==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 06-SEP-01 1JXC . COMPND 2 MOLECULE: PUTATIVE TRYPSIN INHIBITOR ATTI-2; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR Q.ZHAO,Y.K.CHAE,J.L.MARKLEY,CENTER FOR EUKARYOTIC . 68 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 39.7 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 . 7 10.3 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 . 1 1.5 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 . 5 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 11.8 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 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 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 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 . 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 C 0 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.2 2.1 0.0 -1.2 2 2 A P - 0 0 119 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.071 360.0-115.2 -75.0-169.3 2.3 -2.8 -3.8 3 3 A E - 0 0 157 2,-0.1 2,-3.9 0, 0.0 0, 0.0 -0.807 12.1-159.2-137.8 93.6 4.9 -5.5 -4.1 4 4 A I - 0 0 164 -2,-0.3 2,-0.7 1,-0.0 0, 0.0 -0.297 24.4-176.3 -69.1 60.9 7.2 -5.4 -7.1 5 5 A E + 0 0 179 -2,-3.9 2,-0.4 3,-0.0 3,-0.1 -0.516 9.0 167.5 -67.0 107.5 8.0 -9.1 -6.5 6 6 A A - 0 0 71 -2,-0.7 -2,-0.0 1,-0.3 -1,-0.0 -0.993 51.5 -2.8-129.3 127.1 10.5 -9.9 -9.2 7 7 A Q - 0 0 128 -2,-0.4 -1,-0.3 2,-0.1 0, 0.0 0.834 52.5-173.3 61.0 113.1 12.6 -13.0 -9.3 8 8 A G S S+ 0 0 65 -3,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.641 85.3 0.0-106.5 -24.4 12.1 -15.3 -6.3 9 9 A N S S+ 0 0 169 3,-0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.184 105.7 95.2-162.1 52.7 14.9 -17.8 -7.1 10 10 A E - 0 0 128 2,-0.1 3,-0.1 0, 0.0 -3,-0.1 0.782 47.4-169.5-108.6 -67.9 16.6 -16.7 -10.3 11 11 A a + 0 0 53 1,-0.3 53,-0.4 52,-0.1 52,-0.4 0.785 51.1 120.0 75.2 28.7 19.7 -14.6 -9.5 12 12 A L - 0 0 50 51,-0.1 2,-0.3 50,-0.1 -1,-0.3 -0.971 47.4-157.9-128.4 142.4 19.9 -13.7 -13.2 13 13 A K - 0 0 131 -2,-0.4 47,-1.6 -3,-0.1 2,-0.3 -0.864 14.8-127.2-118.9 153.0 19.7 -10.3 -14.8 14 14 A E B +A 59 0A 126 -2,-0.3 45,-0.2 45,-0.3 2,-0.2 -0.739 37.3 146.7-100.4 148.0 18.8 -9.3 -18.4 15 15 A Y + 0 0 137 43,-2.2 43,-0.3 -2,-0.3 2,-0.1 -0.641 35.5 48.8 178.6 119.5 21.0 -7.2 -20.6 16 16 A G - 0 0 25 -2,-0.2 -1,-0.2 41,-0.2 38,-0.0 -0.235 40.2-152.3 122.6 149.1 21.6 -7.2 -24.4 17 17 A G S S+ 0 0 37 40,-0.2 40,-0.1 -2,-0.1 -1,-0.1 0.162 96.3 38.9-136.0 13.2 19.5 -7.2 -27.6 18 18 A D S S+ 0 0 94 36,-0.1 39,-0.1 2,-0.1 36,-0.1 0.007 95.1 79.8-153.1 28.9 22.0 -8.8 -29.9 19 19 A V + 0 0 1 37,-0.2 30,-0.2 14,-0.1 40,-0.1 -0.224 61.3 126.7-133.7 41.8 23.6 -11.5 -27.8 20 20 A G S >> S- 0 0 4 36,-0.2 3,-1.4 28,-0.1 4,-1.1 0.513 86.4 -41.6 -72.7-138.5 20.9 -14.1 -27.9 21 21 A F T 34 S+ 0 0 69 29,-2.9 31,-0.1 1,-0.3 30,-0.1 0.854 123.9 82.0 -61.2 -36.9 21.6 -17.7 -28.9 22 22 A G T 34 S+ 0 0 34 28,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.775 101.8 38.3 -37.8 -33.5 23.8 -16.5 -31.7 23 23 A F T <4 S+ 0 0 43 -3,-1.4 8,-0.3 6,-0.1 -1,-0.3 0.905 117.5 51.7 -85.6 -49.3 26.4 -16.3 -28.9 24 24 A b < + 0 0 46 -4,-1.1 4,-0.4 25,-0.2 3,-0.2 0.236 66.6 100.3 -69.3-159.9 25.5 -19.4 -26.9 25 25 A A S > S- 0 0 17 1,-0.1 2,-2.8 2,-0.1 3,-0.9 0.652 78.4-106.0 81.2 120.6 25.1 -22.8 -28.5 26 26 A P T 3 S+ 0 0 150 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.360 107.5 69.6 -75.0 62.0 27.9 -25.4 -28.2 27 27 A R T 3 S+ 0 0 208 -2,-2.8 2,-0.3 1,-0.6 -2,-0.1 0.475 98.4 26.3-140.4 -48.4 28.9 -24.9 -31.8 28 28 A I < - 0 0 102 -3,-0.9 -1,-0.6 -4,-0.4 3,-0.1 -0.887 54.3-154.3-125.2 156.0 30.4 -21.5 -32.3 29 29 A F + 0 0 178 -2,-0.3 -6,-0.1 1,-0.1 -5,-0.1 -0.598 31.2 151.5-131.1 71.0 32.3 -19.2 -29.9 30 30 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.570 46.4-143.2 -75.0 -9.5 31.8 -15.6 -31.2 31 31 A T > + 0 0 51 -8,-0.3 4,-1.0 -3,-0.1 5,-0.1 0.906 50.1 144.9 44.9 52.6 32.2 -14.5 -27.6 32 32 A I H > + 0 0 59 2,-0.2 4,-3.1 1,-0.2 3,-0.4 0.923 67.6 50.7 -82.3 -51.3 29.6 -11.8 -28.2 33 33 A c H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.720 106.9 62.5 -58.6 -19.8 28.0 -11.9 -24.7 34 34 A Y H > S+ 0 0 170 2,-0.2 4,-0.9 3,-0.2 -1,-0.2 0.937 110.5 33.1 -70.8 -49.6 31.6 -11.6 -23.6 35 35 A T H X S+ 0 0 76 -4,-1.0 4,-0.8 -3,-0.4 -2,-0.2 0.824 124.7 46.6 -75.3 -33.7 32.2 -8.2 -25.2 36 36 A R H >X S+ 0 0 112 -4,-3.1 3,-0.8 2,-0.2 4,-0.6 0.916 113.7 45.9 -73.4 -46.0 28.6 -7.1 -24.6 37 37 A d H >X S+ 0 0 16 -4,-2.5 4,-0.9 -5,-0.3 3,-0.5 0.762 101.6 71.2 -67.1 -24.9 28.5 -8.3 -21.0 38 38 A R H >< S+ 0 0 149 -4,-0.9 3,-0.9 1,-0.3 -1,-0.2 0.880 88.3 61.2 -57.6 -40.6 31.9 -6.6 -20.7 39 39 A E H << S+ 0 0 152 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.877 104.7 47.6 -53.6 -41.2 30.1 -3.3 -20.9 40 40 A N H << S- 0 0 43 -4,-0.6 2,-0.9 -3,-0.5 -1,-0.3 0.692 89.2-176.9 -73.1 -19.3 28.2 -4.2 -17.7 41 41 A K << + 0 0 131 -3,-0.9 -1,-0.2 -4,-0.9 2,-0.1 -0.428 57.3 80.9 60.7-100.3 31.5 -5.2 -16.3 42 42 A G + 0 0 30 -2,-0.9 20,-0.2 -3,-0.2 2,-0.2 -0.103 69.6 109.3 -39.7 96.2 30.4 -6.5 -12.9 43 43 A A - 0 0 29 -2,-0.1 19,-0.2 19,-0.1 3,-0.1 -0.657 41.0-177.0-179.3 118.2 29.3 -10.0 -14.1 44 44 A K S S- 0 0 93 17,-0.4 18,-0.2 -2,-0.2 2,-0.1 0.947 73.1 -26.5 -83.6 -60.1 30.8 -13.4 -13.5 45 45 A G E +B 61 0A 27 16,-1.1 16,-0.6 20,-0.2 2,-0.3 -0.338 61.3 170.2-131.2-148.1 28.4 -15.5 -15.6 46 46 A G E -B 60 0A 36 14,-0.3 2,-0.3 -2,-0.1 14,-0.3 -0.977 31.0 -80.9 160.3-164.7 24.9 -15.5 -16.9 47 47 A R E -B 59 0A 177 12,-0.8 12,-2.4 -34,-0.3 2,-0.4 -0.835 24.0-133.4-130.2 167.5 22.5 -17.2 -19.3 48 48 A b E -B 58 0A 45 -2,-0.3 2,-0.2 10,-0.2 10,-0.1 -0.992 16.9-147.5-127.4 129.6 21.6 -17.2 -23.0 49 49 A R - 0 0 96 8,-0.7 -28,-0.3 -2,-0.4 -25,-0.2 -0.606 25.1-110.6 -94.2 155.5 18.1 -17.0 -24.4 50 50 A W S S+ 0 0 183 -2,-0.2 -29,-2.9 -30,-0.2 -28,-0.3 0.908 79.0 104.9 -43.8 -95.1 17.0 -18.6 -27.6 51 51 A G - 0 0 16 -31,-0.2 6,-0.1 -30,-0.1 -33,-0.0 0.151 54.0-155.2 39.7-163.4 16.4 -15.6 -29.8 52 52 A Q + 0 0 132 -31,-0.1 -1,-0.1 4,-0.1 -2,-0.1 0.045 68.9 6.7 153.7 88.5 18.9 -14.9 -32.5 53 53 A G S S- 0 0 48 3,-0.1 -36,-0.1 1,-0.0 -2,-0.0 -0.359 139.4 -24.8 122.7 -50.6 19.5 -11.4 -34.0 54 54 A S S S+ 0 0 90 -36,-0.1 -36,-0.1 -38,-0.0 -3,-0.1 0.160 107.6 100.2 173.7 39.4 17.3 -9.3 -31.8 55 55 A N S S+ 0 0 141 -6,-0.1 2,-0.1 -5,-0.1 -4,-0.1 0.855 87.2 16.9 -99.4 -57.9 14.6 -11.5 -30.3 56 56 A V S S- 0 0 11 -7,-0.2 2,-0.3 -6,-0.1 -37,-0.2 -0.265 77.3-119.7-103.2-168.3 15.8 -12.4 -26.8 57 57 A K - 0 0 69 -38,-0.1 -8,-0.7 -2,-0.1 2,-0.4 -0.915 22.3-105.3-135.3 160.6 18.4 -10.8 -24.6 58 58 A c E - B 0 48A 2 -2,-0.3 -43,-2.2 -43,-0.3 2,-0.4 -0.714 30.9-141.0 -89.2 135.9 21.7 -11.9 -22.9 59 59 A L E +AB 14 47A 33 -12,-2.4 -12,-0.8 -2,-0.4 2,-0.3 -0.834 24.2 171.5-100.4 133.4 21.5 -12.6 -19.2 60 60 A d E + B 0 46A 18 -47,-1.6 2,-0.4 -2,-0.4 -14,-0.3 -0.909 4.0 165.2-145.4 111.6 24.4 -11.6 -17.0 61 61 A D E - B 0 45A 16 -16,-0.6 -16,-1.1 -2,-0.3 -17,-0.4 -0.977 46.2-124.1-130.2 142.3 24.3 -11.7 -13.2 62 62 A F S S+ 0 0 122 -2,-0.4 3,-0.2 1,-0.2 -19,-0.1 0.676 105.5 75.7 -54.7 -17.1 27.1 -11.5 -10.7 63 63 A a + 0 0 58 -52,-0.4 -1,-0.2 1,-0.2 -51,-0.1 0.992 61.4 97.2 -57.2 -77.0 25.6 -14.8 -9.5 64 64 A G S S- 0 0 44 -53,-0.4 2,-0.2 -3,-0.2 -1,-0.2 0.114 99.5 -49.8 26.0 -94.3 26.9 -17.1 -12.2 65 65 A D S S- 0 0 115 -3,-0.2 -20,-0.2 0, 0.0 -21,-0.1 -0.660 87.7 -34.8-144.3-161.7 29.9 -18.3 -10.3 66 66 A T - 0 0 100 -2,-0.2 2,-2.8 1,-0.1 -3,-0.1 -0.589 49.5-143.4 -72.9 113.7 32.9 -17.1 -8.3 67 67 A P 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.325 360.0 360.0 -75.1 58.8 34.0 -13.8 -9.8 68 68 A Q 0 0 235 -2,-2.8 -2,-0.1 -24,-0.0 -24,-0.0 -0.026 360.0 360.0 46.1 360.0 37.6 -14.6 -9.1