==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 15-NOV-07 2JXD . COMPND 2 MOLECULE: SERINE PROTEASE INHIBITOR KAZAL-TYPE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.CHEN,T.-R.LEE,P.-C.LYU . 62 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 50.0 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 . 9 14.5 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 1.6 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 . 1 1.6 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 . 11 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 4.8 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 166 0, 0.0 2,-0.9 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 178.3 7.1 -13.8 6.9 2 2 A Q - 0 0 117 1,-0.2 2,-2.9 2,-0.1 0, 0.0 -0.665 360.0 -46.9 -75.8 102.7 7.7 -10.2 7.9 3 3 A F S S- 0 0 172 -2,-0.9 2,-0.3 2,-0.1 -1,-0.2 -0.171 97.8-100.0 70.6 -47.6 5.9 -9.8 11.2 4 4 A G - 0 0 22 -2,-2.9 5,-0.1 1,-0.1 -2,-0.1 -0.777 15.6-105.8 128.7-171.8 2.8 -11.6 10.0 5 5 A L S S+ 0 0 111 -2,-0.3 -1,-0.1 5,-0.1 5,-0.1 0.305 97.9 80.6-134.1 -0.6 -0.6 -10.6 8.8 6 6 A F S S+ 0 0 196 -3,-0.1 2,-1.0 1,-0.1 4,-0.1 0.640 73.6 83.5 -86.8 -15.8 -2.8 -11.5 11.7 7 7 A S S S- 0 0 59 2,-0.2 2,-2.2 1,-0.1 -1,-0.1 -0.802 129.7 -44.9 -91.4 98.8 -1.9 -8.3 13.5 8 8 A K S S- 0 0 188 -2,-1.0 2,-0.3 2,-0.1 -1,-0.1 -0.510 110.7 -66.7 77.3 -67.0 -4.4 -5.8 11.9 9 9 A Y S S- 0 0 93 -2,-2.2 2,-0.9 -5,-0.1 -2,-0.2 -0.873 76.0 -51.9 173.6-161.3 -3.7 -7.2 8.5 10 10 A R B -A 56 0A 60 46,-0.7 46,-1.0 -2,-0.3 -5,-0.1 -0.841 55.4-152.6-105.9 108.6 -0.6 -7.0 6.4 11 11 A T - 0 0 49 -2,-0.9 44,-0.2 44,-0.2 2,-0.1 -0.529 15.6-119.6 -79.3 134.0 0.6 -3.5 6.1 12 12 A P - 0 0 18 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.406 16.2-128.2 -72.9 151.6 2.7 -2.4 3.1 13 13 A N + 0 0 84 -2,-0.1 2,-1.6 2,-0.0 3,-0.0 -0.768 27.0 178.7-103.7 85.4 6.2 -1.1 3.4 14 14 A a + 0 0 35 -2,-1.0 3,-0.0 1,-0.2 -1,-0.0 -0.713 32.8 132.2 -87.0 83.3 6.2 2.1 1.5 15 15 A S S S+ 0 0 113 -2,-1.6 2,-0.2 3,-0.0 -1,-0.2 -0.106 71.8 39.3-120.3 29.4 9.8 3.0 2.3 16 16 A Q + 0 0 110 1,-0.1 3,-0.1 -3,-0.0 23,-0.1 -0.690 62.7 93.9-154.3-166.1 10.4 3.8 -1.4 17 17 A Y + 0 0 71 -2,-0.2 2,-2.1 1,-0.2 23,-0.1 0.739 53.2 164.8 70.4 33.4 8.4 5.5 -4.1 18 18 A R + 0 0 146 -3,-0.1 -1,-0.2 2,-0.1 4,-0.1 -0.505 11.7 140.3 -89.2 68.8 10.2 8.5 -3.1 19 19 A L - 0 0 73 -2,-2.1 -3,-0.0 2,-0.4 3,-0.0 -0.742 64.4-120.2-104.3 161.8 9.5 10.7 -6.1 20 20 A P S S- 0 0 145 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.619 103.1 -11.9 -71.2 -13.2 8.8 14.5 -6.2 21 21 A G S S- 0 0 33 2,-0.0 -2,-0.4 0, 0.0 19,-0.1 -0.494 95.3 -75.2-150.9-135.4 5.6 13.3 -7.8 22 22 A b - 0 0 48 -2,-0.2 2,-0.3 18,-0.1 -4,-0.0 -0.916 35.2-166.6-150.0 112.1 4.4 10.0 -9.3 23 23 A P + 0 0 51 0, 0.0 17,-0.1 0, 0.0 -4,-0.0 -0.687 53.9 7.1 -96.2 158.1 5.4 8.5 -12.6 24 24 A R S S- 0 0 194 -2,-0.3 2,-0.4 1,-0.1 -2,-0.0 0.087 73.3-106.6 63.9 175.5 3.6 5.6 -14.4 25 25 A H + 0 0 173 14,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.937 52.4 138.2-139.5 121.4 0.4 4.0 -13.4 26 26 A F - 0 0 79 -2,-0.4 12,-0.1 12,-0.1 0, 0.0 -0.929 31.0-160.4-161.4 138.7 0.5 0.5 -12.0 27 27 A N + 0 0 77 -2,-0.3 11,-0.2 1,-0.1 12,-0.1 -0.733 21.2 160.3-133.9 79.9 -1.5 -0.9 -9.1 28 28 A P + 0 0 51 0, 0.0 10,-0.2 0, 0.0 -1,-0.1 0.883 58.2 59.6 -58.2 -44.5 0.1 -4.2 -7.6 29 29 A V E S-B 37 0A 16 8,-2.0 8,-1.9 32,-0.1 2,-0.4 -0.396 73.5-126.0-103.8 168.7 -1.6 -4.3 -4.3 30 30 A c E -BC 36 58A 2 28,-2.9 27,-2.1 6,-0.3 28,-0.8 -0.888 22.5-129.9-117.2 136.2 -5.0 -4.5 -3.0 31 31 A G E > - C 0 56A 6 4,-0.6 3,-1.2 -2,-0.4 4,-0.4 -0.716 12.0-156.0 -94.8 135.6 -6.6 -2.1 -0.6 32 32 A S T 3 S+ 0 0 46 23,-1.5 -1,-0.1 -2,-0.4 24,-0.1 0.808 103.2 61.1 -69.0 -28.6 -8.5 -3.0 2.5 33 33 A D T 3 S- 0 0 61 22,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.162 129.8 -97.6 -81.9 16.6 -10.2 0.4 1.9 34 34 A M S < S+ 0 0 179 -3,-1.2 2,-0.2 1,-0.2 -2,-0.2 0.997 88.0 116.7 62.5 65.5 -11.5 -0.9 -1.4 35 35 A S - 0 0 40 -4,-0.4 2,-0.6 2,-0.0 -4,-0.6 -0.779 57.5-143.4-160.7 111.3 -8.9 0.5 -3.7 36 36 A T E +B 30 0A 75 -2,-0.2 -6,-0.3 -6,-0.2 2,-0.2 -0.779 53.2 125.8 -78.9 118.2 -6.5 -1.6 -5.8 37 37 A Y E -B 29 0A 7 -8,-1.9 -8,-2.0 -2,-0.6 -10,-0.1 -0.686 37.2-179.7-151.0-172.3 -3.3 0.4 -5.8 38 38 A A + 0 0 4 -11,-0.2 2,-0.3 -10,-0.2 -12,-0.1 0.284 48.6 72.0 152.5 92.9 0.5 0.7 -5.1 39 39 A N S >>S- 0 0 9 -12,-0.1 5,-2.6 -23,-0.1 4,-1.3 -0.932 88.8 -69.7 174.0-178.1 2.6 3.9 -5.5 40 40 A E T 45S+ 0 0 24 -2,-0.3 -18,-0.1 1,-0.2 7,-0.0 0.698 130.6 34.9 -66.2 -18.5 3.4 7.3 -4.1 41 41 A b T 45S+ 0 0 71 3,-0.2 -1,-0.2 4,-0.1 -19,-0.1 0.580 123.6 42.2-115.6 -15.7 -0.0 8.6 -5.1 42 42 A T T >5S+ 0 0 27 3,-0.1 4,-1.3 -3,-0.0 -2,-0.2 0.856 135.4 1.2 -93.1 -64.1 -2.0 5.6 -4.6 43 43 A L H X5S+ 0 0 8 -4,-1.3 4,-4.3 2,-0.2 5,-0.3 0.966 131.0 50.1 -89.3 -51.3 -0.7 4.2 -1.3 44 44 A a H >>S+ 0 0 100 -6,-0.5 5,-1.7 2,-0.2 4,-1.7 0.974 122.5 38.9 -67.6 -54.4 -0.5 9.3 -0.6 46 46 A K H <>S+ 0 0 68 -4,-1.3 5,-3.1 4,-0.3 6,-0.6 0.847 114.0 55.7 -59.3 -41.8 -3.2 7.3 1.1 47 47 A I H <5S+ 0 0 26 -4,-4.3 -1,-0.2 1,-0.2 -3,-0.2 0.815 104.3 48.6 -74.2 -33.7 -1.0 5.8 3.6 48 48 A R H <5S- 0 0 118 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.907 147.9 -51.4 -74.4 -38.7 0.4 8.9 5.1 49 49 A E T <5S+ 0 0 134 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.242 107.2 111.2-179.4 21.0 -3.2 10.3 5.4 50 50 A G T