==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 15-APR-08 2K2Y . COMPND 2 MOLECULE: CARBOXYPEPTIDASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIPICEPHALUS BURSA; . AUTHOR D.PANTOJA-UCEDA,F.BLANCO . 39 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 30.8 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 . 2 5.1 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 . 0 0.0 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-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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.6 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 2 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 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N > 0 0 143 0, 0.0 4,-1.8 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 98.5 15.6 19.5 32.5 2 2 A E H > + 0 0 113 1,-0.2 4,-1.7 2,-0.2 6,-0.2 0.869 360.0 49.0 -64.7 -42.6 18.0 16.7 31.5 3 3 A a H 4>S+ 0 0 2 2,-0.2 5,-1.8 1,-0.2 4,-0.2 0.864 110.0 50.8 -68.6 -39.1 20.5 19.1 29.7 4 4 A V H >45S+ 0 0 89 22,-0.3 3,-1.1 2,-0.2 -2,-0.2 0.887 108.5 52.8 -67.0 -40.3 20.6 21.6 32.7 5 5 A S H 3<5S+ 0 0 100 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.919 109.8 48.4 -56.0 -48.0 21.3 18.7 35.1 6 6 A K T 3<5S- 0 0 123 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.435 118.9-115.1 -73.6 -3.8 24.3 17.7 32.8 7 7 A G T < 5 + 0 0 56 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.405 68.8 138.4 84.1 0.4 25.5 21.4 32.8 8 8 A F < - 0 0 53 -5,-1.8 -1,-0.2 -6,-0.2 25,-0.1 -0.232 43.6-132.3 -72.0 165.4 24.9 21.9 29.0 9 9 A G - 0 0 25 23,-0.4 23,-0.4 -2,-0.0 2,-0.3 0.032 18.8-106.5 -97.8-158.4 23.4 25.0 27.3 10 10 A b - 0 0 80 21,-0.2 21,-0.1 -2,-0.0 23,-0.1 -0.944 31.3-173.3-147.2 116.5 20.6 25.5 24.7 11 11 A L - 0 0 49 -2,-0.3 19,-0.2 1,-0.1 22,-0.0 -0.727 28.8 -97.5-110.5 159.1 21.4 26.5 21.0 12 12 A P > - 0 0 70 0, 0.0 4,-1.4 0, 0.0 3,-0.4 -0.207 38.5-101.4 -73.3 168.3 19.0 27.5 18.1 13 13 A Q T 4 S+ 0 0 150 1,-0.2 18,-0.0 2,-0.2 -2,-0.0 0.519 119.4 45.3 -68.3 -8.7 17.9 25.1 15.4 14 14 A S T 4 S+ 0 0 101 3,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.685 109.9 47.9-107.2 -29.7 20.4 26.6 12.9 15 15 A D T 4 S+ 0 0 112 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.0 0.735 95.0 78.2 -91.3 -26.1 23.7 26.8 14.9 16 16 A c S < S- 0 0 21 -4,-1.4 -1,-0.1 2,-0.0 5,-0.0 -0.788 74.6-148.2 -85.1 110.5 23.7 23.3 16.4 17 17 A P >> - 0 0 60 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.274 29.6-102.5 -70.8 167.2 24.8 20.7 13.8 18 18 A Q T 34 S+ 0 0 152 1,-0.2 -2,-0.0 2,-0.2 0, 0.0 0.530 122.5 54.6 -69.4 -8.2 23.5 17.1 13.7 19 19 A E T 34 S+ 0 0 187 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.701 110.5 43.5 -92.5 -28.3 26.8 15.9 15.3 20 20 A A T <4 S+ 0 0 8 -3,-0.8 13,-1.7 2,-0.1 -2,-0.2 0.584 86.5 109.5 -97.2 -15.4 26.5 18.3 18.3 21 21 A R B < -A 32 0A 153 -4,-1.3 11,-0.2 11,-0.2 2,-0.2 -0.358 66.5-128.9 -60.1 139.4 22.8 17.8 19.1 22 22 A L - 0 0 42 9,-1.8 9,-0.3 2,-0.1 -1,-0.1 -0.587 10.5-123.1 -94.1 158.4 22.1 15.8 22.3 23 23 A S S S+ 0 0 118 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.229 81.4 92.2 -80.2 9.1 19.9 12.8 22.7 24 24 A Y S S- 0 0 103 7,-0.1 7,-0.3 1,-0.0 3,-0.2 -0.556 73.9-132.4-112.9 169.0 17.8 14.5 25.5 25 25 A G + 0 0 74 -2,-0.2 -2,-0.0 1,-0.1 5,-0.0 -0.188 61.3 128.3-107.1 32.1 14.6 16.7 26.0 26 26 A G + 0 0 11 -25,-0.2 -22,-0.3 2,-0.0 2,-0.2 0.405 67.4 46.6 -76.6 -0.0 16.4 19.3 28.2 27 27 A b S S- 0 0 35 -3,-0.2 4,-0.2 -24,-0.1 -25,-0.1 -0.561 89.5-107.9-125.1-172.2 15.1 22.3 26.1 28 28 A S S S- 0 0 131 2,-0.3 3,-0.1 -2,-0.2 -3,-0.0 0.423 108.4 -0.9-105.9 -4.0 11.8 23.4 24.5 29 29 A T S S- 0 0 97 1,-0.3 2,-0.3 -17,-0.0 -2,-0.0 0.343 132.6 -8.3-144.3 -55.6 12.7 22.7 20.8 30 30 A V - 0 0 52 -19,-0.2 2,-0.3 -4,-0.0 -2,-0.3 -0.982 55.3-148.5-145.8 152.3 16.3 21.3 20.6 31 31 A a - 0 0 6 -9,-0.3 -9,-1.8 -7,-0.3 2,-0.3 -0.950 14.1-172.4-121.8 144.2 19.3 20.9 23.0 32 32 A c B -A 21 0A 1 -23,-0.4 -23,-0.4 -2,-0.3 -11,-0.2 -0.960 21.1-115.9-135.2 149.6 23.0 21.1 22.1 33 33 A D - 0 0 25 -13,-1.7 -13,-0.0 -2,-0.3 -26,-0.0 -0.128 3.9-149.2 -74.9 175.4 26.2 20.4 24.0 34 34 A L >> + 0 0 66 -25,-0.1 3,-1.4 2,-0.1 4,-0.8 0.231 67.9 106.8-125.2 5.3 29.0 22.9 25.0 35 35 A S H 3> + 0 0 65 1,-0.3 4,-0.9 2,-0.2 -1,-0.0 0.684 67.7 68.4 -67.4 -19.9 32.0 20.4 24.9 36 36 A K H 34 S+ 0 0 124 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.774 97.0 54.4 -68.0 -27.7 33.4 21.9 21.6 37 37 A L H <4 S+ 0 0 151 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 111.8 42.7 -72.0 -40.0 34.3 25.1 23.6 38 38 A T H < 0 0 125 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.589 360.0 360.0 -79.8 -12.9 36.3 23.1 26.2 39 39 A G < 0 0 88 -4,-0.9 -1,-0.3 0, 0.0 -2,-0.2 -0.504 360.0 360.0 175.6 360.0 37.9 20.9 23.4