==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 18-NOV-04 1Y1C . COMPND 2 MOLECULE: ELASTASE INHIBITOR; . SOURCE 2 SYNTHETIC: YES; . AUTHOR H.HEMMI,T.KUMAZAKI,K.YOSHIZAWA-KUMAGAYE,Y.NISHIUCHI, . 48 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 60.4 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 16.7 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 . 1 2.1 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-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 . 8 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 18.8 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 0 1 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 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 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 K 0 0 233 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.4 -7.6 8.6 -7.2 2 2 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 32,-0.0 -0.090 360.0 -63.2 -72.8 176.7 -10.5 8.3 -4.7 3 3 A D - 0 0 121 31,-0.1 28,-0.1 1,-0.1 27,-0.1 -0.474 52.7-163.7 -66.7 123.8 -10.5 6.1 -1.6 4 4 A A - 0 0 29 26,-0.6 30,-0.1 -2,-0.3 29,-0.1 -0.935 24.0-114.8-115.8 113.3 -10.2 2.4 -2.6 5 5 A P - 0 0 100 0, 0.0 2,-1.0 0, 0.0 25,-0.1 -0.038 21.2-128.9 -42.0 138.8 -11.2 -0.3 -0.0 6 6 A a S S+ 0 0 33 1,-0.2 22,-0.1 22,-0.1 3,-0.1 -0.354 79.5 103.3 -93.2 56.0 -8.2 -2.4 1.0 7 7 A I + 0 0 141 -2,-1.0 -1,-0.2 1,-0.1 3,-0.1 -0.442 29.9 127.7-132.0 57.1 -9.9 -5.7 0.4 8 8 A b S S- 0 0 76 1,-0.3 2,-0.3 17,-0.0 -1,-0.1 0.876 80.4 -54.4 -78.9 -41.2 -8.4 -6.8 -2.9 9 9 A T - 0 0 78 -3,-0.1 -1,-0.3 16,-0.0 18,-0.0 -0.936 42.8-100.2-173.6-165.9 -7.4 -10.2 -1.6 10 10 A M + 0 0 168 -2,-0.3 2,-3.1 -3,-0.1 -3,-0.0 0.092 69.7 128.8-124.1 17.6 -5.5 -12.0 1.1 11 11 A Q - 0 0 137 1,-0.1 -1,-0.0 2,-0.1 -3,-0.0 -0.321 62.8-139.6 -73.1 58.8 -2.4 -12.7 -1.0 12 12 A Y + 0 0 162 -2,-3.1 13,-0.2 1,-0.2 -1,-0.1 0.144 40.3 161.1 -25.2 84.7 -0.2 -11.2 1.7 13 13 A D - 0 0 87 11,-2.1 2,-0.6 2,-0.1 13,-0.2 -0.575 24.8-160.6-114.9 64.7 2.1 -9.3 -0.6 14 14 A P - 0 0 13 0, 0.0 2,-0.5 0, 0.0 10,-0.3 -0.273 12.1-169.7 -51.7 98.0 3.6 -6.8 1.9 15 15 A V E -A 23 0A 3 8,-3.2 8,-2.9 -2,-0.6 2,-0.5 -0.834 18.8-130.4 -99.5 127.4 4.9 -4.1 -0.4 16 16 A c E -AB 22 44A 0 28,-3.5 27,-2.8 -2,-0.5 28,-2.0 -0.629 27.1-162.6 -78.3 121.5 7.1 -1.5 1.0 17 17 A G E >> -AB 21 42A 1 4,-2.4 3,-1.8 -2,-0.5 4,-1.4 -0.881 37.5 -83.0-113.5 142.4 5.9 2.0 0.0 18 18 A S T 34 S+ 0 0 62 23,-2.9 23,-0.4 -2,-0.4 24,-0.1 -0.109 119.0 57.9 -40.1 98.0 7.7 5.3 0.1 19 19 A D T 34 S- 0 0 74 21,-0.2 -1,-0.3 22,-0.1 3,-0.1 0.034 119.7 -93.3 160.2 -22.7 7.2 6.1 3.7 20 20 A G T <4 S+ 0 0 56 -3,-1.8 2,-0.5 1,-0.3 -2,-0.2 0.711 84.1 130.5 94.2 25.1 8.7 3.0 5.4 21 21 A I E < -A 17 0A 68 -4,-1.4 -4,-2.4 -6,-0.0 2,-1.1 -0.952 52.2-144.8-118.4 124.6 5.5 1.1 5.6 22 22 A T E -A 16 0A 58 -2,-0.5 2,-0.5 -6,-0.2 -6,-0.3 -0.716 22.6-154.4 -86.4 98.2 5.1 -2.5 4.4 23 23 A Y E -A 15 0A 16 -8,-2.9 -8,-3.2 -2,-1.1 6,-0.1 -0.635 21.1-126.9 -79.5 123.8 1.6 -2.6 3.0 24 24 A G S S- 0 0 10 -2,-0.5 -11,-2.1 -10,-0.3 2,-0.3 0.735 90.8 -14.7 -37.5 -27.8 -0.0 -6.1 3.1 25 25 A N S > S- 0 0 18 -13,-0.2 4,-2.7 -10,-0.2 5,-0.2 -0.948 74.9 -94.1-174.3 155.5 -0.6 -5.4 -0.6 26 26 A A H > S+ 0 0 57 -2,-0.3 4,-1.0 1,-0.2 16,-0.1 0.739 128.8 50.5 -48.5 -23.0 -0.6 -2.7 -3.2 27 27 A b H > S+ 0 0 24 2,-0.3 4,-1.5 1,-0.2 3,-0.3 0.921 102.1 54.7 -83.6 -46.8 -4.3 -2.5 -2.5 28 28 A M H >> S+ 0 0 75 1,-0.3 4,-1.3 2,-0.2 3,-0.8 0.913 106.8 58.0 -48.6 -36.2 -3.9 -2.2 1.3 29 29 A L H >X>S+ 0 0 19 -4,-2.7 4,-2.9 1,-0.3 3,-0.9 0.932 93.2 61.7 -55.9 -50.2 -1.8 0.6 0.0 30 30 A L H 3X5S+ 0 0 62 -4,-1.0 -26,-0.6 -3,-0.3 4,-0.6 0.826 103.5 52.1 -48.3 -30.6 -4.8 2.0 -1.7 31 31 A a H