==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAR-06 2GDD . COMPND 2 MOLECULE: TRYPTASE BETA-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.SOMOZA . 972 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 61.0 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 . 312 32.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 0 0.0 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 6.1 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 5 2 0 1 0 3 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 . 20 12 8 16 8 8 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 . 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 3,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 119.0 25.6 64.7 65.2 2 17 A V B 3 +A 188 0A 7 186,-3.4 186,-1.6 1,-0.2 132,-0.1 -0.785 360.0 0.6 -93.9 129.8 29.0 64.2 67.0 3 18 A G T 3 S+ 0 0 42 130,-0.5 146,-0.2 -2,-0.5 -1,-0.2 0.805 100.0 122.9 69.4 32.3 32.0 65.8 65.4 4 19 A G < - 0 0 28 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.030 52.8-126.6-103.7-150.5 30.3 67.5 62.5 5 20 A Q E -B 147 0B 126 142,-1.5 142,-1.9 -2,-0.0 2,-0.1 -0.944 42.7 -78.5-152.6 159.4 29.9 71.0 61.1 6 21 A E E -B 146 0B 97 -2,-0.3 140,-0.2 140,-0.2 57,-0.0 -0.435 55.8-118.3 -62.2 138.1 26.8 73.1 60.2 7 22 A A - 0 0 2 138,-3.2 138,-0.2 56,-0.1 -1,-0.1 -0.557 25.1-106.8 -82.5 144.4 25.6 71.9 56.8 8 23 A P > - 0 0 58 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.358 29.7-116.3 -64.2 148.9 25.5 74.2 53.8 9 24 A R T 3 S+ 0 0 139 1,-0.3 -2,-0.1 4,-0.0 54,-0.0 0.784 113.0 60.5 -56.4 -28.1 21.9 75.3 52.9 10 25 A S T 3 S+ 0 0 93 2,-0.0 2,-0.3 3,-0.0 -1,-0.3 0.390 93.7 84.0 -83.1 3.5 22.3 73.6 49.5 11 26 A K S < S+ 0 0 93 -3,-2.0 -4,-0.1 1,-0.2 95,-0.0 -0.822 81.6 18.9-115.6 152.1 22.9 70.1 51.0 12 27 A W > + 0 0 12 -2,-0.3 3,-1.2 1,-0.1 -1,-0.2 0.959 58.5 175.7 63.1 56.9 20.7 67.3 52.2 13 28 A P T 3 S+ 0 0 13 0, 0.0 95,-0.4 0, 0.0 48,-0.4 0.659 76.4 56.9 -63.7 -17.0 17.4 68.4 50.4 14 29 A W T 3 S+ 0 0 14 93,-0.2 19,-1.8 95,-0.1 96,-0.1 0.598 75.7 117.5 -92.0 -14.1 15.8 65.2 51.7 15 30 A Q E < -J 32 0C 0 -3,-1.2 46,-0.4 17,-0.2 2,-0.3 -0.276 41.6-178.9 -58.1 134.4 16.4 65.7 55.5 16 31 A V E -J 31 0C 1 15,-1.7 15,-1.0 44,-0.2 2,-0.4 -0.851 20.7-137.2-130.7 169.2 13.2 66.0 57.5 17 32 A S E -JK 30 59C 0 42,-2.4 42,-3.0 -2,-0.3 2,-0.4 -0.996 12.7-142.4-129.1 131.7 12.3 66.6 61.1 18 33 A L E -JK 29 58C 0 11,-3.3 10,-1.8 -2,-0.4 11,-0.8 -0.793 19.6-162.2 -94.1 136.4 9.5 64.7 62.9 19 34 A R E -JK 27 57C 0 38,-3.5 38,-2.5 -2,-0.4 2,-0.4 -0.957 7.9-156.7-123.7 140.0 7.5 66.7 65.4 20 35 A V E -JK 26 56C 52 6,-2.1 6,-1.2 -2,-0.4 36,-0.2 -0.905 31.6-105.1-112.9 141.1 5.2 65.6 68.3 21 36 A H + 0 0 112 34,-2.5 4,-0.1 -2,-0.4 34,-0.1 -0.408 67.2 108.3 -68.2 135.2 2.5 67.8 69.7 22 37 A G S S- 0 0 32 -2,-0.1 3,-0.1 0, 0.0 -1,-0.0 -0.835 88.7 -26.6-172.7-152.9 3.2 69.4 73.0 23 37AA P S S- 0 0 131 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.819 138.8 -8.7 -47.5 -31.1 3.9 72.9 74.5 24 37BA Y S S- 0 0 70 -4,-0.2 2,-1.9 360,-0.0 -4,-0.1 -0.949 98.2 -77.8-158.4 159.3 5.3 73.4 70.9 25 38 A W - 0 0 50 -2,-0.3 2,-0.2 -4,-0.1 -4,-0.2 -0.457 60.9-162.9 -68.8 86.6 5.9 71.0 68.0 26 39 A M E -J 20 0C 83 -2,-1.9 -6,-2.1 -6,-1.2 2,-0.3 -0.488 17.5-119.5 -78.3 137.7 9.1 69.5 69.3 27 40 A H E +J 19 0C 21 -8,-0.2 -8,-0.2 -2,-0.2 3,-0.1 -0.590 39.9 159.3 -75.5 129.8 11.6 67.6 67.2 28 41 A F E + 0 0 58 -10,-1.8 2,-0.3 1,-0.4 164,-0.2 0.567 62.5 6.5-123.8 -22.9 12.1 64.0 68.4 29 42 A a E -J 18 0C 6 -11,-0.8 -11,-3.3 164,-0.1 -1,-0.4 -0.980 62.1-126.0-156.1 164.4 13.5 62.2 65.3 30 43 A G E +J 17 0C 1 164,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.406 27.3 167.6-103.3-177.4 14.7 62.7 61.8 31 44 A G E -J 16 0C 0 -15,-1.0 -15,-1.7 -2,-0.1 2,-0.3 -0.928 25.6-114.5-173.3-171.1 13.6 61.1 58.5 32 45 A S E -JL 15 40C 0 8,-1.9 8,-3.1 -2,-0.3 2,-0.6 -0.994 18.2-120.9-150.0 142.0 14.0 61.5 54.8 33 46 A L E + L 0 39C 1 -19,-1.8 77,-2.4 -2,-0.3 6,-0.2 -0.716 35.0 163.9 -82.3 121.2 11.7 62.3 51.9 34 47 A I E S+ 0 0 17 4,-2.2 5,-0.2 -2,-0.6 -1,-0.2 0.360 70.2 14.6-116.7 0.6 11.9 59.4 49.4 35 48 A H E > S- L 0 38C 45 3,-1.2 3,-2.0 73,-0.1 -1,-0.4 -0.917 87.8 -99.4-169.8 146.3 8.8 60.3 47.5 36 49 A P T 3 S+ 0 0 44 0, 0.0 65,-1.3 0, 0.0 63,-0.1 0.749 126.9 28.7 -44.1 -28.6 6.6 63.4 47.2 37 50 A Q T 3 S+ 0 0 54 63,-0.2 60,-2.4 1,-0.1 2,-0.4 0.350 112.4 74.9-117.4 6.6 4.2 61.8 49.6 38 51 A W E < -LM 35 96C 13 -3,-2.0 -4,-2.2 58,-0.2 -3,-1.2 -0.967 49.5-167.5-132.2 140.1 6.4 59.5 51.7 39 52 A V E -LM 33 95C 0 56,-2.3 56,-2.3 -2,-0.4 2,-0.4 -0.962 14.3-146.7-119.9 133.2 9.0 59.8 54.4 40 53 A L E +LM 32 94C 0 -8,-3.1 -8,-1.9 -2,-0.4 2,-0.2 -0.836 33.8 146.0-100.2 133.3 11.4 57.1 55.5 41 54 A T E - M 0 93C 0 52,-2.3 52,-2.0 -2,-0.4 2,-0.3 -0.834 50.3 -71.4-149.1-173.1 12.3 56.9 59.2 42 55 A A >> - 0 0 0 -12,-0.4 3,-1.1 50,-0.2 4,-0.6 -0.720 32.9-135.3 -91.1 141.8 13.1 54.5 62.0 43 56 A A H 3> S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.2 3,-0.4 0.768 102.8 62.7 -66.6 -25.4 10.4 52.4 63.5 44 57 A H H 34 S+ 0 0 60 1,-0.2 -1,-0.2 2,-0.2 42,-0.0 0.711 94.3 64.6 -75.0 -13.1 11.4 53.0 67.1 45 58 A a H <4 S+ 0 0 13 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 121.5 16.6 -73.3 -34.5 10.7 56.7 66.5 46 59 A V H < S- 0 0 7 -4,-0.6 5,-0.2 -3,-0.4 -2,-0.2 0.423 118.4 -50.7-120.4 0.3 7.0 56.0 66.0 47 60 A G < - 0 0 8 -4,-1.9 37,-0.1 -5,-0.1 3,-0.1 -0.666 32.4-171.4-140.9-163.7 6.4 52.5 67.4 48 60AA P S S+ 0 0 23 0, 0.0 851,-2.9 0, 0.0 852,-0.4 -0.992 110.5 55.8 -70.6 -15.4 6.1 49.7 68.4 49 60BA D B S-P 898 0D 28 849,-0.2 849,-0.3 850,-0.1 2,-0.2 -0.555 95.2-106.2 -83.1 145.1 2.9 51.1 70.0 50 60CA V - 0 0 78 847,-2.7 2,-0.2 -2,-0.2 -1,-0.1 -0.454 41.1-159.9 -68.8 136.1 0.3 52.8 67.8 51 60DA K - 0 0 105 -5,-0.2 2,-0.9 -2,-0.2 3,-0.1 -0.662 28.4 -91.2-114.6 169.8 0.2 56.6 68.3 52 60EA D > - 0 0 111 -2,-0.2 3,-1.8 1,-0.2 4,-0.0 -0.725 31.3-155.2 -83.2 105.9 -2.3 59.4 67.6 53 61 A L G > S+ 0 0 62 -2,-0.9 3,-2.3 1,-0.3 21,-0.3 0.867 89.9 65.0 -47.7 -43.7 -1.5 60.6 64.1 54 62 A A G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.813 95.2 58.4 -52.1 -33.0 -3.0 64.0 64.9 55 63 A A G < S+ 0 0 34 -3,-1.8 -34,-2.5 -34,-0.1 2,-0.4 0.237 97.9 83.2 -83.9 17.1 -0.2 64.6 67.4 56 64 A L E < +K 20 0C 14 -3,-2.3 18,-0.7 -36,-0.2 2,-0.3 -0.964 49.7 166.6-128.2 139.3 2.4 64.1 64.7 57 65 A R E -KN 19 73C 72 -38,-2.5 -38,-3.5 -2,-0.4 2,-0.4 -0.981 22.9-137.9-146.3 156.0 3.8 66.4 62.1 58 66 A V E -KN 18 72C 0 14,-2.3 14,-2.5 -2,-0.3 2,-0.5 -0.946 8.5-157.2-119.7 137.7 6.7 66.5 59.6 59 67 A Q E -K 17 0C 8 -42,-3.0 -42,-2.4 -2,-0.4 3,-0.2 -0.962 17.2-137.5-113.3 124.2 8.9 69.5 58.9 60 68 A L - 0 0 29 -2,-0.5 -44,-0.2 10,-0.4 10,-0.1 -0.223 59.1 -38.7 -73.1 171.1 10.8 69.5 55.5 61 69 A R + 0 0 13 -46,-0.4 2,-0.4 -48,-0.4 -1,-0.2 0.089 66.8 178.3 -35.8 131.4 14.4 70.6 55.3 62 70 A E - 0 0 7 -3,-0.2 3,-0.2 1,-0.1 83,-0.1 -0.996 30.8-146.0-138.4 136.2 15.1 73.6 57.6 63 71 A Q S S+ 0 0 10 -2,-0.4 82,-1.8 1,-0.3 2,-0.4 0.894 95.4 22.4 -71.1 -37.0 18.5 75.2 58.1 64 72 A H B >> S-Q 144 0E 34 80,-0.2 3,-1.3 -3,-0.1 4,-0.7 -0.991 94.6-109.9-133.8 125.3 17.6 75.9 61.7 65 73 A L T 34 S+ 0 0 5 78,-2.4 4,-0.0 -2,-0.4 -2,-0.0 -0.211 97.1 2.7 -54.3 136.6 15.0 74.0 63.7 66 74 A Y T >4 S+ 0 0 19 319,-0.1 3,-0.7 1,-0.1 -1,-0.2 0.163 103.8 102.7 76.0 -18.5 11.8 75.8 64.6 67 75 A Y T <4 S+ 0 0 63 -3,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.951 94.9 13.9 -60.9 -57.9 12.9 78.9 62.7 68 79 A Q T 3< S- 0 0 124 -4,-0.7 -1,-0.2 2,-0.0 -3,-0.1 -0.352 86.0-178.9-118.1 51.9 10.8 78.7 59.5 69 80 A D < + 0 0 55 -3,-0.7 2,-0.1 1,-0.1 -10,-0.1 -0.257 19.2 165.0 -60.7 131.9 8.3 76.0 60.5 70 81 A Q - 0 0 156 -10,-0.1 -10,-0.4 -12,-0.0 -1,-0.1 -0.629 28.5-157.0-143.0 72.6 5.7 74.9 57.9 71 82 A L - 0 0 44 -12,-0.1 -12,-0.2 -2,-0.1 -14,-0.0 -0.231 4.2-152.0 -61.6 139.1 4.4 71.7 59.4 72 83 A L E -N 58 0C 53 -14,-2.5 -14,-2.3 26,-0.0 -1,-0.1 -0.943 15.5-126.0-115.8 129.3 2.8 69.0 57.3 73 84 A P E -N 57 0C 43 0, 0.0 25,-1.7 0, 0.0 2,-0.4 -0.287 18.7-131.3 -70.8 157.3 0.2 66.5 58.7 74 85 A V E -O 97 0C 5 -18,-0.7 23,-0.2 -21,-0.3 -18,-0.1 -0.925 18.3-175.1-113.4 130.9 0.5 62.8 58.4 75 86 A S E S+ 0 0 51 21,-2.6 2,-0.3 -2,-0.4 22,-0.2 0.821 72.1 23.9 -91.0 -32.7 -2.3 60.5 57.2 76 87 A R E -O 96 0C 121 20,-1.4 20,-2.5 -23,-0.1 2,-0.5 -0.990 51.7-161.2-142.7 142.1 -0.6 57.1 57.8 77 88 A I E -O 95 0C 18 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.975 16.9-173.5-118.4 113.4 2.1 55.6 59.9 78 89 A I E -O 94 0C 12 16,-3.4 16,-3.3 -2,-0.5 2,-0.4 -0.924 3.0-173.9-114.9 111.2 3.4 52.3 58.5 79 90 A V E -O 93 0C 9 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.869 37.1-100.0-107.1 132.5 5.8 50.3 60.7 80 91 A H > - 0 0 22 12,-1.8 3,-2.0 -2,-0.4 12,-0.1 -0.240 30.7-136.3 -49.7 123.6 7.7 47.2 59.6 81 92 A P T 3 S+ 0 0 54 0, 0.0 820,-3.5 0, 0.0 -1,-0.2 0.702 99.8 63.4 -56.6 -23.8 5.7 44.3 61.2 82 93 A Q T 3 S+ 0 0 105 818,-0.2 2,-0.2 8,-0.1 818,-0.1 0.586 85.1 104.9 -79.7 -8.8 8.9 42.5 62.3 83 94 A F < + 0 0 3 -3,-2.0 7,-0.1 7,-0.2 3,-0.1 -0.508 17.9 134.6 -83.1 141.6 9.8 45.4 64.6 84 95 A Y S S+ 0 0 24 1,-0.6 2,-0.3 5,-0.5 -1,-0.2 0.397 78.8 5.4-142.7 -44.4 9.7 45.5 68.3 85 96 A T > - 0 0 15 4,-0.3 4,-1.7 1,-0.1 -1,-0.6 -0.957 68.4-118.5-142.1 159.2 13.0 47.0 69.5 86 97 A A T 4 S+ 0 0 9 -2,-0.3 5,-0.2 1,-0.2 128,-0.1 0.853 110.6 56.7 -68.3 -36.5 16.0 48.5 67.6 87 98 A Q T 4 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.1 89,-0.2 0.871 107.5 49.0 -63.6 -37.1 18.5 45.9 68.9 88 99 A I T 4 S- 0 0 30 1,-0.2 2,-0.2 2,-0.0 -1,-0.2 0.924 113.3-127.9 -70.4 -42.0 16.4 43.0 67.5 89 100 A G S < S+ 0 0 6 -4,-1.7 -5,-0.5 1,-0.1 -4,-0.3 -0.756 77.6 100.7 129.9-176.7 16.0 44.7 64.1 90 101 A A + 0 0 2 -2,-0.2 2,-2.1 1,-0.2 -7,-0.2 0.886 46.3 169.9 58.7 40.6 13.7 45.8 61.3 91 102 A D + 0 0 0 -5,-0.2 2,-0.3 -48,-0.1 137,-0.2 -0.515 33.4 108.9 -84.6 74.5 14.0 49.4 62.6 92 103 A I + 0 0 0 -2,-2.1 -12,-1.8 -50,-0.3 2,-0.3 -0.989 36.5 166.3-148.7 152.6 12.3 51.0 59.7 93 104 A A E -MO 41 79C 0 -52,-2.0 -52,-2.3 -2,-0.3 2,-0.4 -0.989 22.5-131.1-161.2 165.6 9.0 52.8 59.0 94 105 A L E -MO 40 78C 0 -16,-3.3 -16,-3.4 -2,-0.3 2,-0.5 -0.964 7.7-159.1-129.3 143.4 7.1 54.9 56.5 95 106 A L E -MO 39 77C 0 -56,-2.3 -56,-2.3 -2,-0.4 2,-0.6 -0.985 10.5-151.5-120.6 123.9 5.0 58.1 56.9 96 107 A E E -MO 38 76C 44 -20,-2.5 -21,-2.6 -2,-0.5 -20,-1.4 -0.862 15.7-138.6 -98.8 123.1 2.4 59.0 54.3 97 108 A L E - 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