==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-AUG-09 2KMO . COMPND 2 MOLECULE: LEECH-DERIVED TRYPTASE INHIBITOR C; . SOURCE 2 ORGANISM_SCIENTIFIC: HIRUDO MEDICINALIS; . AUTHOR D.PANTOJA-UCEDA,J.SANTORO . 44 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 18.2 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 . 1 2.3 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-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 . 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 . 4 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.3 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 0 0 1 0 0 0 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 . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 1 A K 0 0 235 0, 0.0 2,-1.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 27.1 -12.9 -5.5 -2.7 2 2 A K + 0 0 215 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.355 360.0 174.7 -81.5 57.9 -11.9 -5.4 1.1 3 3 A V - 0 0 116 -2,-1.9 2,-0.1 1,-0.1 23,-0.0 -0.380 35.2-102.9 -67.0 142.3 -9.7 -2.2 0.5 4 4 A a - 0 0 52 1,-0.1 2,-1.3 22,-0.1 -1,-0.1 -0.415 33.5-109.5 -64.4 139.2 -8.1 -0.5 3.6 5 5 A A + 0 0 109 -2,-0.1 -1,-0.1 20,-0.1 -2,-0.0 -0.593 60.1 153.8 -72.0 92.7 -9.8 2.8 4.8 6 6 A b - 0 0 39 -2,-1.3 -3,-0.0 1,-0.1 2,-0.0 -0.833 43.2 -96.1-121.6 159.3 -7.1 5.3 3.8 7 7 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 18,-0.0 -0.232 27.5-115.8 -76.8 165.2 -7.2 9.1 2.9 8 8 A K + 0 0 205 2,-0.1 -2,-0.0 -2,-0.0 0, 0.0 0.509 68.8 133.1 -75.8 -8.1 -7.5 10.7 -0.6 9 9 A I - 0 0 107 1,-0.1 2,-1.5 2,-0.1 -3,-0.0 -0.185 60.3-130.5 -56.0 131.9 -4.0 12.4 -0.3 10 10 A L + 0 0 158 1,-0.1 13,-0.1 13,-0.0 -1,-0.1 -0.634 59.6 131.9 -84.3 79.0 -1.7 12.1 -3.3 11 11 A K - 0 0 144 -2,-1.5 13,-0.4 11,-1.0 -1,-0.1 -0.530 36.7-174.9-127.4 63.1 1.5 10.9 -1.4 12 12 A P - 0 0 46 0, 0.0 26,-2.5 0, 0.0 2,-0.3 -0.089 4.0-165.4 -64.9 162.0 2.7 7.9 -3.4 13 13 A V E -AB 21 37A 15 8,-0.7 8,-0.9 24,-0.3 2,-0.7 -0.960 25.8-109.6-142.8 154.6 5.6 5.6 -2.5 14 14 A c E -AB 20 36A 6 22,-2.6 21,-3.0 -2,-0.3 22,-1.0 -0.830 35.9-145.2 -89.3 113.8 7.9 2.9 -4.1 15 15 A G E > - B 0 34A 1 4,-2.9 3,-1.5 -2,-0.7 19,-0.3 -0.360 25.3-108.8 -69.7 160.4 7.0 -0.6 -2.7 16 16 A S T 3 S+ 0 0 71 17,-2.4 18,-0.1 1,-0.3 -1,-0.1 0.737 122.2 55.9 -64.8 -23.3 9.7 -3.3 -2.3 17 17 A D T 3 S- 0 0 139 16,-0.3 -1,-0.3 2,-0.1 17,-0.1 0.653 123.1-107.9 -76.6 -19.1 8.2 -5.2 -5.2 18 18 A G S < S+ 0 0 41 -3,-1.5 22,-0.2 1,-0.4 -2,-0.1 0.209 77.2 132.4 104.5 -7.9 8.7 -2.0 -7.4 19 19 A R - 0 0 150 -5,-0.1 -4,-2.9 20,-0.1 2,-0.4 -0.259 50.4-133.5 -67.2 156.8 4.9 -1.2 -7.5 20 20 A T E +A 14 0A 58 -6,-0.2 2,-0.2 19,-0.1 -6,-0.2 -0.944 25.3 177.7-113.6 136.3 3.4 2.3 -6.8 21 21 A Y E -A 13 0A 22 -8,-0.9 -8,-0.7 -2,-0.4 3,-0.1 -0.767 44.3 -93.4-129.2 174.2 0.3 2.8 -4.6 22 22 A A S S- 0 0 60 -2,-0.2 -11,-1.0 -10,-0.2 2,-0.2 0.902 91.4 -40.4 -57.6 -50.7 -1.8 5.8 -3.3 23 23 A N > - 0 0 17 -13,-0.1 4,-2.3 -11,-0.1 3,-0.3 -0.939 69.2 -73.3-162.3-176.7 0.2 6.3 0.0 24 24 A S H > S+ 0 0 59 -13,-0.4 4,-2.9 -2,-0.2 5,-0.3 0.890 121.3 62.5 -57.0 -39.9 2.0 4.5 3.0 25 25 A b H > S+ 0 0 54 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.891 112.2 34.9 -55.5 -45.9 -1.5 3.6 4.5 26 26 A I H > S+ 0 0 26 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.925 116.2 55.3 -76.0 -43.0 -2.4 1.4 1.5 27 27 A A H <>S+ 0 0 1 -4,-2.3 5,-1.4 1,-0.2 -2,-0.2 0.908 111.0 44.2 -56.3 -48.9 1.1 0.2 0.8 28 28 A R H ><5S+ 0 0 157 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.878 112.8 52.1 -61.2 -42.6 1.5 -1.2 4.5 29 29 A a H 3<5S+ 0 0 65 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.830 99.0 64.2 -70.2 -30.8 -2.0 -2.7 4.4 30 30 A N T 3<5S- 0 0 91 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.515 121.4-108.3 -66.3 -7.3 -1.1 -4.5 1.1 31 31 A G T < 5S+ 0 0 73 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.655 81.5 111.7 89.1 18.9 1.6 -6.5 3.1 32 32 A V < - 0 0 35 -5,-1.4 -1,-0.3 -16,-0.0 2,-0.2 -0.794 58.7-129.6-119.7 158.5 4.7 -4.7 1.6 33 33 A S - 0 0 61 -2,-0.3 -17,-2.4 2,-0.0 2,-0.3 -0.659 27.3-115.0 -96.5 166.1 7.5 -2.3 2.8 34 34 A I E -B 15 0A 65 -19,-0.3 -19,-0.3 -2,-0.2 3,-0.1 -0.808 17.2-169.1-102.7 142.4 8.5 1.0 1.0 35 35 A K E S- 0 0 172 -21,-3.0 2,-0.3 1,-0.4 -20,-0.1 0.731 73.2 -19.4 -97.5 -31.3 12.0 1.5 -0.5 36 36 A S E S-B 14 0A 58 -22,-1.0 -22,-2.6 2,-0.2 -1,-0.4 -0.970 72.7 -86.0-162.4 169.6 11.5 5.3 -1.1 37 37 A E E S+B 13 0A 177 -2,-0.3 -24,-0.3 -24,-0.2 -26,-0.0 -0.450 85.8 33.7 -76.6 160.4 8.9 8.2 -1.4 38 38 A G S S- 0 0 30 -26,-2.5 -2,-0.2 -2,-0.1 2,-0.1 0.087 103.7 -48.5 77.1 166.3 7.2 9.0 -4.8 39 39 A S - 0 0 85 -27,-0.1 -25,-0.2 -19,-0.1 -19,-0.1 -0.382 61.6-117.4 -64.1 146.7 6.2 6.7 -7.6 40 40 A c - 0 0 41 -27,-0.3 -20,-0.1 -22,-0.2 -1,-0.1 -0.630 29.2-105.8 -87.1 146.7 8.9 4.1 -8.8 41 41 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.354 17.5-128.8 -70.3 152.2 10.3 4.2 -12.4 42 42 A T - 0 0 157 -2,-0.1 -2,-0.0 1,-0.1 -23,-0.0 0.634 64.7 -83.6 -75.1 -13.6 9.2 1.5 -14.9 43 43 A G 0 0 64 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.800 360.0 360.0 104.4 72.8 12.9 0.7 -15.7 44 44 A I 0 0 235 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.348 360.0 360.0 -61.8 360.0 14.5 3.1 -18.4