==== 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 03-DEC-97 1A0L . COMPND 2 MOLECULE: BETA-TRYPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.J.B.PEREIRA,A.BERGNER,S.MACEDO-RIBEIRO,R.HUBER,G.MATSCHINE . 976 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 629 64.4 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 . 325 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 2.5 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 . 89 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 6.6 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 3 1 0 4 0 2 0 1 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 . 25 9 8 14 11 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 4 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 16 A I 0 0 0 0, 0.0 188,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 98.1 60.0 50.9 74.4 2 17 A V B -A 188 0A 14 186,-1.2 186,-1.6 144,-0.1 2,-0.2 -0.479 360.0 -4.4 -69.1 136.5 60.3 48.5 71.5 3 18 A G S S+ 0 0 28 130,-0.5 184,-0.1 184,-0.2 144,-0.0 -0.540 96.2 95.6 78.9-151.7 61.1 50.4 68.2 4 19 A G - 0 0 43 182,-0.2 2,-0.3 -2,-0.2 144,-0.3 -0.008 66.1-101.8 67.2-167.2 61.1 54.1 68.5 5 20 A Q E -B 147 0B 112 142,-2.3 142,-2.7 140,-0.0 2,-0.1 -0.907 43.0 -72.6-149.2 169.3 64.0 56.5 69.0 6 21 A E E -B 146 0B 91 -2,-0.3 140,-0.3 140,-0.2 57,-0.0 -0.467 61.2-116.4 -66.0 140.7 65.6 58.5 71.8 7 22 A A - 0 0 3 138,-3.1 138,-0.2 56,-0.1 -1,-0.1 -0.630 27.5 -96.9 -87.6 145.0 63.2 61.4 72.5 8 23 A P > - 0 0 58 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.220 39.6-108.6 -54.5 144.8 64.1 65.1 72.0 9 24 A R T 3 S+ 0 0 149 1,-0.3 54,-0.1 2,-0.1 -2,-0.1 0.639 117.3 40.1 -54.1 -12.5 65.3 66.8 75.2 10 25 A S T 3 S+ 0 0 81 1,-0.1 -1,-0.3 53,-0.0 97,-0.0 -0.139 89.6 97.0-129.3 37.8 62.0 68.8 75.3 11 26 A K S < S+ 0 0 71 -3,-1.8 -2,-0.1 1,-0.2 3,-0.1 0.881 82.9 28.5-100.0 -41.3 59.4 66.3 74.3 12 27 A W > + 0 0 0 -4,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.562 57.3 166.6-126.8 75.2 57.6 64.6 77.2 13 28 A P T 3 S+ 0 0 5 0, 0.0 48,-0.4 0, 0.0 95,-0.2 0.595 77.5 57.8 -57.7 -19.9 57.6 67.1 80.1 14 29 A W T 3 S+ 0 0 12 93,-0.2 19,-1.4 -3,-0.1 96,-0.1 0.637 79.2 115.7 -87.9 -17.9 55.0 65.0 82.0 15 30 A Q E < +J 32 0C 0 -3,-1.8 2,-0.3 17,-0.2 17,-0.2 -0.231 40.5 175.7 -56.0 135.3 57.2 61.9 82.0 16 31 A V E -J 31 0C 0 15,-1.2 15,-1.4 44,-0.1 2,-0.5 -0.960 23.6-139.6-139.2 159.9 58.2 60.6 85.4 17 32 A S E -JK 30 59C 0 42,-2.5 42,-2.5 -2,-0.3 2,-0.3 -0.987 14.5-143.5-124.2 123.4 60.1 57.6 86.7 18 33 A L E -JK 29 58C 0 11,-3.0 10,-1.8 -2,-0.5 11,-0.8 -0.724 22.4-161.9 -87.2 139.9 59.0 55.9 89.9 19 34 A R E -JK 27 57C 0 38,-2.6 38,-1.1 -2,-0.3 2,-0.4 -0.942 11.9-150.9-127.5 148.2 61.9 54.6 92.0 20 35 A V E -JK 26 56C 52 6,-2.0 2,-1.3 -2,-0.3 6,-1.1 -0.907 33.2-107.0-114.6 145.5 62.2 52.0 94.8 21 36 A H E +J 25 0C 117 34,-1.8 4,-0.2 -2,-0.4 35,-0.0 -0.555 63.0 141.6 -73.6 95.4 64.8 52.2 97.5 22 37 A G S S- 0 0 25 2,-2.8 3,-0.1 -2,-1.3 -1,-0.0 0.003 84.6 -54.0 -98.8-145.3 67.2 49.4 96.5 23 37AA P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.720 140.4 4.3 -51.4 -29.5 71.0 49.5 96.8 24 37BA Y S S- 0 0 35 -4,-0.2 -2,-2.8 2,-0.0 2,-1.9 -0.912 101.0 -84.8-149.2 170.8 69.9 52.6 94.9 25 38 A W E -J 21 0C 52 -2,-0.3 -4,-0.2 -4,-0.2 2,-0.2 -0.617 58.8-175.1 -82.7 80.7 66.7 54.2 93.8 26 39 A M E -J 20 0C 79 -2,-1.9 -6,-2.0 -6,-1.1 2,-0.1 -0.542 26.5-108.1 -82.0 146.7 66.3 52.1 90.7 27 40 A H E +J 19 0C 26 -8,-0.2 -8,-0.2 -2,-0.2 3,-0.1 -0.405 40.8 163.3 -69.8 146.9 63.5 52.8 88.3 28 41 A F E + 0 0 58 -10,-1.8 2,-0.3 1,-0.5 164,-0.2 0.383 63.0 0.3-144.1 -2.7 60.6 50.3 88.0 29 42 A a E -J 18 0C 6 -11,-0.8 -11,-3.0 164,-0.1 -1,-0.5 -0.941 64.5-121.2-177.9 162.4 57.7 52.1 86.3 30 43 A G E -J 17 0C 3 164,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.431 23.1-177.3-108.6-175.3 56.8 55.4 84.7 31 44 A G E -J 16 0C 0 -15,-1.4 -15,-1.2 -2,-0.1 2,-0.3 -0.895 20.3-119.7-162.8-172.5 54.1 57.9 85.4 32 45 A S E -JL 15 40C 0 8,-1.6 8,-2.7 -2,-0.3 2,-0.8 -0.992 21.3-122.6-147.3 139.2 52.8 61.2 84.1 33 46 A L E + L 0 39C 0 -19,-1.4 77,-1.7 -2,-0.3 6,-0.2 -0.773 37.1 164.2 -83.9 108.4 52.4 64.6 85.8 34 47 A I E S+ 0 0 16 4,-1.6 78,-0.2 -2,-0.8 -1,-0.2 0.404 70.4 12.9-106.1 0.4 48.7 65.4 85.6 35 48 A H E > S- L 0 38C 26 3,-1.0 3,-2.1 209,-0.1 -1,-0.4 -0.866 88.4-101.3-169.1 140.8 48.7 68.2 88.3 36 49 A P T 3 S+ 0 0 40 0, 0.0 65,-0.7 0, 0.0 3,-0.1 0.608 124.9 30.7 -44.9 -12.5 51.6 70.0 89.9 37 50 A Q T 3 S+ 0 0 47 63,-0.2 60,-3.4 1,-0.1 2,-0.4 0.442 110.3 69.6-128.1 -2.0 51.1 67.7 92.9 38 51 A W E < -LM 35 96C 7 -3,-2.1 -4,-1.6 58,-0.2 -3,-1.0 -0.949 54.8-156.4-127.4 145.1 49.8 64.4 91.5 39 52 A V E -LM 33 95C 0 56,-3.0 56,-2.1 -2,-0.4 2,-0.4 -0.952 11.6-148.4-117.8 127.6 51.2 61.6 89.5 40 53 A L E +LM 32 94C 0 -8,-2.7 -8,-1.6 -2,-0.5 2,-0.3 -0.792 34.0 144.6 -95.3 137.3 49.1 59.3 87.4 41 54 A T E - M 0 93C 0 52,-2.4 52,-2.7 -2,-0.4 2,-0.3 -0.938 51.3 -72.2-159.2 176.6 50.3 55.7 87.0 42 55 A A >> - 0 0 0 -12,-0.4 3,-1.6 -2,-0.3 4,-0.6 -0.620 33.0-138.1 -80.9 136.5 49.2 52.1 86.8 43 56 A A H >> S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.3 3,-1.8 0.915 99.9 68.4 -62.3 -38.5 48.0 50.5 89.9 44 57 A H H 34 S+ 0 0 61 1,-0.3 -1,-0.3 2,-0.2 42,-0.1 0.660 92.5 61.3 -57.5 -14.0 49.9 47.3 89.2 45 58 A a H <4 S+ 0 0 11 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.832 122.7 18.5 -79.8 -33.0 53.1 49.3 89.8 46 59 A V H << S+ 0 0 0 -3,-1.8 -2,-0.2 -4,-0.6 5,-0.2 0.440 115.9 134.5-118.7 1.7 52.2 50.1 93.4 47 60 A G < - 0 0 11 -4,-2.3 37,-0.1 -5,-0.1 3,-0.1 -0.602 41.4 -2.8-132.7-170.1 49.5 47.5 94.2 48 60AA P S S+ 0 0 25 0, 0.0 854,-3.2 0, 0.0 855,-0.3 -0.977 110.5 60.9 -74.5 -16.6 47.5 45.4 95.1 49 60BA D B S-P 901 0D 58 852,-0.2 852,-0.3 853,-0.1 2,-0.1 -0.458 98.5 -98.2 -71.4 144.7 49.7 45.0 98.2 50 60CA V - 0 0 89 850,-2.6 2,-0.3 -2,-0.1 -1,-0.1 -0.382 41.3-152.0 -66.4 130.6 50.3 48.0 100.5 51 60DA K - 0 0 70 -5,-0.2 2,-0.6 -2,-0.1 26,-0.1 -0.828 17.2-114.5-108.3 148.2 53.6 49.8 99.8 52 60EA D > - 0 0 112 -2,-0.3 3,-0.9 1,-0.2 4,-0.2 -0.666 18.4-149.7 -82.4 118.9 55.9 51.8 102.1 53 61 A L G > S+ 0 0 59 -2,-0.6 3,-1.1 1,-0.3 21,-0.5 0.783 98.2 57.7 -58.6 -31.1 55.9 55.4 101.0 54 62 A A G 3 S+ 0 0 56 1,-0.2 -1,-0.3 19,-0.1 -2,-0.0 0.866 101.4 57.4 -68.9 -29.8 59.5 55.8 102.3 55 63 A A G < S+ 0 0 34 -3,-0.9 -34,-1.8 -35,-0.1 2,-0.3 0.484 104.6 68.5 -76.1 -4.0 60.4 53.0 100.0 56 64 A L E < +K 20 0C 5 -3,-1.1 18,-0.3 -4,-0.2 2,-0.3 -0.787 54.8 166.8-116.1 160.3 59.1 55.0 97.1 57 65 A R E -K 19 0C 58 -38,-1.1 -38,-2.6 -2,-0.3 2,-0.4 -0.877 25.2-132.2-171.8 137.2 60.2 58.2 95.4 58 66 A V E -KN 18 72C 0 14,-2.9 14,-2.6 -2,-0.3 2,-0.5 -0.811 10.8-159.4-101.8 137.3 59.3 60.0 92.2 59 67 A Q E -K 17 0C 8 -42,-2.5 -42,-2.5 -2,-0.4 12,-0.1 -0.953 18.5-135.6-113.8 128.5 61.8 61.4 89.7 60 68 A L - 0 0 32 10,-0.5 -43,-0.2 -2,-0.5 -44,-0.1 0.028 50.3 -50.0 -70.7-172.4 60.5 64.1 87.4 61 69 A R + 0 0 26 -48,-0.4 2,-0.3 -45,-0.1 -1,-0.2 -0.313 65.5 160.9 -64.9 145.2 61.3 64.1 83.7 62 70 A E - 0 0 20 -3,-0.1 3,-0.1 1,-0.1 83,-0.0 -0.962 41.6-132.0-160.6 149.8 64.9 63.7 82.6 63 71 A Q S S+ 0 0 13 -2,-0.3 82,-1.6 1,-0.2 2,-0.4 0.799 95.7 35.5 -76.4 -34.0 66.8 62.7 79.4 64 72 A H B >> S-Q 144 0E 22 80,-0.2 3,-0.9 1,-0.1 4,-0.5 -0.983 87.6-122.6-127.7 124.3 69.2 60.1 80.9 65 73 A L T 34 S+ 0 0 7 78,-2.6 78,-0.1 -2,-0.4 -1,-0.1 0.621 91.5 8.3 -37.3 -56.4 68.1 57.9 83.8 66 74 A Y T >4 S+ 0 0 18 76,-0.3 3,-0.6 1,-0.1 -1,-0.2 0.402 96.4 98.9-117.8 12.3 70.3 58.4 86.7 67 75 A Y T <4 S+ 0 0 52 -3,-0.9 -2,-0.1 75,-0.2 -1,-0.1 0.950 99.6 10.8 -63.1 -53.6 72.6 61.2 85.8 68 79 A Q T 3< S+ 0 0 114 -4,-0.5 -1,-0.2 2,-0.0 -2,-0.1 -0.277 79.5 177.7-126.9 54.4 70.9 64.1 87.7 69 80 A D < + 0 0 45 -3,-0.6 2,-0.1 1,-0.1 -10,-0.1 -0.041 14.3 179.7 -54.2 155.8 68.2 62.7 90.0 70 81 A Q - 0 0 148 -10,-0.1 -10,-0.5 -12,-0.1 2,-0.2 -0.607 24.4-153.6-159.5 74.1 66.2 65.0 92.3 71 82 A L - 0 0 53 -12,-0.1 -12,-0.2 -2,-0.1 -14,-0.0 -0.410 7.5-158.9 -66.2 133.7 64.0 62.5 94.1 72 83 A L B -N 58 0C 46 -14,-2.6 -14,-2.9 -2,-0.2 2,-0.1 -0.933 16.3-128.5-114.1 129.5 60.6 63.6 95.5 73 84 A P - 0 0 41 0, 0.0 25,-1.7 0, 0.0 2,-0.5 -0.397 23.7-120.5 -74.6 156.4 58.9 61.7 98.3 74 85 A V E -O 97 0C 5 -21,-0.5 23,-0.3 -18,-0.3 3,-0.1 -0.864 14.9-161.9-104.1 128.7 55.3 60.7 97.8 75 86 A S E S+ 0 0 52 21,-2.3 2,-0.3 -2,-0.5 22,-0.2 0.897 72.9 1.7 -72.2 -43.4 52.6 62.0 100.2 76 87 A R E -O 96 0C 109 20,-1.6 20,-3.0 -23,-0.1 2,-0.5 -0.999 55.0-148.5-152.4 147.2 49.9 59.5 99.4 77 88 A I E -O 95 0C 18 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.970 14.9-173.8-116.2 127.6 49.3 56.5 97.3 78 89 A I E -O 94 0C 17 16,-3.2 16,-3.2 -2,-0.5 2,-0.4 -0.903 3.2-172.8-128.1 102.1 45.8 55.9 96.0 79 90 A V E -O 93 0C 10 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.760 38.4 -97.5 -93.8 139.6 45.3 52.7 94.2 80 91 A H > - 0 0 11 12,-2.0 3,-1.1 -2,-0.4 -1,-0.1 -0.289 30.7-132.1 -55.6 138.8 41.9 52.1 92.5 81 92 A P T 3 S+ 0 0 52 0, 0.0 823,-2.3 0, 0.0 826,-0.2 0.746 101.6 55.0 -66.1 -29.9 39.6 50.0 94.8 82 93 A Q T 3 S+ 0 0 106 821,-0.2 2,-0.4 8,-0.1 821,-0.1 0.456 84.3 117.8 -85.0 2.7 38.5 47.5 92.2 83 94 A F < + 0 0 2 -3,-1.1 7,-0.1 1,-0.2 3,-0.1 -0.534 13.5 129.7 -78.7 124.4 42.1 46.7 91.3 84 95 A Y S S+ 0 0 17 5,-0.5 2,-0.3 1,-0.5 -1,-0.2 0.544 75.7 5.9-131.1 -43.0 43.3 43.2 91.8 85 96 A T > - 0 0 19 4,-0.3 4,-0.7 1,-0.1 -1,-0.5 -0.980 63.8-123.2-144.6 149.2 45.0 42.1 88.5 86 97 A A T >4 S+ 0 0 13 -2,-0.3 3,-1.8 1,-0.2 5,-0.3 0.946 112.3 53.2 -59.1 -49.0 45.8 43.9 85.3 87 98 A Q T 34 S+ 0 0 43 1,-0.3 89,-0.3 126,-0.1 -1,-0.2 0.752 107.3 54.4 -57.2 -29.1 43.8 41.4 83.1 88 99 A I T 34 S- 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.650 112.8-128.4 -80.1 -18.9 40.9 42.0 85.4 89 100 A G S << S+ 0 0 4 -3,-1.8 -5,-0.5 -4,-0.7 -4,-0.3 -0.420 75.9 98.4 103.6-178.9 41.0 45.7 84.8 90 101 A A + 0 0 4 1,-0.2 2,-2.3 -2,-0.1 -10,-0.2 0.727 42.9 164.0 64.3 30.3 41.2 48.9 86.8 91 102 A D + 0 0 2 -5,-0.3 2,-0.3 87,-0.1 -1,-0.2 -0.495 33.1 109.7 -79.1 76.1 44.9 49.2 86.5 92 103 A I + 0 0 0 -2,-2.3 -12,-2.0 -50,-0.3 2,-0.3 -0.985 35.6 167.6-148.9 146.6 45.1 52.8 87.6 93 104 A A E -MO 41 79C 0 -52,-2.7 -52,-2.4 -2,-0.3 2,-0.3 -0.972 21.1-137.3-157.2 153.8 46.5 54.5 90.7 94 105 A L E -MO 40 78C 0 -16,-3.2 -16,-3.2 -2,-0.3 2,-0.4 -0.875 6.8-158.4-117.9 148.8 47.4 58.1 91.8 95 106 A L E -MO 39 77C 0 -56,-2.1 -56,-3.0 -2,-0.3 2,-0.5 -0.996 9.2-149.9-127.1 125.4 50.3 59.4 93.8 96 107 A E E -MO 38 76C 28 -20,-3.0 -21,-2.3 -2,-0.4 -20,-1.6 -0.856 19.0-131.6 -96.5 131.4 50.2 62.7 95.7 97 108 A L E - 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