==== 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/HYDROLASE INHIBITOR 06-DEC-05 2F9N . COMPND 2 MOLECULE: ALPHA I TRYPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.B.ROHR,T.SELWOOD,U.MARQUARDT,R.HUBER,N.M.SCHECHTER,W.BODE, . 984 8 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 309 31.4 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 72 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 0 3 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 24 8 8 19 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 4 0 0 4 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 16 A I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.9 32.5 17.4 71.2 2 17 A V B +A 188 0A 12 186,-3.3 186,-1.9 1,-0.2 132,-0.1 -0.873 360.0 2.2-105.9 129.0 32.0 15.4 74.5 3 18 A G S S+ 0 0 52 130,-0.5 146,-0.2 -2,-0.5 -1,-0.2 0.640 102.3 112.6 77.5 15.3 31.1 17.2 77.7 4 19 A G - 0 0 26 -3,-0.3 2,-0.3 184,-0.1 144,-0.2 -0.131 57.9-118.9-104.5-156.6 30.9 20.7 76.3 5 20 A Q E -B 147 0B 132 142,-2.2 142,-2.5 -3,-0.1 2,-0.1 -0.895 41.1 -79.0-138.3 165.2 28.2 23.4 75.7 6 21 A E E -B 146 0B 85 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.454 54.6-113.7 -65.6 139.0 26.9 25.2 72.6 7 22 A A - 0 0 1 138,-3.2 138,-0.2 56,-0.1 -1,-0.1 -0.518 25.5-112.5 -77.4 142.1 29.3 28.0 71.5 8 23 A P > - 0 0 54 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.383 31.0-113.0 -67.5 153.3 28.2 31.6 71.7 9 24 A R T 3 S+ 0 0 147 1,-0.3 -2,-0.1 -2,-0.0 54,-0.0 0.789 115.0 57.4 -60.4 -28.9 27.8 33.3 68.2 10 25 A S T 3 S+ 0 0 91 2,-0.0 2,-0.3 3,-0.0 -1,-0.3 0.479 92.3 91.0 -82.0 -1.5 30.8 35.6 68.9 11 26 A K S < S+ 0 0 90 -3,-1.9 -4,-0.1 1,-0.2 95,-0.0 -0.711 83.5 9.5-103.0 148.6 33.2 32.7 69.6 12 27 A W > + 0 0 9 -2,-0.3 3,-1.6 1,-0.1 -1,-0.2 0.941 58.1 177.2 60.3 57.6 35.6 30.8 67.2 13 28 A P T 3 S+ 0 0 10 0, 0.0 48,-0.5 0, 0.0 95,-0.4 0.621 76.5 59.5 -65.2 -11.2 35.3 32.9 64.1 14 29 A W T 3 S+ 0 0 14 93,-0.2 19,-2.1 95,-0.1 96,-0.1 0.496 75.6 117.0 -94.2 -10.3 37.9 30.7 62.4 15 30 A Q E < -K 32 0C 0 -3,-1.6 2,-0.3 17,-0.2 17,-0.2 -0.380 42.5-175.7 -62.9 134.9 36.0 27.4 62.7 16 31 A V E -K 31 0C 1 15,-2.4 15,-1.2 44,-0.1 2,-0.4 -0.902 19.9-140.4-130.1 161.7 35.0 25.7 59.4 17 32 A S E -KL 30 59C 0 42,-2.4 42,-2.6 -2,-0.3 2,-0.4 -0.979 14.5-144.0-119.4 130.7 33.0 22.7 58.4 18 33 A L E -KL 29 58C 0 11,-3.0 10,-2.1 -2,-0.4 11,-0.9 -0.823 20.2-157.4 -95.6 136.5 34.2 20.5 55.5 19 34 A R E -KL 27 57C 0 38,-3.0 38,-1.8 -2,-0.4 2,-0.4 -0.918 10.8-159.1-121.3 140.7 31.4 19.0 53.4 20 35 A V E -KL 26 56C 48 6,-2.5 6,-1.6 -2,-0.4 2,-0.5 -0.950 33.2-108.1-116.9 136.9 31.1 16.0 51.1 21 36 A R E +K 25 0C 129 34,-1.9 4,-0.2 -2,-0.4 2,-0.1 -0.490 63.2 133.0 -65.3 111.5 28.5 15.7 48.3 22 37 A D S S- 0 0 97 2,-2.0 3,-0.1 -2,-0.5 -1,-0.1 -0.122 86.7 -45.8-129.4-135.4 26.0 13.0 49.5 23 37AA R S S+ 0 0 102 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.568 139.5 5.1 -77.3 -8.1 22.2 13.3 49.4 24 37BA Y S S- 0 0 64 -4,-0.2 -2,-2.0 362,-0.0 2,-2.0 -0.912 105.3 -77.7-157.1 169.8 23.1 16.7 50.9 25 38 A W E -K 21 0C 52 -2,-0.3 2,-0.2 -4,-0.2 -4,-0.2 -0.602 64.5-162.7 -79.1 85.2 26.4 18.6 51.5 26 39 A M E -K 20 0C 55 -2,-2.0 -6,-2.5 -6,-1.6 2,-0.1 -0.501 16.8-117.4 -80.5 138.1 27.1 16.5 54.6 27 40 A H E +K 19 0C 23 -2,-0.2 -8,-0.2 -8,-0.2 3,-0.1 -0.434 40.6 158.4 -69.4 137.4 29.6 17.5 57.3 28 41 A F E + 0 0 61 -10,-2.1 2,-0.3 1,-0.5 164,-0.3 0.518 60.9 2.6-134.0 -18.1 32.5 15.1 57.8 29 42 A a E -K 18 0C 4 -11,-0.9 -11,-3.0 164,-0.1 -1,-0.5 -0.980 61.7-121.7-161.9 165.7 35.3 17.1 59.4 30 43 A G E +K 17 0C 2 164,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.477 25.7 173.1-105.8-178.8 36.3 20.5 60.8 31 44 A G E -K 16 0C 0 -15,-1.2 -15,-2.4 -2,-0.2 2,-0.4 -0.939 23.7-119.0-169.8 178.5 39.1 22.9 59.9 32 45 A S E -KM 15 40C 0 8,-2.0 8,-3.0 -2,-0.3 2,-0.7 -0.998 19.4-122.3-138.4 142.8 40.3 26.4 60.8 33 46 A L E + M 0 39C 1 -19,-2.1 77,-2.1 -2,-0.4 6,-0.2 -0.742 36.8 164.8 -81.6 113.6 40.7 29.5 58.7 34 47 A I E S+ 0 0 19 4,-2.3 -1,-0.2 -2,-0.7 5,-0.2 0.460 70.9 16.4-109.0 -6.3 44.4 30.4 59.2 35 48 A H E > S- M 0 38C 47 3,-1.3 3,-1.5 -3,-0.1 -1,-0.3 -0.953 89.4-102.1-158.5 149.5 44.6 32.8 56.3 36 49 A P T 3 S+ 0 0 40 0, 0.0 65,-3.0 0, 0.0 63,-0.1 0.790 126.5 29.0 -48.3 -27.6 41.8 34.6 54.3 37 50 A Q T 3 S+ 0 0 43 63,-0.3 60,-2.5 1,-0.1 2,-0.4 0.332 112.5 75.8-116.4 7.3 42.4 32.0 51.5 38 51 A W E < -MN 35 96C 8 -3,-1.5 -4,-2.3 58,-0.2 -3,-1.3 -0.973 51.3-165.1-131.4 133.9 43.6 29.0 53.5 39 52 A V E -MN 33 95C 0 56,-2.7 56,-2.5 -2,-0.4 2,-0.4 -0.914 13.7-147.7-110.5 133.1 42.0 26.3 55.8 40 53 A L E +MN 32 94C 0 -8,-3.0 -8,-2.0 -2,-0.4 2,-0.2 -0.848 34.4 145.8 -99.1 134.1 44.1 24.1 58.1 41 54 A T E - N 0 93C 0 52,-2.7 52,-2.2 -2,-0.4 2,-0.3 -0.805 48.7 -71.7-150.7-171.0 42.7 20.5 58.6 42 55 A A >> - 0 0 0 -12,-0.4 3,-0.9 50,-0.3 4,-0.7 -0.754 30.6-133.5 -96.0 143.2 43.8 16.9 59.2 43 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.895 105.7 58.6 -59.1 -42.1 45.3 14.8 56.4 44 57 A H G >4 S+ 0 0 28 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.728 94.8 67.0 -63.9 -19.0 43.0 11.8 57.2 45 58 A a G <4 S+ 0 0 8 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.860 107.4 37.9 -66.8 -36.4 39.9 14.0 56.6 46 59 A V G << S+ 0 0 1 -3,-1.1 5,-0.3 -4,-0.7 -1,-0.3 -0.054 114.4 139.0-105.9 31.4 40.8 14.3 52.9 47 60 A G < + 0 0 17 -3,-1.1 3,-0.0 1,-0.1 851,-0.0 -0.640 20.8 33.7-116.2 179.3 42.0 10.7 52.7 48 60AA P S S+ 0 0 60 0, 0.0 851,-0.4 0, 0.0 2,-0.3 -0.987 112.5 22.1 -84.1 -16.9 42.5 7.9 51.8 49 60BA D S S- 0 0 54 849,-0.1 849,-0.2 1,-0.1 2,-0.1 -0.729 95.2 -82.6-110.4 160.4 42.7 8.7 48.1 50 60CA V - 0 0 74 847,-2.8 2,-0.1 -2,-0.3 -3,-0.1 -0.393 60.3-124.0 -58.6 127.9 43.4 11.9 46.2 51 60DA K - 0 0 63 -5,-0.3 2,-0.9 -2,-0.1 -1,-0.1 -0.450 3.1-124.7 -84.4 149.7 40.0 13.7 46.1 52 60EA D > - 0 0 108 1,-0.2 3,-2.3 -2,-0.1 4,-0.2 -0.835 27.5-146.7 -84.9 111.6 37.9 14.9 43.2 53 61 A L G > S+ 0 0 48 -2,-0.9 3,-1.5 1,-0.3 21,-0.4 0.706 91.4 72.1 -56.9 -20.7 37.6 18.6 44.4 54 62 A A G 3 S+ 0 0 46 1,-0.3 -1,-0.3 19,-0.1 -3,-0.0 0.745 91.9 58.0 -66.5 -22.9 34.1 18.8 42.9 55 63 A T G < S+ 0 0 46 -3,-2.3 -34,-1.9 -35,-0.1 2,-0.4 0.392 100.1 73.9 -87.1 2.5 32.9 16.5 45.8 56 64 A L E < +L 20 0C 7 -3,-1.5 18,-0.5 -36,-0.2 2,-0.3 -0.917 50.7 171.0-123.2 144.8 34.1 18.9 48.5 57 65 A R E -L 19 0C 58 -38,-1.8 -38,-3.0 -2,-0.4 2,-0.4 -0.972 22.7-136.1-143.1 157.1 33.0 22.3 49.9 58 66 A V E -LO 18 72C 0 14,-2.5 14,-2.8 -2,-0.3 2,-0.5 -0.932 10.6-161.1-116.3 137.9 34.0 24.5 52.8 59 67 A Q E -L 17 0C 5 -42,-2.6 -42,-2.4 -2,-0.4 3,-0.2 -0.987 15.1-144.6-117.5 124.4 31.4 26.2 55.1 60 68 A L - 0 0 28 -2,-0.5 -44,-0.1 10,-0.5 10,-0.1 -0.191 54.5 -35.5 -78.9-179.1 32.8 29.1 57.2 61 69 A R S S+ 0 0 23 -48,-0.5 2,-0.3 -46,-0.2 -1,-0.2 -0.012 71.5 156.9 -43.6 122.4 31.6 30.0 60.7 62 70 A E - 0 0 16 -3,-0.2 3,-0.1 1,-0.1 83,-0.1 -0.973 43.1-134.9-146.6 147.2 27.9 29.3 61.2 63 71 A Q S S+ 0 0 14 -2,-0.3 82,-2.1 1,-0.2 2,-0.4 0.898 92.1 30.3 -73.0 -39.5 26.1 28.6 64.4 64 72 A H B >> S-Q 144 0D 25 80,-0.2 3,-0.8 77,-0.0 4,-0.7 -0.979 87.8-114.1-128.3 126.4 24.0 25.6 63.1 65 73 A L T 34 S+ 0 0 4 78,-1.9 2,-0.2 -2,-0.4 4,-0.0 -0.267 93.5 2.6 -56.5 139.3 25.0 23.2 60.4 66 74 A Y T >4 S+ 0 0 18 1,-0.1 3,-0.7 -41,-0.1 -1,-0.2 0.043 105.5 96.1 75.8 -23.9 23.0 23.2 57.1 67 75 A Y T <4 S+ 0 0 40 -3,-0.8 2,-0.3 1,-0.2 -2,-0.1 0.974 99.1 11.1 -63.3 -63.1 20.8 26.1 58.1 68 79 A Q T 3< S+ 0 0 114 -4,-0.7 -1,-0.2 2,-0.0 2,-0.1 -0.465 88.8 173.7-114.2 61.0 22.3 29.2 56.6 69 80 A D < + 0 0 52 -3,-0.7 2,-0.3 -2,-0.3 -10,-0.1 -0.416 21.0 176.6 -74.1 144.8 24.9 27.4 54.4 70 81 A Q - 0 0 155 -10,-0.1 -10,-0.5 -2,-0.1 2,-0.2 -0.780 25.9-154.3-141.0 84.9 27.1 29.4 51.9 71 82 A L - 0 0 46 -2,-0.3 -12,-0.2 -12,-0.1 -2,-0.0 -0.444 5.2-155.2 -73.8 136.5 29.3 26.7 50.5 72 83 A L B -O 58 0C 53 -14,-2.8 -14,-2.5 -2,-0.2 2,-0.1 -0.908 13.2-126.0-113.8 135.1 32.7 27.6 49.1 73 84 A P - 0 0 46 0, 0.0 25,-1.7 0, 0.0 2,-0.5 -0.382 18.7-129.9 -77.1 158.9 34.7 25.6 46.5 74 85 A V E -P 97 0C 10 -18,-0.5 23,-0.2 -21,-0.4 3,-0.1 -0.926 15.8-171.6-110.0 126.0 38.3 24.4 47.0 75 86 A S E S+ 0 0 53 21,-2.4 2,-0.3 -2,-0.5 22,-0.2 0.769 71.3 12.8 -89.0 -20.7 40.9 25.1 44.4 76 87 A R E -P 96 0C 106 20,-1.4 20,-3.1 -23,-0.1 2,-0.4 -0.993 52.0-158.8-159.9 143.4 43.6 23.0 46.0 77 88 A I E -P 95 0C 19 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.992 11.0-172.3-122.9 127.0 44.4 20.3 48.6 78 89 A I E -P 94 0C 18 16,-3.0 16,-2.7 -2,-0.4 2,-0.4 -0.964 5.1-170.3-122.3 112.8 47.9 19.9 50.0 79 90 A V E -P 93 0C 10 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.844 37.3-100.0-103.2 135.2 48.5 16.8 52.3 80 91 A H > - 0 0 25 12,-2.2 3,-1.7 -2,-0.4 12,-0.1 -0.301 31.2-135.5 -52.6 128.8 51.7 16.5 54.2 81 92 A P T 3 S+ 0 0 53 0, 0.0 820,-2.6 0, 0.0 -1,-0.2 0.730 100.5 64.1 -61.8 -22.6 53.8 13.9 52.2 82 93 A Q T 3 S+ 0 0 99 818,-0.2 2,-0.3 8,-0.1 7,-0.1 0.655 84.1 101.7 -74.6 -13.2 54.8 11.9 55.3 83 94 A F < + 0 0 21 -3,-1.7 2,-0.3 7,-0.2 818,-0.1 -0.521 46.5 158.7 -75.3 133.9 51.2 11.0 55.8 84 95 A Y - 0 0 35 5,-0.3 3,-0.5 -2,-0.3 5,-0.1 -0.963 42.2 -63.6-148.5 167.9 49.9 7.6 54.8 85 96 A I S S+ 0 0 20 -2,-0.3 3,-0.1 1,-0.2 863,-0.0 -0.116 107.9 5.4 -57.4 148.6 47.1 5.1 55.4 86 97 A I S S+ 0 0 18 1,-0.2 734,-0.5 733,-0.1 2,-0.3 0.905 106.2 95.2 41.0 58.5 46.5 3.5 58.8 87 98 A Q - 0 0 27 -3,-0.5 732,-0.2 732,-0.2 -1,-0.2 -0.906 64.2-144.6-160.9 152.0 49.2 5.4 60.7 88 99 A T > + 0 0 7 730,-0.5 3,-0.6 -2,-0.3 -44,-0.1 0.541 59.3 107.6-106.1 -9.6 48.6 8.7 62.7 89 100 A G T 3 S+ 0 0 11 1,-0.2 -5,-0.3 -7,-0.1 3,-0.1 -0.277 79.4 18.0 -71.0 156.8 51.8 10.8 62.1 90 101 A A T 3 S+ 0 0 4 1,-0.2 2,-2.2 -7,-0.1 -7,-0.2 0.828 74.5 170.0 53.7 36.4 51.9 13.9 60.0 91 102 A D < + 0 0 0 -3,-0.6 2,-0.3 87,-0.1 137,-0.2 -0.464 33.1 110.5 -80.9 76.5 48.1 14.2 60.2 92 103 A I + 0 0 0 -2,-2.2 -12,-2.2 -50,-0.3 2,-0.3 -0.997 35.8 169.1-152.4 143.6 47.9 17.7 58.6 93 104 A A E -NP 41 79C 0 -52,-2.2 -52,-2.7 -2,-0.3 2,-0.4 -0.979 21.2-136.6-153.3 159.7 46.6 19.2 55.4 94 105 A L E -NP 40 78C 0 -16,-2.7 -16,-3.0 -2,-0.3 2,-0.5 -0.955 7.5-158.5-123.9 140.7 45.8 22.5 53.8 95 106 A L E -NP 39 77C 0 -56,-2.5 -56,-2.7 -2,-0.4 2,-0.6 -0.985 9.6-151.2-119.0 122.6 42.9 23.6 51.7 96 107 A E E -NP 38 76C 39 -20,-3.1 -21,-2.4 -2,-0.5 -20,-1.4 -0.853 17.7-137.9 -94.9 119.6 43.3 26.6 49.4 97 108 A L E - 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