==== 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 2K2Z . 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) . 3546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 28.2 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 . 5 12.8 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 . 3 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 5.1 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 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 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 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 0 0 ANTIPARALLEL 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 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 37 A L 0 0 226 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -74.1 25.2 34.9 14.3 2 38 A T - 0 0 92 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.784 360.0-158.4-103.9 139.2 26.5 31.8 16.1 3 39 A G S S+ 0 0 3 -2,-0.3 2,-0.2 33,-0.1 -1,-0.1 0.417 81.0 32.7 -94.5 -1.4 24.5 29.6 18.5 4 40 A a S S- 0 0 20 1,-0.1 5,-0.1 5,-0.1 -2,-0.1 -0.768 74.5-124.7-136.7-178.4 27.7 28.2 20.2 5 41 A K - 0 0 165 -2,-0.2 -1,-0.1 30,-0.1 31,-0.0 0.887 61.3 -81.6 -95.1 -66.9 31.3 29.3 21.0 6 42 A G S S+ 0 0 67 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.063 118.5 46.1-168.1 -72.1 33.7 26.7 19.4 7 43 A K S S- 0 0 214 1,-0.1 -3,-0.0 2,-0.0 0, 0.0 0.728 137.8 -63.4 -63.0 -23.5 34.4 23.4 21.2 8 44 A G - 0 0 21 2,-0.0 2,-0.3 20,-0.0 20,-0.1 0.279 59.4-132.2 162.0 -7.8 30.6 23.2 21.8 9 45 A G - 0 0 31 -5,-0.1 2,-0.4 25,-0.1 27,-0.1 -0.603 61.2 -39.3 71.5-131.5 29.4 26.2 23.9 10 46 A E E -A 35 0A 120 25,-0.8 25,-1.6 -2,-0.3 2,-0.3 -0.999 53.0-128.5-135.0 132.8 27.1 24.9 26.7 11 47 A b E +A 34 0A 60 -2,-0.4 23,-0.2 23,-0.2 -2,-0.0 -0.641 34.5 171.5 -80.9 130.8 24.4 22.2 26.6 12 48 A N E -A 33 0A 31 21,-2.4 21,-2.2 -2,-0.3 4,-0.1 -0.880 36.9 -86.1-134.0 161.0 20.9 23.2 28.0 13 49 A P E -A 32 0A 62 0, 0.0 3,-0.3 0, 0.0 19,-0.2 -0.284 35.5-118.8 -66.1 157.6 17.4 21.7 28.1 14 50 A L S S+ 0 0 86 17,-0.6 2,-1.5 1,-0.3 4,-0.2 0.859 111.1 64.1 -66.4 -38.7 15.0 22.3 25.1 15 51 A D S S+ 0 0 164 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.498 85.4 113.5 -84.6 63.4 12.6 24.1 27.4 16 52 A R S S- 0 0 158 -2,-1.5 2,-1.4 -3,-0.3 -4,-0.0 -0.961 75.7-115.9-132.3 152.3 15.0 26.9 28.1 17 53 A Q S S+ 0 0 206 -2,-0.3 2,-0.3 18,-0.0 -2,-0.1 -0.615 82.1 86.9 -87.4 73.7 15.2 30.7 27.3 18 54 A c S S- 0 0 41 -2,-1.4 -2,-0.2 -4,-0.2 19,-0.1 -0.953 82.2 -66.9-158.1 173.0 18.3 30.6 25.1 19 55 A K - 0 0 122 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.111 44.2-153.9 -57.9 169.2 19.3 30.0 21.4 20 56 A E - 0 0 106 15,-0.1 2,-0.2 13,-0.1 15,-0.1 -0.995 12.0-176.6-152.6 149.8 19.1 26.7 19.5 21 57 A L - 0 0 56 -2,-0.3 13,-0.1 13,-0.1 0, 0.0 -0.782 22.3-149.6-134.0 175.0 20.7 24.8 16.6 22 58 A Q S S+ 0 0 180 -2,-0.2 4,-0.3 3,-0.1 -1,-0.1 0.623 97.7 46.8-119.0 -33.5 20.2 21.5 14.6 23 59 A A S S+ 0 0 69 2,-0.1 3,-0.0 1,-0.1 4,-0.0 0.779 122.2 35.2 -80.1 -30.8 23.8 20.8 13.6 24 60 A E S >> S+ 0 0 90 2,-0.1 3,-1.2 1,-0.1 4,-0.6 0.563 98.9 75.8-105.8 -12.3 25.4 21.5 17.1 25 61 A S H 3> S+ 0 0 25 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.756 88.0 66.4 -65.5 -22.9 22.5 20.1 19.2 26 62 A A H 34 S+ 0 0 71 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.670 88.5 65.2 -68.9 -20.7 23.9 16.7 18.2 27 63 A S H <4 S+ 0 0 87 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.882 105.7 42.8 -67.3 -39.9 27.1 17.5 20.2 28 64 A b H < S- 0 0 29 -4,-0.6 2,-0.4 -3,-0.4 -2,-0.2 0.659 114.2-139.8 -74.3 -20.6 24.8 17.4 23.4 29 65 A G < - 0 0 30 -4,-0.7 2,-0.6 -5,-0.1 -1,-0.3 -0.815 49.5 -14.1 102.4-136.0 23.2 14.3 21.9 30 66 A K S S+ 0 0 212 -2,-0.4 3,-0.1 1,-0.1 -4,-0.1 -0.952 127.3 26.3-112.0 111.1 19.4 13.5 22.1 31 67 A G S S+ 0 0 54 -2,-0.6 -17,-0.6 1,-0.4 2,-0.3 0.308 109.5 64.8 121.3 -2.0 17.3 15.7 24.5 32 68 A Q E -A 13 0A 79 -7,-0.3 -1,-0.4 -3,-0.2 2,-0.3 -0.887 56.6-155.8-140.1 169.5 19.4 18.9 24.7 33 69 A K E -A 12 0A 3 -21,-2.2 -21,-2.4 -2,-0.3 2,-0.3 -0.909 28.3 -93.6-142.7 167.1 20.6 21.8 22.5 34 70 A a E -A 11 0A 0 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.636 42.1-177.4 -85.8 144.1 23.4 24.4 22.3 35 71 A c E -A 10 0A 3 -25,-1.6 -25,-0.8 -2,-0.3 2,-0.2 -0.842 14.4-139.8-136.4 171.2 23.0 27.9 23.8 36 72 A V - 0 0 38 -2,-0.3 -33,-0.1 -27,-0.1 -17,-0.0 -0.543 9.6-148.1-121.9-176.8 24.8 31.3 24.2 37 73 A W + 0 0 154 -2,-0.2 -1,-0.1 -19,-0.1 2,-0.0 0.479 66.4 93.6-135.1 -20.1 25.2 34.0 26.9 38 74 A L 0 0 118 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.179 360.0 360.0 -75.1 172.4 25.5 37.3 24.9 39 75 A H 0 0 253 -2,-0.0 -1,-0.1 -3,-0.0 -3,-0.0 0.759 360.0 360.0-120.7 360.0 22.6 39.7 24.1