==== 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 2F9P . COMPND 2 MOLECULE: TRYPTASE ALPHA-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.B.ROHR,T.SELWOOD,U.MARQUARDT,R.HUBER,N.M.SCHECHTER,W.BODE, . 983 8 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 60.3 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 . 316 32.1 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 . 2 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 . 74 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 5.0 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 4 0 0 2 0 2 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 . 23 10 8 16 8 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 0 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.8 9.0 -17.3 71.1 2 17 A V B -A 188 0A 10 186,-3.0 186,-1.6 1,-0.2 132,-0.1 -0.821 360.0 -0.4-101.3 129.1 9.5 -15.3 74.3 3 18 A G S S+ 0 0 49 130,-0.6 -1,-0.2 -2,-0.5 146,-0.2 0.678 102.7 106.5 73.9 19.3 10.5 -17.1 77.5 4 19 A G - 0 0 25 -3,-0.3 2,-0.3 144,-0.1 144,-0.2 -0.094 59.2-116.8-108.9-149.4 10.7 -20.7 76.2 5 20 A Q E -B 147 0B 128 142,-2.1 142,-2.5 -3,-0.1 2,-0.1 -0.926 38.7 -72.5-146.2 170.7 13.4 -23.1 75.4 6 21 A E E -B 146 0B 87 -2,-0.3 140,-0.3 140,-0.2 139,-0.0 -0.408 56.2-117.5 -65.5 142.1 14.7 -25.0 72.4 7 22 A A - 0 0 2 138,-2.8 138,-0.2 56,-0.2 -1,-0.1 -0.595 23.8-109.9 -86.2 143.2 12.4 -27.8 71.4 8 23 A P > - 0 0 61 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.385 31.0-115.0 -66.0 150.6 13.4 -31.5 71.6 9 24 A R T 3 S+ 0 0 142 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.843 113.5 56.2 -56.5 -35.2 13.9 -33.0 68.1 10 25 A S T 3 S+ 0 0 58 2,-0.0 2,-0.3 3,-0.0 -1,-0.3 0.445 93.6 90.0 -79.4 2.4 11.0 -35.4 68.7 11 26 A K S < S+ 0 0 80 -3,-1.9 -4,-0.1 1,-0.2 95,-0.0 -0.730 83.2 11.9-106.2 151.5 8.5 -32.7 69.4 12 27 A W > + 0 0 6 -2,-0.3 3,-1.6 1,-0.1 -1,-0.2 0.929 59.4 176.2 56.9 58.6 6.1 -30.7 67.1 13 28 A P T 3 S+ 0 0 10 0, 0.0 48,-0.4 0, 0.0 -1,-0.1 0.583 75.0 60.1 -67.2 -7.8 6.5 -32.7 63.9 14 29 A W T 3 S+ 0 0 13 93,-0.2 19,-2.6 95,-0.1 96,-0.2 0.498 74.0 115.8 -99.9 -6.5 3.9 -30.5 62.3 15 30 A Q E < -K 32 0C 1 -3,-1.6 46,-0.6 17,-0.2 2,-0.3 -0.419 43.6-173.9 -67.4 134.8 5.7 -27.2 62.6 16 31 A V E -KL 31 60C 0 15,-2.5 15,-1.5 44,-0.2 2,-0.4 -0.889 17.0-140.7-127.2 159.6 6.6 -25.7 59.2 17 32 A S E -KL 30 59C 0 42,-2.7 42,-2.4 -2,-0.3 2,-0.4 -0.962 14.3-142.7-116.3 136.2 8.7 -22.6 58.3 18 33 A L E -KL 29 58C 0 11,-3.4 10,-1.8 -2,-0.4 11,-0.9 -0.847 18.0-158.0-101.3 140.0 7.6 -20.3 55.4 19 34 A R E -KL 27 57C 0 38,-3.0 38,-1.9 -2,-0.4 2,-0.4 -0.934 9.7-160.1-123.7 139.4 10.4 -18.9 53.3 20 35 A V E -KL 26 56C 44 6,-3.0 6,-1.9 -2,-0.4 2,-0.6 -0.907 33.8-106.2-114.6 143.0 10.5 -15.8 51.0 21 36 A R E +K 25 0C 124 34,-1.8 4,-0.2 -2,-0.4 2,-0.1 -0.575 65.1 126.4 -69.5 111.9 13.1 -15.4 48.3 22 37 A D S S- 0 0 96 2,-1.8 3,-0.1 -2,-0.6 -1,-0.1 -0.200 87.2 -38.7-134.7-132.4 15.7 -12.8 49.4 23 37AA R S S- 0 0 97 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.631 138.9 -3.9 -75.4 -10.3 19.5 -13.0 49.6 24 37BA Y S S- 0 0 63 -4,-0.2 2,-1.9 364,-0.0 -2,-1.8 -0.900 106.8 -67.6-161.7 174.2 18.6 -16.6 50.8 25 38 A W E -K 21 0C 60 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.565 65.5-160.3 -77.8 87.9 15.4 -18.4 51.5 26 39 A M E -K 20 0C 59 -2,-1.9 -6,-3.0 -6,-1.9 2,-0.2 -0.514 15.0-122.5 -80.8 134.1 14.5 -16.3 54.5 27 40 A H E +K 19 0C 24 -2,-0.3 -8,-0.2 -8,-0.2 3,-0.1 -0.482 40.7 156.0 -68.0 134.6 12.0 -17.3 57.2 28 41 A F E + 0 0 57 -10,-1.8 2,-0.3 1,-0.4 164,-0.2 0.459 62.0 11.5-134.7 -21.0 9.1 -14.9 57.7 29 42 A a E -K 18 0C 4 -11,-0.9 -11,-3.4 164,-0.1 -1,-0.4 -0.986 61.7-126.2-155.3 163.4 6.4 -17.0 59.2 30 43 A G E +K 17 0C 0 164,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.499 27.7 172.6-101.8 176.5 5.5 -20.3 60.7 31 44 A G E -K 16 0C 0 -15,-1.5 -15,-2.5 -2,-0.2 2,-0.3 -0.939 22.2-118.9-167.7 179.0 2.8 -22.8 59.7 32 45 A S E -KM 15 40C 0 8,-2.3 8,-3.0 -2,-0.3 2,-1.0 -0.997 15.2-125.9-142.5 140.2 1.5 -26.3 60.4 33 46 A L E + M 0 39C 1 -19,-2.6 77,-1.8 -2,-0.3 6,-0.2 -0.697 37.0 161.5 -81.7 104.8 1.1 -29.5 58.5 34 47 A I E S+ 0 0 17 4,-1.6 -1,-0.2 -2,-1.0 78,-0.2 0.452 71.7 15.7-101.7 -4.4 -2.6 -30.4 59.1 35 48 A H E > S- M 0 38C 43 3,-1.2 3,-1.6 -3,-0.1 -1,-0.3 -0.939 89.9-101.2-160.7 148.3 -2.8 -32.8 56.1 36 49 A P T 3 S+ 0 0 38 0, 0.0 65,-3.0 0, 0.0 63,-0.1 0.759 125.1 28.9 -47.0 -28.4 -0.0 -34.5 54.0 37 50 A Q T 3 S+ 0 0 43 63,-0.3 60,-2.8 1,-0.1 2,-0.4 0.364 112.7 75.8-116.3 5.4 -0.5 -32.0 51.3 38 51 A W E < -MN 35 96C 9 -3,-1.6 -4,-1.6 58,-0.2 -3,-1.2 -0.964 51.4-165.0-128.7 136.4 -1.8 -28.9 53.3 39 52 A V E -MN 33 95C 0 56,-2.7 56,-2.9 -2,-0.4 2,-0.4 -0.934 13.8-148.5-112.9 132.9 -0.2 -26.3 55.5 40 53 A L E +MN 32 94C 0 -8,-3.0 -8,-2.3 -2,-0.4 2,-0.2 -0.819 34.7 142.6 -97.8 138.6 -2.3 -24.1 57.8 41 54 A T E - N 0 93C 0 52,-2.5 52,-2.5 -2,-0.4 2,-0.4 -0.826 49.3 -64.8-155.6-166.8 -1.0 -20.6 58.4 42 55 A A >> - 0 0 0 -12,-0.4 3,-1.2 50,-0.3 4,-0.8 -0.799 29.5-138.0 -98.8 139.5 -2.0 -16.9 58.9 43 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.3 4,-0.5 0.934 103.7 58.4 -56.4 -49.0 -3.6 -14.9 56.2 44 57 A H G 34 S+ 0 0 29 1,-0.3 3,-0.3 2,-0.2 -1,-0.3 0.717 97.6 63.3 -58.3 -18.0 -1.5 -11.8 57.0 45 58 A a G <4 S+ 0 0 11 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.840 110.8 36.1 -71.9 -34.6 1.7 -13.9 56.3 46 59 A V S << S+ 0 0 2 -3,-1.5 5,-0.4 -4,-0.8 -1,-0.2 0.265 117.3 134.9 -99.8 9.1 0.7 -14.4 52.7 47 60 A G + 0 0 15 -4,-0.5 -3,-0.0 -3,-0.3 2,-0.0 -0.360 22.3 32.9 -98.5-177.1 -0.8 -10.9 52.5 48 60AA P S S+ 0 0 52 0, 0.0 863,-0.6 0, 0.0 2,-0.2 -0.952 111.9 19.5 -83.8 -23.3 -1.5 -8.2 51.7 49 60BA D B S-Q 910 0D 41 861,-0.2 2,-0.4 1,-0.1 861,-0.3 -0.589 95.5 -76.0-107.4 166.0 -1.5 -8.9 48.0 50 60CA V - 0 0 81 859,-2.8 2,-0.1 -2,-0.2 -1,-0.1 -0.409 58.4-135.1 -59.1 114.0 -1.7 -12.0 45.8 51 60DA K - 0 0 64 -5,-0.4 2,-0.7 -2,-0.4 26,-0.1 -0.425 7.4-120.4 -76.6 147.3 1.7 -13.5 46.1 52 60EA D > - 0 0 104 1,-0.1 3,-2.0 -2,-0.1 4,-0.1 -0.792 23.6-144.0 -83.1 118.4 3.8 -14.8 43.2 53 61 A L G > S+ 0 0 51 -2,-0.7 3,-1.9 1,-0.3 21,-0.3 0.750 92.2 73.3 -57.5 -26.3 4.3 -18.4 44.2 54 62 A A G 3 S+ 0 0 48 1,-0.3 -1,-0.3 19,-0.1 -2,-0.0 0.713 93.3 55.5 -62.3 -19.7 7.8 -18.5 42.8 55 63 A T G < S+ 0 0 43 -3,-2.0 -34,-1.8 -35,-0.1 2,-0.3 0.319 100.3 76.7 -95.0 8.3 9.0 -16.3 45.7 56 64 A L E < +L 20 0C 7 -3,-1.9 18,-0.4 -36,-0.2 2,-0.3 -0.916 49.4 171.4-126.5 146.7 7.7 -18.8 48.3 57 65 A R E -L 19 0C 59 -38,-1.9 -38,-3.0 -2,-0.3 2,-0.4 -0.982 22.1-135.0-147.2 157.3 8.8 -22.1 49.8 58 66 A V E -LO 18 72C 0 14,-2.1 14,-2.7 -2,-0.3 2,-0.5 -0.922 11.1-163.1-115.2 140.1 7.8 -24.4 52.7 59 67 A Q E -L 17 0C 6 -42,-2.4 -42,-2.7 -2,-0.4 3,-0.2 -0.980 14.4-145.9-123.8 118.3 10.3 -26.1 55.1 60 68 A L E -L 16 0C 26 -2,-0.5 -44,-0.2 10,-0.4 10,-0.1 -0.282 54.4 -37.4 -78.7 168.3 9.0 -29.0 57.1 61 69 A R S S+ 0 0 26 -46,-0.6 2,-0.3 -48,-0.4 -1,-0.2 0.167 71.5 158.1 -28.8 118.4 10.1 -29.8 60.6 62 70 A E - 0 0 11 -3,-0.2 83,-0.1 1,-0.1 3,-0.1 -0.953 43.1-134.1-142.4 156.2 13.8 -29.1 61.1 63 71 A Q S S+ 0 0 5 -2,-0.3 82,-1.9 1,-0.2 2,-0.4 0.867 92.4 27.2 -81.9 -37.3 15.7 -28.4 64.3 64 72 A H B > S-R 144 0E 27 80,-0.2 4,-0.6 77,-0.0 2,-0.3 -0.968 87.7-111.3-128.2 140.8 17.6 -25.4 63.0 65 73 A L T 4 S- 0 0 5 78,-1.3 -2,-0.0 77,-0.4 -6,-0.0 -0.547 93.8 -0.3 -74.9 134.3 16.7 -23.0 60.2 66 74 A Y T >4 S+ 0 0 18 -2,-0.3 3,-0.6 323,-0.1 -1,-0.2 0.023 105.7 97.1 82.3 -24.7 18.7 -23.0 56.9 67 75 A Y T 34 S+ 0 0 50 -3,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.959 99.4 12.0 -62.2 -57.6 21.0 -25.9 58.0 68 79 A Q T 3< S+ 0 0 89 -4,-0.6 -1,-0.2 2,-0.0 -3,-0.1 -0.163 87.9 174.6-116.9 42.0 19.4 -28.9 56.5 69 80 A D < + 0 0 51 -3,-0.6 2,-0.2 1,-0.1 -10,-0.1 -0.137 20.4 173.8 -55.0 138.0 16.8 -27.3 54.2 70 81 A Q - 0 0 155 -10,-0.1 -10,-0.4 -12,-0.1 2,-0.1 -0.734 28.0-155.4-141.7 78.6 14.7 -29.3 51.8 71 82 A L - 0 0 44 -2,-0.2 -12,-0.2 -12,-0.1 -14,-0.0 -0.350 4.8-152.3 -68.5 139.8 12.4 -26.6 50.4 72 83 A L B -O 58 0C 48 -14,-2.7 -14,-2.1 -2,-0.1 -1,-0.0 -0.919 12.5-127.7-116.9 130.9 9.0 -27.4 49.0 73 84 A P - 0 0 47 0, 0.0 25,-1.3 0, 0.0 2,-0.5 -0.354 22.9-124.6 -72.1 156.7 7.2 -25.4 46.3 74 85 A V E -P 97 0C 9 -18,-0.4 23,-0.2 -21,-0.3 3,-0.1 -0.910 13.9-163.7-107.0 125.0 3.6 -24.3 46.9 75 86 A S E S- 0 0 55 21,-2.7 2,-0.3 -2,-0.5 22,-0.2 0.929 71.0 -11.4 -71.3 -49.5 0.9 -25.3 44.5 76 87 A R E -P 96 0C 107 20,-1.1 20,-2.6 -23,-0.0 2,-0.5 -0.996 54.6-139.9-153.3 156.7 -1.8 -22.7 45.6 77 88 A I E -P 95 0C 20 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.979 13.2-169.0-121.0 128.0 -2.6 -20.3 48.4 78 89 A I E -P 94 0C 18 16,-2.6 16,-2.7 -2,-0.5 2,-0.4 -0.948 5.1-170.9-121.0 111.2 -6.1 -19.9 49.7 79 90 A V E -P 93 0C 10 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.854 38.4 -99.5-101.2 133.5 -6.7 -16.9 52.0 80 91 A H > - 0 0 23 12,-2.0 3,-1.7 -2,-0.4 12,-0.1 -0.235 32.0-135.6 -50.2 128.9 -10.0 -16.6 53.9 81 92 A P T 3 S+ 0 0 54 0, 0.0 832,-2.4 0, 0.0 -1,-0.2 0.737 100.1 65.0 -63.2 -23.6 -12.0 -14.2 51.8 82 93 A Q T 3 S+ 0 0 100 830,-0.2 2,-0.2 8,-0.1 7,-0.1 0.537 85.0 104.3 -76.9 -3.4 -13.2 -12.2 54.8 83 94 A F < + 0 0 15 -3,-1.7 2,-0.3 7,-0.1 830,-0.1 -0.554 45.5 162.8 -81.5 139.0 -9.6 -11.2 55.4 84 95 A Y - 0 0 45 5,-0.4 3,-0.2 -2,-0.2 5,-0.1 -0.988 41.9 -74.3-152.8 162.4 -8.3 -7.7 54.6 85 96 A I S S+ 0 0 17 -2,-0.3 3,-0.1 1,-0.2 875,-0.0 -0.178 110.8 14.1 -52.8 146.5 -5.4 -5.3 55.1 86 97 A I S S+ 0 0 19 1,-0.2 746,-0.6 745,-0.1 2,-0.3 0.966 105.9 95.0 46.5 67.7 -5.3 -3.5 58.5 87 98 A Q - 0 0 21 -3,-0.2 -1,-0.2 744,-0.2 744,-0.2 -0.812 58.6-154.6-177.2 140.9 -7.8 -5.8 60.2 88 99 A T > + 0 0 4 742,-0.5 3,-0.7 -2,-0.3 -44,-0.1 0.491 58.9 106.1-107.2 -7.0 -7.0 -8.8 62.4 89 100 A G T 3 S+ 0 0 3 1,-0.2 -5,-0.4 -7,-0.1 3,-0.2 -0.333 82.1 17.5 -73.0 157.4 -10.2 -10.9 62.0 90 101 A A T 3 S+ 0 0 3 1,-0.2 2,-1.7 -7,-0.1 -1,-0.2 0.847 76.5 167.0 53.7 34.8 -10.3 -14.0 59.8 91 102 A D < + 0 0 1 -3,-0.7 2,-0.3 -48,-0.1 -1,-0.2 -0.601 31.0 111.6 -84.8 84.8 -6.6 -14.2 59.9 92 103 A I + 0 0 0 -2,-1.7 -12,-2.0 -50,-0.2 2,-0.3 -0.980 36.6 172.0-156.4 141.6 -6.2 -17.7 58.5 93 104 A A E -NP 41 79C 0 -52,-2.5 -52,-2.5 -2,-0.3 2,-0.4 -0.975 20.2-132.2-151.9 165.9 -4.9 -19.3 55.3 94 105 A L E -NP 40 78C 0 -16,-2.7 -16,-2.6 -2,-0.3 2,-0.5 -0.953 6.4-160.6-127.8 138.3 -4.1 -22.5 53.5 95 106 A L E -NP 39 77C 0 -56,-2.9 -56,-2.7 -2,-0.4 2,-0.6 -0.961 9.2-154.5-118.1 118.3 -1.1 -23.7 51.5 96 107 A E E -NP 38 76C 32 -20,-2.6 -21,-2.7 -2,-0.5 -20,-1.1 -0.809 16.8-141.0 -90.3 120.1 -1.4 -26.6 49.1 97 108 A L E - 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