==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAY-02 1LTO . COMPND 2 MOLECULE: ALPHA TRYPTASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.MARQUARDT,F.ZETTL,R.HUBER,W.BODE,C.P.SOMMERHOFF . 972 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 600 61.7 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 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 68 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 121 12.4 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 4 1 0 2 1 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 . 26 7 8 16 5 7 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 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 118.6 22.2 17.7 86.4 2 17 A V B -A 188 0A 11 186,-3.3 186,-1.7 1,-0.2 132,-0.1 -0.867 360.0 -1.5-100.1 126.1 20.2 16.8 83.3 3 18 A G S S+ 0 0 53 -2,-0.5 146,-0.2 130,-0.5 -1,-0.2 0.681 102.9 116.2 73.6 22.0 17.6 19.2 82.0 4 19 A G - 0 0 26 -3,-0.3 2,-0.3 144,-0.1 144,-0.3 -0.020 56.2-121.5-101.5-149.3 18.0 21.8 84.8 5 20 A Q E -B 147 0B 119 142,-2.4 142,-2.6 -3,-0.1 2,-0.2 -0.912 37.7 -78.2-147.6 169.3 19.1 25.4 84.9 6 21 A E E -B 146 0B 87 -2,-0.3 140,-0.3 140,-0.2 139,-0.1 -0.495 55.2-113.3 -72.5 142.4 21.8 27.3 86.6 7 22 A A - 0 0 2 138,-3.0 138,-0.2 -2,-0.2 -1,-0.1 -0.574 23.8-109.1 -86.0 143.0 21.0 28.0 90.2 8 23 A P > - 0 0 57 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.333 33.4-115.2 -60.3 142.3 20.3 31.5 91.7 9 24 A R T 3 S+ 0 0 155 1,-0.3 -2,-0.1 4,-0.0 54,-0.0 0.742 114.2 54.6 -55.9 -24.3 23.1 32.6 93.9 10 25 A S T 3 S+ 0 0 97 2,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.692 90.8 90.6 -85.4 -18.8 20.7 32.6 96.9 11 26 A K S < S+ 0 0 63 -3,-1.4 -4,-0.0 1,-0.2 0, 0.0 -0.460 86.2 11.9 -81.8 150.8 19.5 29.0 96.5 12 27 A W > + 0 0 3 -2,-0.1 3,-1.7 1,-0.1 -1,-0.2 0.897 58.2 174.3 57.6 52.5 21.1 25.9 98.2 13 28 A P T 3 S+ 0 0 8 0, 0.0 95,-0.4 0, 0.0 48,-0.4 0.563 75.8 63.2 -66.5 -1.3 23.5 27.4 100.6 14 29 A W T 3 S+ 0 0 10 93,-0.2 19,-1.9 95,-0.1 96,-0.1 0.613 73.6 115.7 -95.2 -14.9 24.2 23.9 101.9 15 30 A Q E < -J 32 0C 0 -3,-1.7 46,-0.6 17,-0.2 2,-0.3 -0.255 43.2-176.3 -57.9 134.5 25.7 22.5 98.7 16 31 A V E -JK 31 60C 0 15,-2.1 15,-0.9 44,-0.2 2,-0.4 -0.909 20.3-136.6-130.7 163.5 29.3 21.5 99.0 17 32 A S E -JK 30 59C 0 42,-3.2 42,-2.9 -2,-0.3 2,-0.5 -0.981 13.0-145.4-120.9 132.6 32.0 20.2 96.6 18 33 A L E -JK 29 58C 0 11,-2.5 10,-2.0 -2,-0.4 11,-0.8 -0.856 20.8-160.1 -97.6 129.1 34.3 17.4 97.5 19 34 A R E -JK 27 57C 0 38,-2.6 38,-1.8 -2,-0.5 2,-0.4 -0.902 13.3-167.3-118.9 141.5 37.8 17.7 96.0 20 35 A V E -JK 26 56C 53 6,-2.3 6,-1.9 -2,-0.4 2,-0.6 -0.956 32.3-111.4-121.7 139.6 40.6 15.2 95.4 21 36 A R E +J 25 0C 131 34,-1.0 4,-0.2 -2,-0.4 2,-0.1 -0.619 58.1 132.0 -79.5 118.9 44.1 16.4 94.5 22 37 A D S S- 0 0 103 2,-2.3 3,-0.1 -2,-0.6 -1,-0.1 -0.031 91.8 -35.6-126.9-124.5 45.2 15.6 91.0 23 37AA R S S+ 0 0 149 -2,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.745 141.6 3.1 -74.8 -21.3 46.8 18.3 88.8 24 37BA Y S S- 0 0 48 -4,-0.2 -2,-2.3 360,-0.0 2,-1.9 -0.899 102.7 -75.0-148.3 174.8 44.3 20.5 90.7 25 38 A W E -J 21 0C 47 -2,-0.3 -4,-0.2 -4,-0.2 2,-0.2 -0.576 64.9-163.4 -79.7 85.5 41.7 20.1 93.5 26 39 A M E -J 20 0C 68 -2,-1.9 -6,-2.3 -6,-1.9 2,-0.2 -0.479 19.8-116.6 -81.9 137.0 39.2 18.4 91.3 27 40 A H E +J 19 0C 23 -2,-0.2 -8,-0.2 -8,-0.2 3,-0.1 -0.471 40.8 158.5 -65.6 129.7 35.5 17.9 92.0 28 41 A F E + 0 0 60 -10,-2.0 2,-0.3 1,-0.4 -1,-0.1 0.474 63.2 0.0-129.6 -11.5 34.5 14.2 92.3 29 42 A a E -J 18 0C 5 -11,-0.8 -11,-2.5 164,-0.1 -1,-0.4 -0.979 63.5-117.2-168.9 162.2 31.2 14.4 94.3 30 43 A G E +J 17 0C 0 164,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.331 28.5 175.4 -96.8-175.6 28.7 16.6 95.9 31 44 A G E -J 16 0C 0 -15,-0.9 -15,-2.1 10,-0.1 2,-0.4 -0.955 21.2-122.7-172.3 176.0 27.7 16.9 99.5 32 45 A S E -JL 15 40C 0 8,-2.2 8,-3.2 -2,-0.3 2,-0.7 -0.998 19.1-122.9-139.7 141.5 25.5 18.9 101.9 33 46 A L E + L 0 39C 0 -19,-1.9 77,-2.1 -2,-0.4 6,-0.2 -0.737 35.7 164.6 -81.3 114.1 26.2 20.9 105.1 34 47 A I E S+ 0 0 17 4,-2.4 78,-0.2 -2,-0.7 5,-0.2 0.487 71.1 11.2-108.0 -5.1 24.0 19.3 107.8 35 48 A H E > S- L 0 38C 17 3,-1.2 3,-1.8 76,-0.1 -1,-0.4 -0.926 90.2 -97.1-164.7 149.0 25.8 20.9 110.8 36 49 A P T 3 S+ 0 0 27 0, 0.0 65,-3.4 0, 0.0 63,-0.1 0.628 126.6 26.7 -47.8 -18.0 28.4 23.7 111.0 37 50 A Q T 3 S+ 0 0 45 63,-0.3 60,-3.2 1,-0.1 2,-0.5 0.358 112.1 79.9-128.1 2.0 31.1 21.0 111.2 38 51 A W E < -LM 35 96C 10 -3,-1.8 -4,-2.4 58,-0.2 -3,-1.2 -0.945 51.3-166.3-125.0 131.3 29.5 18.1 109.4 39 52 A V E -LM 33 95C 0 56,-2.8 56,-2.4 -2,-0.5 2,-0.5 -0.900 12.3-148.8-109.7 135.5 29.0 17.3 105.7 40 53 A L E +LM 32 94C 0 -8,-3.2 -8,-2.2 -2,-0.4 2,-0.2 -0.873 33.8 143.5-102.5 130.5 26.6 14.6 104.5 41 54 A T E - M 0 93C 0 52,-2.3 52,-2.0 -2,-0.5 2,-0.4 -0.816 50.1 -71.0-149.8-172.8 27.6 12.7 101.3 42 55 A A >> - 0 0 0 -12,-0.4 3,-1.3 50,-0.2 4,-0.6 -0.753 29.8-136.3 -95.7 140.5 27.4 9.3 99.7 43 56 A A H >> S+ 0 0 0 -2,-0.4 4,-2.0 1,-0.3 3,-1.5 0.879 102.4 61.5 -57.6 -42.1 29.6 6.4 100.9 44 57 A H H 34 S+ 0 0 47 1,-0.3 -1,-0.3 2,-0.2 169,-0.0 0.717 94.4 65.5 -61.6 -19.5 30.6 5.3 97.4 45 58 A a H <4 S+ 0 0 15 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.811 110.2 35.0 -70.0 -32.4 32.2 8.7 96.8 46 59 A L H << S+ 0 0 6 -3,-1.5 -2,-0.2 -4,-0.6 -1,-0.2 0.751 113.8 99.5 -93.6 -27.4 34.8 7.9 99.5 47 60 A G < + 0 0 12 -4,-2.0 2,-0.2 1,-0.1 3,-0.1 0.041 25.3 62.6 -73.5-171.8 35.2 4.2 98.8 48 60AA P S S+ 0 0 100 0, 0.0 851,-1.0 0, 0.0 852,-0.3 -0.807 110.3 27.5 -77.5 -47.1 36.1 1.6 97.9 49 60BA D B S-P 898 0D 68 -2,-0.2 849,-0.2 849,-0.2 2,-0.1 -0.403 100.3 -88.7 -74.2 149.3 39.5 1.6 99.7 50 60CA V - 0 0 78 847,-1.9 2,-0.3 -2,-0.1 -1,-0.1 -0.393 51.2-138.7 -57.9 127.7 40.0 3.5 102.9 51 60DA K - 0 0 80 -2,-0.1 2,-0.4 -3,-0.1 26,-0.1 -0.702 8.8-117.1 -96.8 145.2 41.1 7.0 101.8 52 60EA D > - 0 0 104 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.674 21.9-133.9 -79.0 127.7 43.8 9.1 103.4 53 61 A L G > S+ 0 0 65 -2,-0.4 3,-2.0 1,-0.3 21,-0.3 0.806 98.8 67.3 -47.4 -40.1 42.4 12.4 104.8 54 62 A A G 3 S+ 0 0 58 1,-0.3 -1,-0.3 19,-0.1 -2,-0.0 0.530 92.3 60.6 -65.9 -6.0 45.1 14.6 103.3 55 63 A T G < S+ 0 0 55 -3,-2.0 -34,-1.0 -35,-0.1 2,-0.4 0.349 97.5 74.4-100.7 5.1 43.9 13.9 99.7 56 64 A L E < +K 20 0C 8 -3,-2.0 18,-0.5 -36,-0.2 2,-0.3 -0.939 51.4 173.5-125.7 142.2 40.5 15.4 100.4 57 65 A R E -K 19 0C 58 -38,-1.8 -38,-2.6 -2,-0.4 2,-0.4 -0.951 22.3-135.6-136.5 157.8 39.2 18.9 100.8 58 66 A V E -KN 18 72C 0 14,-2.3 14,-3.0 -2,-0.3 2,-0.5 -0.936 12.7-162.2-116.8 139.8 35.7 20.3 101.1 59 67 A Q E -K 17 0C 8 -42,-2.9 -42,-3.2 -2,-0.4 3,-0.1 -0.988 13.4-141.5-123.1 122.5 34.5 23.4 99.2 60 68 A L E -K 16 0C 17 -2,-0.5 -44,-0.2 10,-0.5 10,-0.1 -0.210 54.9 -39.1 -73.4 170.4 31.4 25.3 100.4 61 69 A R + 0 0 21 -46,-0.6 2,-0.3 -48,-0.4 -1,-0.2 0.100 64.3 172.1 -32.2 129.0 28.8 26.9 98.1 62 70 A E - 0 0 14 -3,-0.1 3,-0.2 1,-0.1 83,-0.2 -0.967 34.1-144.1-140.5 140.8 30.4 28.5 95.0 63 71 A Q S S+ 0 0 16 -2,-0.3 82,-2.1 1,-0.3 2,-0.4 0.879 98.0 29.5 -74.2 -36.4 28.3 29.8 92.1 64 72 A H B >> S-Q 144 0E 34 80,-0.2 3,-1.4 -3,-0.1 4,-0.6 -0.970 93.1-119.0-127.1 117.9 31.1 28.5 89.8 65 73 A L T 34 S+ 0 0 4 78,-2.0 -4,-0.0 -2,-0.4 -2,-0.0 -0.213 93.6 6.9 -53.9 139.1 33.3 25.6 90.6 66 74 A Y T >4 S+ 0 0 16 319,-0.1 3,-0.6 1,-0.1 -1,-0.2 0.107 101.0 100.3 77.1 -19.3 37.0 26.4 91.0 67 75 A Y T <4 S+ 0 0 70 -3,-1.4 -2,-0.1 75,-0.2 -1,-0.1 0.956 97.6 13.2 -64.7 -54.0 36.7 30.2 90.7 68 79 A Q T 3< S- 0 0 140 -4,-0.6 -1,-0.2 2,-0.0 -3,-0.1 -0.249 84.5-178.1-120.4 50.4 36.9 31.2 94.3 69 80 A D < + 0 0 57 -3,-0.6 2,-0.2 1,-0.1 -10,-0.1 -0.166 18.3 171.3 -54.2 132.8 38.2 28.1 96.1 70 81 A Q - 0 0 148 -10,-0.1 -10,-0.5 -12,-0.1 2,-0.2 -0.756 26.8-157.9-140.4 76.6 38.6 28.2 99.9 71 82 A L - 0 0 45 -2,-0.2 -12,-0.2 -12,-0.1 -2,-0.0 -0.408 2.0-151.5 -66.9 134.0 39.3 24.5 100.4 72 83 A L B -N 58 0C 57 -14,-3.0 -14,-2.3 -2,-0.2 2,-0.1 -0.868 11.9-123.7-112.1 136.6 38.7 23.1 103.9 73 84 A P - 0 0 44 0, 0.0 25,-2.2 0, 0.0 2,-0.4 -0.411 19.3-135.7 -75.6 155.9 40.4 20.2 105.6 74 85 A V E -O 97 0C 5 -18,-0.5 23,-0.3 -21,-0.3 -18,-0.1 -0.912 14.5-171.5-111.8 136.4 38.5 17.1 106.9 75 86 A S E S+ 0 0 45 21,-3.0 2,-0.3 -2,-0.4 22,-0.2 0.638 72.1 22.7-102.2 -16.2 39.3 15.6 110.3 76 87 A R E -O 96 0C 101 20,-1.5 20,-2.7 -23,-0.1 2,-0.5 -0.988 54.3-162.7-154.7 139.1 37.2 12.5 110.1 77 88 A I E -O 95 0C 27 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.991 12.1-175.0-122.3 119.5 35.6 10.3 107.4 78 89 A I E -O 94 0C 18 16,-3.1 16,-2.4 -2,-0.5 2,-0.4 -0.898 2.4-172.6-121.6 102.8 32.8 8.0 108.6 79 90 A V E -O 93 0C 13 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.753 39.1 -98.9 -93.3 133.6 31.5 5.6 105.9 80 91 A H > - 0 0 16 12,-2.2 3,-2.2 -2,-0.4 821,-0.1 -0.284 27.9-138.8 -54.7 125.3 28.4 3.6 106.8 81 92 A P T 3 S+ 0 0 49 0, 0.0 820,-2.5 0, 0.0 -1,-0.2 0.727 100.1 60.9 -58.7 -24.0 29.7 0.1 107.8 82 93 A Q T 3 S+ 0 0 93 818,-0.2 2,-0.4 8,-0.1 -2,-0.1 0.626 83.2 108.6 -78.5 -12.4 26.8 -1.6 105.9 83 94 A F < + 0 0 15 -3,-2.2 7,-0.1 7,-0.2 3,-0.1 -0.512 19.5 134.3 -76.6 128.8 28.0 -0.1 102.6 84 95 A Y S S+ 0 0 61 1,-0.5 2,-0.3 5,-0.4 -1,-0.2 0.557 73.7 1.7-129.9 -49.5 29.6 -2.3 100.0 85 96 A I > - 0 0 20 4,-0.2 3,-1.8 1,-0.1 -1,-0.5 -0.986 67.2-110.6-145.2 157.4 28.0 -1.2 96.7 86 97 A I G > S+ 0 0 28 -2,-0.3 3,-1.8 1,-0.3 5,-0.2 0.916 112.6 57.1 -48.7 -55.9 25.4 1.2 95.4 87 98 A Q G 3 S+ 0 0 41 1,-0.3 -1,-0.3 -3,-0.1 89,-0.1 0.518 103.0 54.4 -58.5 -7.8 22.8 -1.5 94.6 88 99 A T G < S- 0 0 35 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.124 102.8-132.9-115.1 22.1 22.7 -2.8 98.2 89 100 A G S < S+ 0 0 3 -3,-1.8 -5,-0.4 1,-0.1 -1,-0.3 -0.114 73.7 107.1 69.7-161.1 21.9 0.5 99.9 90 101 A A + 0 0 2 1,-0.2 2,-1.9 -7,-0.1 -7,-0.2 0.769 45.1 160.5 53.0 28.9 23.4 2.1 102.9 91 102 A D + 0 0 0 -5,-0.2 2,-0.3 87,-0.1 -1,-0.2 -0.555 31.1 108.9 -81.9 80.7 25.1 4.6 100.5 92 103 A I + 0 0 0 -2,-1.9 -12,-2.2 -50,-0.3 2,-0.3 -0.992 35.9 167.1-154.9 153.1 25.8 7.3 103.0 93 104 A A E -MO 41 79C 0 -52,-2.0 -52,-2.3 -2,-0.3 2,-0.4 -0.986 20.8-132.9-162.7 165.8 28.7 8.8 104.8 94 105 A L E -MO 40 78C 0 -16,-2.4 -16,-3.1 -2,-0.3 2,-0.5 -0.962 5.4-158.6-132.2 145.7 29.8 11.8 106.9 95 106 A L E -MO 39 77C 0 -56,-2.4 -56,-2.8 -2,-0.4 2,-0.6 -0.988 10.1-151.9-123.9 125.8 32.7 14.1 106.9 96 107 A E E -MO 38 76C 44 -20,-2.7 -21,-3.0 -2,-0.5 -20,-1.5 -0.895 21.6-131.1 -98.9 122.4 33.7 16.0 110.0 97 108 A L E - 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