4-118.5 -26.0 111.8 24.7 26.7 16.6 44 22 H A - 0 0 6 148,-3.0 -1,-0.1 1,-0.1 3,-0.1 -0.031 23.1-116.3 -54.3 162.3 22.3 25.3 19.3 45 23 H E > - 0 0 37 1,-0.2 3,-1.1 148,-0.0 2,-0.4 -0.104 54.2 -52.6 -89.1 178.8 20.1 22.3 18.9 46 24 H I T 3 S- 0 0 94 1,-0.3 -1,-0.2 2,-0.1 57,-0.1 -0.552 123.0 -16.6 -60.1 116.8 16.3 22.0 19.0 47 25 H G T 3 S+ 0 0 17 -2,-0.4 -1,-0.3 55,-0.2 4,-0.2 0.579 76.3 155.7 57.9 20.1 15.2 23.8 22.3 48 26 H M S < S+ 0 0 4 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.756 89.6 24.2 -42.4 -24.8 18.7 23.7 23.9 49 27 H S > + 0 0 7 -4,-0.2 3,-2.9 102,-0.1 -1,-0.3 -0.421 68.0 176.7-143.7 61.7 17.0 26.6 25.8 50 28 H P T 3 S+ 0 0 5 0, 0.0 103,-1.0 0, 0.0 51,-0.2 0.823 87.4 58.4 -40.0 -27.4 13.2 26.3 25.8 51 29 H W T 3 S+ 0 0 1 101,-0.2 18,-1.2 -4,-0.2 2,-0.6 0.159 75.2 121.8 -88.0 12.2 13.5 29.5 27.9 52 30 H Q B < -C 68 0C 3 -3,-2.9 49,-1.1 99,-0.3 50,-0.6 -0.886 42.6-168.6 -95.1 126.9 15.4 31.7 25.5 53 31 H V - 0 0 2 14,-3.5 2,-0.5 -2,-0.6 14,-0.2 -0.201 18.3-126.8-100.1 174.1 13.5 34.9 24.7 54 32 H M - 0 0 1 12,-0.2 45,-1.0 -2,-0.1 2,-0.6 -0.908 5.6-153.4-135.7 113.4 13.8 37.7 22.2 55 33 H L E -G 98 0D 6 10,-5.6 9,-1.6 -2,-0.5 2,-0.5 -0.746 30.1-172.2 -76.9 122.8 13.9 41.4 23.2 56 34 H F E -GH 97 63D 38 41,-0.9 41,-1.8 -2,-0.6 7,-0.3 -0.984 21.9-144.7-133.3 124.3 12.4 42.9 20.1 57 35 H R E > -GH 96 62D 19 5,-2.8 5,-2.5 -2,-0.5 39,-0.2 -0.596 7.8-159.0 -79.9 140.8 12.2 46.6 19.2 58 36 H K T 5S+ 0 0 104 37,-1.1 -1,-0.1 1,-0.3 38,-0.1 0.882 71.8 70.6 -99.0 -28.8 8.9 47.4 17.3 59 36AH S T 5S+ 0 0 87 1,-0.3 -1,-0.3 36,-0.3 2,-0.2 -0.910 120.4 6.5-123.8 102.0 10.0 50.7 15.6 60 37 H P T 5S- 0 0 82 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.768 112.1 -97.8 -79.8-179.7 12.0 49.9 13.5 61 38 H Q T 5 + 0 0 162 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.2 -0.345 67.1 147.8 -64.5 106.1 11.9 46.0 13.6 62 39 H E E < -H 57 0D 94 -5,-2.5 -5,-2.8 -2,-0.5 2,-0.5 -0.963 50.4-127.0-148.3 167.7 14.8 44.9 15.9 63 40 H L E +H 56 0D 44 -2,-0.3 -7,-0.3 -7,-0.3 3,-0.1 -0.981 21.1 176.4-102.6 111.9 16.2 42.5 18.3 64 41 H L - 0 0 31 -9,-1.6 2,-0.2 -2,-0.5 -1,-0.2 0.983 58.1 -53.0 -82.8 -65.8 17.6 44.2 21.5 65 42 H b - 0 0 2 16,-0.1 -10,-5.6 171,-0.1 -1,-0.3 -0.819 54.3 -73.2-153.1-173.9 18.6 41.0 23.4 66 43 H G - 0 0 3 171,-1.6 12,-0.4 170,-0.7 2,-0.3 -0.467 39.7-176.5 -88.3 162.0 17.9 37.5 24.9 67 44 H A - 0 0 1 -14,-0.2 -14,-3.5 -2,-0.2 2,-0.5 -0.973 20.2-119.0-165.6 150.6 15.7 36.8 28.0 68 45 H S E -CD 52 76C 0 8,-1.7 8,-2.5 170,-0.5 -16,-0.2 -0.902 15.5-134.2-105.9 121.3 14.6 33.9 30.2 69 46 H L E + D 0 75C 1 -18,-1.2 86,-1.6 -2,-0.5 6,-0.2 -0.419 34.4 158.5 -71.4 135.5 11.2 32.6 30.9 70 47 H I + 0 0 2 4,-2.1 5,-0.2 84,-0.2 2,-0.2 0.548 65.5 20.3-133.1 -23.5 10.8 31.9 34.6 71 48 H S S S- 0 0 5 3,-1.2 -65,-0.1 82,-0.0 84,-0.0 -0.465 95.3 -88.2-131.9-161.9 6.9 32.0 35.0 72 49 H D S S+ 0 0 46 219,-0.6 74,-1.6 -2,-0.2 72,-0.1 0.330 133.0 1.9 -91.6 2.2 3.9 31.6 32.6 73 50 H R S S+ 0 0 26 72,-0.2 69,-2.2 218,-0.1 2,-0.7 0.292 107.1 105.2-169.0 11.5 4.5 35.3 32.2 74 51 H W E + E 0 141C 0 67,-0.2 -4,-2.1 217,-0.1 -3,-1.2 -0.940 43.0 173.4-110.9 105.2 7.5 36.2 34.3 75 52 H V E -DE 69 140C 0 65,-1.1 65,-2.7 -2,-0.7 2,-0.5 -0.867 16.9-151.1-109.3 139.0 10.5 36.8 32.0 76 53 H L E +DE 68 139C 0 -8,-2.5 -8,-1.7 -2,-0.4 63,-0.2 -0.958 24.5 154.6-120.2 124.2 13.9 38.2 33.3 77 54 H T E - 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