==== 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 2K2X . COMPND 2 MOLECULE: CARBOXYPEPTIDASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIPICEPHALUS BURSA; . AUTHOR D.PANTOJA-UCEDA,F.BLANCO . 75 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 44.0 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 10.7 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 . 7 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 146 0, 0.0 4,-0.4 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 113.3 11.5 38.6 33.7 2 2 A E > + 0 0 82 23,-1.8 4,-1.9 2,-0.1 5,-0.2 0.808 360.0 56.6-100.4 -45.2 12.7 35.2 32.3 3 3 A a H >>S+ 0 0 2 22,-1.6 5,-2.4 1,-0.2 4,-1.5 0.762 107.4 52.3 -65.2 -26.2 16.0 36.2 30.6 4 4 A V H 45S+ 0 0 104 3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.939 110.0 47.9 -65.0 -52.8 17.2 37.6 34.0 5 5 A S H 45S+ 0 0 97 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.771 117.5 41.7 -63.3 -30.8 16.3 34.3 35.8 6 6 A K H <5S- 0 0 93 -4,-1.9 -1,-0.2 2,-0.0 -2,-0.2 0.769 116.1-115.2 -86.7 -31.2 18.1 32.2 33.1 7 7 A G T <5 + 0 0 40 -4,-1.5 -3,-0.2 -5,-0.2 2,-0.2 0.911 65.2 124.7 94.3 58.9 21.1 34.6 32.8 8 8 A F < - 0 0 42 -5,-2.4 -1,-0.2 26,-0.1 25,-0.2 -0.677 52.8 -98.9-127.4-178.8 21.2 36.2 29.3 9 9 A G B -A 32 0A 12 23,-1.9 23,-1.3 -2,-0.2 18,-0.1 -0.370 9.9-136.9 -97.9 178.8 21.3 39.7 27.8 10 10 A b + 0 0 56 21,-0.2 20,-0.3 -2,-0.1 18,-0.3 -0.136 43.2 156.6-128.4 30.3 18.7 42.1 26.3 11 11 A L - 0 0 66 21,-0.1 19,-0.4 1,-0.1 18,-0.1 -0.261 45.6-101.3 -58.6 148.1 20.7 43.4 23.2 12 12 A P >> - 0 0 43 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.191 26.9-106.7 -71.9 164.1 18.6 44.8 20.3 13 13 A Q T 34 S+ 0 0 105 1,-0.2 8,-0.1 2,-0.2 -2,-0.1 0.746 119.9 55.5 -60.1 -29.6 17.8 42.9 17.0 14 14 A S T 34 S+ 0 0 120 1,-0.1 -1,-0.2 4,-0.0 4,-0.1 0.819 113.0 40.2 -72.7 -35.2 20.3 45.2 15.2 15 15 A D T <4 S+ 0 0 116 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.978 112.9 50.2 -81.2 -65.6 23.2 44.3 17.5 16 16 A c S < S- 0 0 9 -4,-1.9 5,-0.0 1,-0.1 16,-0.0 -0.379 94.8-103.3 -70.5 154.3 22.8 40.6 18.1 17 17 A P - 0 0 55 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 -0.133 29.4-104.1 -75.2 173.4 22.4 38.2 15.1 18 18 A Q S S+ 0 0 165 1,-0.2 3,-0.1 2,-0.2 -2,-0.0 0.655 117.7 51.7 -73.4 -18.6 19.1 36.6 14.0 19 19 A E S S+ 0 0 177 1,-0.2 -1,-0.2 13,-0.0 -3,-0.0 0.796 99.4 59.6 -90.7 -36.5 20.0 33.1 15.4 20 20 A A S S+ 0 0 4 -3,-0.1 13,-1.6 12,-0.1 2,-0.8 0.515 76.2 117.9 -70.4 -9.7 20.9 34.2 19.0 21 21 A R B -B 32 0A 81 -4,-0.3 11,-0.2 11,-0.2 2,-0.0 -0.528 54.5-155.6 -69.1 101.5 17.3 35.6 19.5 22 22 A L - 0 0 42 9,-1.6 9,-0.5 -2,-0.8 -2,-0.0 -0.279 18.8-128.8 -72.2 164.0 15.8 33.6 22.3 23 23 A S S S+ 0 0 131 7,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.525 74.2 105.8 -94.4 -11.3 12.0 33.1 22.8 24 24 A Y - 0 0 104 1,-0.1 7,-0.4 -22,-0.0 2,-0.2 -0.079 58.2-137.8 -64.9 168.6 11.9 34.2 26.5 25 25 A G + 0 0 41 1,-0.1 -23,-1.8 5,-0.1 -22,-1.6 -0.552 62.2 80.2-123.9-178.6 10.6 37.6 27.7 26 26 A G + 0 0 51 1,-0.3 -1,-0.1 -25,-0.2 -16,-0.1 0.066 69.7 111.5 102.9 -16.5 11.1 40.6 30.1 27 27 A b S S- 0 0 31 -3,-0.1 -1,-0.3 -18,-0.1 4,-0.1 -0.009 75.4-116.5 -73.1-178.6 13.8 42.5 28.0 28 28 A S S S- 0 0 123 -18,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.612 100.7 -8.4 -94.7 -18.0 13.3 45.8 26.2 29 29 A T S S- 0 0 78 -19,-0.2 2,-0.3 1,-0.2 -18,-0.1 0.411 123.5 -26.6-142.1 -73.0 13.8 44.5 22.6 30 30 A V - 0 0 24 -19,-0.4 2,-0.3 -20,-0.3 -2,-0.2 -0.975 57.3-110.8-156.5 148.6 14.9 40.8 22.4 31 31 A a - 0 0 2 -9,-0.5 -9,-1.6 -7,-0.4 2,-0.4 -0.664 29.4-159.8 -84.6 145.7 16.9 38.3 24.5 32 32 A c B -AB 9 21A 0 -23,-1.3 -23,-1.9 -2,-0.3 2,-1.4 -0.993 20.5-126.2-134.5 120.9 20.3 37.2 23.3 33 33 A D > + 0 0 25 -13,-1.6 3,-1.7 -2,-0.4 4,-0.4 -0.509 28.1 177.6 -70.3 88.4 22.2 34.1 24.4 34 34 A L T 3> S+ 0 0 70 -2,-1.4 4,-0.8 1,-0.3 3,-0.3 0.720 77.4 66.4 -66.1 -22.1 25.6 35.5 25.5 35 35 A S T 34 S+ 0 0 10 1,-0.2 -1,-0.3 2,-0.1 8,-0.2 0.661 113.9 30.2 -65.7 -22.1 26.7 32.0 26.6 36 36 A K T <4 S+ 0 0 120 -3,-1.7 -2,-0.2 6,-0.1 -1,-0.2 0.232 104.9 75.5-127.4 4.8 26.6 31.0 22.8 37 37 A L T 4 S+ 0 0 76 -4,-0.4 -2,-0.1 -3,-0.3 -3,-0.1 0.834 110.7 17.0 -85.5 -41.9 27.5 34.3 21.1 38 38 A T S < S- 0 0 85 -4,-0.8 2,-0.3 1,-0.2 -3,-0.1 0.886 93.3-127.2 -98.6 -80.6 31.3 34.3 21.9 39 39 A G S > S+ 0 0 23 -5,-0.3 3,-1.1 -4,-0.1 4,-0.4 -0.850 74.8 6.2 162.7-127.3 32.7 30.9 23.0 40 40 A d G >> S+ 0 0 0 1,-0.3 4,-1.9 -2,-0.3 3,-0.8 0.876 129.8 53.1 -57.9 -42.1 34.8 29.7 26.0 41 41 A K G 34 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.2 4,-0.0 0.697 87.6 84.8 -62.4 -24.6 34.4 33.2 27.7 42 42 A G G <4 S+ 0 0 19 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.786 117.6 4.6 -56.7 -35.5 30.5 33.0 27.3 43 43 A K T <4 S- 0 0 91 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.522 120.6 -91.1-121.4 -20.4 30.2 31.0 30.5 44 44 A G < - 0 0 49 -4,-1.9 -4,-0.1 -5,-0.2 -3,-0.1 -0.205 55.4-137.5 141.8 -38.7 33.9 31.2 31.6 45 45 A G - 0 0 36 28,-0.1 2,-0.3 -6,-0.1 27,-0.2 0.077 6.4-118.6 83.6 170.6 35.6 28.1 30.1 46 46 A E E -C 71 0B 106 25,-1.0 25,-1.9 2,-0.0 2,-0.5 -0.959 3.0-145.8-153.6 129.1 38.1 25.5 31.3 47 47 A e E +C 70 0B 49 -2,-0.3 23,-0.2 23,-0.2 21,-0.1 -0.860 27.1 172.4 -88.0 128.7 41.6 24.3 30.3 48 48 A N E -C 69 0B 42 21,-1.1 21,-0.7 -2,-0.5 6,-0.1 -0.914 37.8 -81.5-131.3 159.2 42.1 20.5 30.9 49 49 A P > - 0 0 47 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.049 32.3-113.5 -64.1 160.3 45.1 18.4 29.8 50 50 A L T 3 S+ 0 0 104 1,-0.3 4,-0.1 3,-0.1 16,-0.0 0.694 116.7 65.8 -62.3 -20.6 45.8 16.9 26.3 51 51 A D T 3 S+ 0 0 156 1,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.738 89.9 74.6 -69.9 -28.3 45.3 13.5 28.1 52 52 A R S < S- 0 0 164 -3,-1.4 2,-0.5 17,-0.0 -4,-0.1 -0.833 80.4-140.6 -99.4 111.6 41.6 14.3 28.8 53 53 A Q + 0 0 200 -2,-0.7 -3,-0.1 1,-0.2 -2,-0.1 -0.614 55.5 117.0 -74.0 116.3 39.4 14.1 25.7 54 54 A f - 0 0 67 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.276 68.8 -38.7-144.6 -91.5 36.9 17.0 25.9 55 55 A K - 0 0 81 14,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.970 42.0-138.4-154.1 158.2 36.8 19.9 23.3 56 56 A E + 0 0 145 -2,-0.3 2,-0.3 13,-0.2 13,-0.1 -0.986 24.2 162.0-131.7 133.1 39.2 22.0 21.2 57 57 A L >> - 0 0 44 -2,-0.4 4,-1.0 11,-0.3 3,-1.0 -0.822 24.2-160.6-159.2 103.6 39.1 25.8 20.6 58 58 A Q T 34 S+ 0 0 174 -2,-0.3 4,-0.2 1,-0.2 11,-0.0 0.451 77.2 86.5 -66.3 -6.7 42.1 27.9 19.3 59 59 A A T 34 S- 0 0 73 2,-0.1 -1,-0.2 3,-0.1 -20,-0.0 0.814 115.3 -10.9 -66.7 -35.0 40.4 31.2 20.5 60 60 A E T X4 S+ 0 0 90 -3,-1.0 3,-1.0 8,-0.1 -2,-0.1 0.599 129.1 60.6-137.2 -49.4 41.7 31.1 24.2 61 61 A S G >< S+ 0 0 2 -4,-1.0 3,-2.1 1,-0.2 4,-0.3 0.577 77.4 95.1 -67.8 -10.2 43.3 27.7 25.0 62 62 A A G 3 S+ 0 0 68 1,-0.3 -1,-0.2 -5,-0.3 3,-0.1 0.694 96.5 32.8 -58.4 -20.6 45.9 28.1 22.3 63 63 A S G < S+ 0 0 116 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.1 -0.145 84.1 109.5-125.1 34.6 48.4 29.6 24.9 64 64 A e < - 0 0 52 -3,-2.1 2,-0.8 1,-0.2 -2,-0.1 0.605 58.1-164.2 -79.4 -13.8 47.2 27.5 28.0 65 65 A G S > S+ 0 0 59 -4,-0.3 2,-1.2 -3,-0.1 3,-0.7 -0.570 74.4 44.3 67.2-103.2 50.5 25.5 27.9 66 66 A K T 3 S+ 0 0 196 -2,-0.8 -19,-0.0 1,-0.2 -1,-0.0 -0.615 135.2 7.4 -70.3 93.7 49.6 22.5 30.1 67 67 A G T 3 - 0 0 2 -2,-1.2 2,-1.0 1,-0.1 -1,-0.2 0.910 67.4-176.5 94.9 60.2 46.1 21.7 28.7 68 68 A Q < + 0 0 87 -3,-0.7 2,-0.5 -21,-0.1 -11,-0.3 -0.155 49.8 112.7 -75.1 36.4 45.5 23.9 25.6 69 69 A K E -C 48 0B 47 -2,-1.0 -21,-1.1 -21,-0.7 2,-0.4 -0.907 55.3-155.1-119.8 99.5 42.0 22.5 25.3 70 70 A d E -C 47 0B 6 -2,-0.5 2,-0.4 -13,-0.3 -23,-0.2 -0.625 15.0-177.4 -73.3 125.7 39.2 25.0 26.0 71 71 A f E +C 46 0B 6 -25,-1.9 -25,-1.0 -2,-0.4 2,-0.3 -0.988 8.5 161.0-127.5 135.7 35.9 23.4 27.1 72 72 A V - 0 0 28 -2,-0.4 2,-0.2 -27,-0.2 -32,-0.1 -0.979 8.6-179.5-150.9 150.5 32.6 25.2 27.9 73 73 A W - 0 0 178 -2,-0.3 -28,-0.1 -33,-0.1 -2,-0.0 -0.693 48.7 -86.0-135.5-176.9 28.8 24.2 28.2 74 74 A L 0 0 97 -2,-0.2 -39,-0.0 1,-0.2 -1,-0.0 0.915 360.0 360.0 -62.7 -45.8 25.4 25.8 28.9 75 75 A H 0 0 206 -3,-0.0 -1,-0.2 -40,-0.0 -40,-0.0 0.783 360.0 360.0 -73.8 360.0 26.0 25.4 32.7