==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-11 3TI9 . COMPND 2 MOLECULE: SERINE PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DICHELOBACTER NODOSUS; . AUTHOR W.WONG,J.C.WHISSTOCK,C.J.PORTER . 341 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 5.9 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 . 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 . 2 0.6 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 20.5 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 2 0 0 1 0 1 2 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 2 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 0 PARALLEL BRIDGES PER LADDER . 5 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 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 2 A A 0 0 119 0, 0.0 7,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 146.7 -8.2 -24.8 9.4 2 3 A P - 0 0 15 0, 0.0 6,-0.1 0, 0.0 121,-0.1 -0.297 360.0-132.2 -53.2 146.3 -6.7 -22.6 12.1 3 4 A N + 0 0 97 4,-0.1 120,-0.0 119,-0.1 113,-0.0 0.405 62.6 129.1 -86.7 1.3 -8.4 -23.2 15.5 4 5 A D > - 0 0 3 1,-0.2 3,-1.7 116,-0.1 4,-0.5 -0.408 62.0-134.8 -60.0 124.5 -8.8 -19.5 16.3 5 6 A P T 3 S+ 0 0 60 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.718 102.0 45.9 -61.7 -22.9 -12.5 -19.1 17.2 6 7 A S T > S+ 0 0 25 115,-2.7 3,-1.5 1,-0.2 4,-0.4 0.416 84.2 93.4 -99.4 0.5 -13.0 -16.0 15.0 7 8 A Y G X S+ 0 0 17 -3,-1.7 3,-2.2 114,-0.4 6,-0.2 0.887 76.4 65.9 -56.7 -40.8 -11.2 -17.4 12.0 8 9 A R G 3 S+ 0 0 188 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.712 99.5 52.2 -53.0 -24.8 -14.5 -18.5 10.6 9 10 A Q G < S+ 0 0 114 -3,-1.5 2,-1.7 1,-0.2 -1,-0.3 0.548 83.7 92.0 -88.2 -9.6 -15.5 -14.9 10.3 10 11 A Q X> + 0 0 0 -3,-2.2 3,-2.5 -4,-0.4 4,-0.6 -0.403 44.8 160.8 -89.6 60.8 -12.4 -13.9 8.3 11 12 A W H >> + 0 0 35 -2,-1.7 4,-2.8 1,-0.3 3,-0.7 0.752 64.7 72.7 -48.0 -32.2 -14.0 -14.5 4.9 12 13 A H H 34 S+ 0 0 0 240,-0.2 7,-2.1 1,-0.2 -1,-0.3 0.582 97.1 49.2 -68.1 -11.7 -11.3 -12.4 3.4 13 14 A Y H <4 S+ 0 0 0 -3,-2.5 8,-1.5 5,-0.2 9,-1.1 0.730 131.4 4.2 -92.9 -29.9 -8.7 -15.2 3.9 14 15 A F H << S+ 0 0 72 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.1 0.507 105.4 82.6-139.8 -12.4 -10.6 -18.2 2.5 15 16 A S S >< S- 0 0 45 -4,-2.8 3,-2.2 1,-0.2 5,-0.3 -0.219 90.6 -50.0 -96.4-175.7 -14.0 -17.3 0.8 16 17 A N T 3 S+ 0 0 134 1,-0.3 -1,-0.2 -2,-0.1 216,-0.2 -0.331 129.8 10.5 -51.9 131.8 -15.2 -16.0 -2.5 17 18 A Y T 3 S+ 0 0 67 1,-0.2 -1,-0.3 214,-0.1 215,-0.1 0.601 104.9 123.3 65.3 15.9 -13.2 -12.9 -3.5 18 19 A G S < S- 0 0 1 -3,-2.2 -5,-0.2 -7,-0.1 -1,-0.2 -0.271 77.8-100.8 -90.3-175.5 -10.8 -13.6 -0.6 19 20 A V - 0 0 0 -7,-2.1 312,-2.8 311,-0.1 313,-0.4 0.401 40.8-124.2 -95.2 2.9 -7.0 -14.0 -0.9 20 21 A K > + 0 0 65 -5,-0.3 4,-0.9 310,-0.2 3,-0.5 0.820 56.6 151.5 57.9 33.6 -6.8 -17.9 -0.8 21 22 A A H >> + 0 0 0 -8,-1.5 4,-2.0 1,-0.2 3,-0.5 0.865 64.4 62.1 -59.1 -37.3 -4.4 -17.6 2.2 22 23 A D H 3> S+ 0 0 36 -9,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.840 96.2 57.6 -62.1 -36.1 -5.6 -21.0 3.5 23 24 A K H 3> S+ 0 0 116 -3,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.842 108.7 46.5 -65.8 -32.8 -4.5 -22.9 0.4 24 25 A V H S+ 0 0 0 -4,-0.9 5,-2.1 -3,-0.5 4,-0.7 0.868 109.6 52.6 -75.3 -39.6 -0.9 -21.7 1.0 25 26 A W H ><5S+ 0 0 16 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.937 107.2 53.9 -57.4 -45.7 -1.0 -22.6 4.7 26 27 A D H 3<5S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.881 104.5 55.0 -54.8 -38.3 -2.1 -26.0 3.5 27 28 A R H 3<5S- 0 0 84 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.637 126.0-103.7 -72.2 -16.9 1.0 -26.1 1.3 28 29 A G T <<5S+ 0 0 40 -3,-1.4 2,-0.5 -4,-0.7 -3,-0.2 0.539 81.3 121.4 107.8 11.0 3.1 -25.4 4.4 29 30 A F < + 0 0 32 -5,-2.1 -1,-0.3 1,-0.1 -2,-0.2 -0.922 15.5 152.5-113.1 128.5 4.0 -21.7 3.9 30 31 A T S S- 0 0 14 -2,-0.5 98,-2.8 96,-0.1 99,-0.9 0.189 76.2 -83.4-134.7 9.6 3.1 -19.1 6.5 31 32 A G > - 0 0 0 257,-0.3 3,-1.9 97,-0.3 99,-0.2 0.685 62.9-176.1 89.3 20.6 5.8 -16.5 6.0 32 33 A Q T 3 + 0 0 88 1,-0.3 97,-0.2 97,-0.1 -1,-0.2 -0.220 67.9 10.4 -49.9 131.3 8.4 -18.2 8.2 33 34 A G T 3 S+ 0 0 77 95,-0.7 2,-0.4 1,-0.2 -1,-0.3 0.533 98.6 124.0 77.0 7.7 11.6 -16.2 8.5 34 35 A V < - 0 0 3 -3,-1.9 96,-2.3 94,-0.1 2,-0.5 -0.841 48.6-151.5-103.0 136.3 10.1 -13.0 7.0 35 36 A V E -a 130 0A 23 -2,-0.4 135,-1.9 94,-0.2 136,-1.3 -0.941 11.9-170.0-106.5 127.8 10.1 -9.7 8.7 36 37 A V E -ab 131 171A 0 94,-2.7 96,-2.2 -2,-0.5 2,-0.4 -0.973 11.2-145.6-118.9 126.4 7.2 -7.2 7.9 37 38 A S E -ab 132 172A 0 134,-2.7 136,-3.2 -2,-0.5 2,-0.6 -0.736 2.9-156.7 -89.0 139.0 7.2 -3.6 9.1 38 39 A V E -ab 133 173A 5 94,-2.3 96,-2.7 -2,-0.4 2,-0.9 -0.947 5.4-165.1-114.5 106.7 4.0 -1.9 9.9 39 40 A V E +a 134 0A 0 134,-2.7 136,-0.5 -2,-0.6 96,-0.2 -0.820 51.3 89.4 -95.1 102.4 4.4 1.9 9.6 40 41 A D E S-a 135 0A 0 94,-2.0 96,-2.9 -2,-0.9 97,-1.9 -0.627 91.6 -33.3-165.1-149.9 1.4 3.1 11.4 41 42 A T S S- 0 0 2 1,-0.3 39,-0.3 94,-0.2 38,-0.2 0.450 88.9-108.1 -79.8 -1.5 -0.1 4.2 14.8 42 43 A G - 0 0 4 92,-0.3 2,-0.3 -4,-0.2 -1,-0.3 -0.649 43.1 -58.7 101.9-164.1 2.0 1.7 16.8 43 44 A I B -l 77 0B 23 33,-2.6 35,-2.4 -2,-0.2 2,-0.3 -0.915 32.0-136.0-131.8 145.4 1.1 -1.5 18.6 44 45 A L - 0 0 7 -2,-0.3 2,-1.0 33,-0.2 35,-0.1 -0.653 31.0-111.3 -90.8 152.2 -1.1 -2.7 21.4 45 46 A D + 0 0 128 -2,-0.3 2,-0.4 33,-0.2 222,-0.1 -0.799 62.0 159.4 -74.9 103.6 -0.2 -5.1 24.2 46 47 A H >> - 0 0 0 -2,-1.0 4,-2.9 1,-0.1 3,-2.8 -0.988 50.5-138.4-144.3 124.3 -2.5 -7.9 22.8 47 48 A V T 34 S+ 0 0 84 -2,-0.4 4,-0.4 1,-0.3 -1,-0.1 0.770 108.3 52.2 -51.3 -31.7 -2.5 -11.6 23.4 48 49 A D T 34 S+ 0 0 0 1,-0.1 67,-2.2 2,-0.1 -1,-0.3 0.268 120.8 31.4 -93.3 11.8 -3.1 -12.2 19.7 49 50 A L T X4 S+ 0 0 0 -3,-2.8 3,-2.2 65,-0.2 4,-0.3 0.606 97.1 77.7-126.7 -45.5 -0.2 -10.0 18.6 50 51 A N G >< S+ 0 0 74 -4,-2.9 3,-1.7 1,-0.3 -3,-0.1 0.798 91.2 55.1 -42.5 -52.0 2.6 -10.1 21.2 51 52 A G G 3 S+ 0 0 51 -4,-0.4 -1,-0.3 1,-0.3 -3,-0.1 0.715 111.2 45.4 -57.4 -26.1 4.0 -13.5 20.2 52 53 A N G < S+ 0 0 11 -3,-2.2 79,-2.6 61,-0.1 2,-0.4 0.224 92.2 100.9-106.2 13.9 4.5 -12.4 16.6 53 54 A M B < -c 131 0A 36 -3,-1.7 79,-0.2 -4,-0.3 3,-0.0 -0.824 49.4-164.3-104.4 136.2 6.1 -8.9 17.2 54 55 A L - 0 0 52 77,-3.3 -2,-0.0 -2,-0.4 113,-0.0 -0.696 47.9 -68.4-103.6 165.6 9.8 -8.1 17.0 55 56 A P + 0 0 91 0, 0.0 112,-0.1 0, 0.0 111,-0.1 -0.314 61.1 174.0 -58.5 131.3 11.3 -4.8 18.5 56 57 A G - 0 0 9 18,-0.3 2,-0.3 76,-0.1 78,-0.2 -0.076 21.1-115.9-112.2-145.7 10.2 -1.7 16.6 57 58 A Y E -d 134 0A 21 76,-1.8 78,-2.3 19,-0.1 2,-0.7 -0.969 7.8-128.6-162.5 148.2 10.6 2.0 17.2 58 59 A D E +dE 135 73A 0 15,-3.1 15,-1.7 -2,-0.3 78,-0.2 -0.883 24.0 175.5-103.5 105.7 8.6 5.1 17.9 59 60 A F + 0 0 0 76,-2.9 2,-0.4 -2,-0.7 13,-0.2 0.430 36.0 125.4 -90.6 0.4 9.5 7.8 15.4 60 61 A I - 0 0 7 75,-0.6 6,-0.1 11,-0.2 77,-0.1 -0.484 41.6-168.0 -65.1 115.2 6.9 10.4 16.6 61 62 A S + 0 0 37 -2,-0.4 2,-0.6 10,-0.1 11,-0.2 0.718 65.0 79.1 -78.5 -25.5 9.0 13.5 17.3 62 63 A S > - 0 0 39 1,-0.2 4,-1.7 9,-0.1 5,-0.2 -0.792 64.5-159.0 -91.0 116.5 6.3 15.4 19.2 63 64 A A H >>S+ 0 0 26 -2,-0.6 4,-1.4 1,-0.2 5,-0.8 0.917 92.1 50.8 -58.9 -48.2 5.9 14.3 22.8 64 65 A P H 45S+ 0 0 90 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.891 112.6 47.0 -58.6 -39.1 2.3 15.6 23.2 65 66 A K H 45S+ 0 0 83 1,-0.2 74,-2.4 73,-0.1 -2,-0.2 0.796 112.0 50.2 -73.0 -28.8 1.2 13.9 19.9 66 67 A A H <5S- 0 0 0 -4,-1.7 13,-0.3 72,-0.2 -1,-0.2 0.651 94.4-147.6 -80.8 -19.3 2.9 10.6 21.0 67 68 A R T <5S+ 0 0 61 -4,-1.4 -4,-0.1 -3,-0.2 -2,-0.1 0.788 71.4 100.0 56.2 34.2 1.1 10.7 24.4 68 69 A D S + 0 0 72 -2,-0.3 3,-1.5 14,-0.2 14,-0.2 -0.923 59.3 38.5-145.0 171.5 -11.7 15.9 21.5 85 86 A N T 3 S- 0 0 114 -2,-0.3 13,-0.2 1,-0.3 12,-0.1 0.826 124.8 -65.3 55.4 38.8 -12.4 19.6 22.0 86 87 A W T > S+ 0 0 57 11,-2.1 3,-2.3 1,-0.1 5,-0.3 0.790 83.9 157.9 55.0 33.6 -10.9 20.5 18.6 87 88 A D T < S+ 0 0 81 -3,-1.5 -1,-0.1 10,-0.5 -2,-0.1 0.794 74.4 47.2 -57.7 -29.4 -7.5 19.5 19.8 88 89 A a T 3 S- 0 0 33 1,-0.4 -1,-0.3 8,-0.3 -2,-0.1 0.144 121.8-105.0 -99.4 18.4 -6.4 19.0 16.2 89 90 A G S < S+ 0 0 32 -3,-2.3 -1,-0.4 -4,-0.1 -3,-0.1 -0.271 79.0 110.4 92.5-180.0 -7.8 22.4 15.1 90 91 A G > - 0 0 29 1,-0.3 3,-2.0 -3,-0.1 6,-0.2 0.422 54.1-162.1 93.9 -0.2 -10.9 23.4 13.1 91 92 A Y T 3 + 0 0 177 1,-0.3 -1,-0.3 -5,-0.3 -5,-0.0 -0.300 67.3 20.5 -51.5 137.5 -13.0 25.1 15.8 92 93 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 5,-0.1 -0.931 91.0 108.0 -99.0 16.5 -16.0 25.7 15.6 93 94 A D X - 0 0 74 -3,-2.0 3,-2.2 1,-0.2 4,-0.3 -0.345 59.6-148.3 -57.0 113.8 -16.7 23.1 12.8 94 95 A P G > S+ 0 0 95 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.789 95.4 60.9 -56.6 -28.6 -18.7 20.3 14.6 95 96 A R G 3 S+ 0 0 199 1,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.584 104.1 48.9 -76.9 -11.4 -17.2 17.7 12.3 96 97 A R G < S+ 0 0 112 -3,-2.2 -8,-0.3 -6,-0.2 -1,-0.2 0.330 88.4 92.7-102.8 3.5 -13.6 18.6 13.4 97 98 A E S < S- 0 0 54 -3,-1.1 -11,-2.1 -4,-0.3 -10,-0.5 0.887 90.3 -10.0 -70.2 -44.7 -14.5 18.4 17.1 98 99 A K - 0 0 125 -4,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.991 45.1-172.1-158.6 155.0 -13.6 14.8 18.1 99 100 A R B -M 83 0C 125 -16,-2.5 -16,-2.0 -2,-0.3 2,-0.1 -0.978 26.6-122.0-146.8 147.2 -12.7 11.2 17.1 100 101 A F - 0 0 131 -2,-0.3 162,-0.2 -18,-0.2 161,-0.1 -0.480 48.4 -82.1 -78.5 160.4 -12.3 7.9 18.9 101 102 A S - 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0 0 3 1,-0.6 3,-0.4 -84,-0.2 -98,-0.3 -0.102 51.8 -93.3-145.8 37.7 -8.3 -1.0 -9.7 325 326 A G - 0 0 32 -81,-0.4 -1,-0.6 -84,-0.2 -79,-0.3 -0.282 68.5 -39.7 77.2-164.0 -5.2 -2.9 -11.0 326 327 A S S S- 0 0 41 -81,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.675 99.1 -73.7 -75.9 -22.1 -5.0 -6.4 -12.3 327 328 A G S S- 0 0 0 -3,-0.4 -80,-2.6 -12,-0.1 2,-0.4 -0.975 71.3 -34.6 155.5-163.3 -7.4 -8.2 -9.9 328 329 A I B -jK 247 314A 0 -14,-2.4 -14,-3.0 -2,-0.3 -80,-0.2 -0.791 69.5 -98.2 -96.2 132.8 -7.5 -9.5 -6.3 329 330 A V - 0 0 0 -82,-2.7 2,-0.5 -2,-0.4 -16,-0.1 -0.175 38.7-162.8 -50.9 131.1 -4.3 -10.7 -4.7 330 331 A D > - 0 0 14 -21,-0.4 4,-2.4 1,-0.1 -310,-0.2 -0.918 12.8-171.2-126.2 103.4 -4.2 -14.5 -4.9 331 332 A A H > S+ 0 0 0 -312,-2.8 4,-2.4 -2,-0.5 5,-0.2 0.861 87.5 53.2 -62.7 -38.5 -1.8 -16.2 -2.5 332 333 A N H > S+ 0 0 44 -313,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.934 113.5 41.4 -63.1 -48.3 -2.3 -19.7 -4.1 333 334 A A H > S+ 0 0 24 -21,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.844 113.1 55.5 -67.4 -36.8 -1.5 -18.4 -7.6 334 335 A A H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 3,-0.3 0.924 110.3 43.9 -60.9 -47.1 1.3 -16.3 -6.4 335 336 A V H >X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-0.9 0.863 107.9 59.9 -69.6 -35.3 3.1 -19.3 -4.7 336 337 A N H 3X S+ 0 0 44 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.831 99.1 59.0 -56.8 -34.9 2.4 -21.4 -7.8 337 338 A A H 3< S+ 0 0 40 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.765 113.9 35.7 -66.0 -27.5 4.4 -18.8 -9.8 338 339 A V H << S+ 0 0 15 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.816 131.6 24.3 -96.1 -35.9 7.5 -19.5 -7.6 339 340 A L H < S- 0 0 49 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.2 0.596 98.3-132.0-104.8 -16.2 7.3 -23.3 -6.8 340 341 A G < 0 0 33 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.1 -0.333 360.0 360.0 82.0-174.6 5.2 -24.5 -9.8 341 342 A D 0 0 177 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.1 0.884 360.0 360.0 -80.1 360.0 2.3 -26.8 -9.3