==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 23-SEP-11 2LJS . COMPND 2 MOLECULE: TRYPSIN INHIBITOR 3; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA COCHINCHINENSIS; . AUTHOR N.L.DALY,D.J.CRAIK . 30 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2471.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 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 . 4 13.3 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 . 1 3.3 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 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 3.3 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 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 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 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 X 0 0 183 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 33.5 3.7 7.8 8.0 2 2 A R - 0 0 153 18,-0.3 20,-0.2 1,-0.1 2,-0.1 -0.457 360.0 -90.9 -80.7 154.2 6.1 4.9 7.2 3 3 A A + 0 0 81 -2,-0.1 17,-0.7 18,-0.1 -1,-0.1 -0.405 56.5 163.5 -65.4 135.7 8.5 5.0 4.2 4 4 A a - 0 0 20 -2,-0.1 2,-0.3 15,-0.1 15,-0.1 -0.917 39.2-120.6-159.9 131.1 6.9 3.6 1.1 5 5 A P - 0 0 89 0, 0.0 2,-0.5 0, 0.0 16,-0.0 -0.523 39.8-114.4 -71.7 130.1 7.6 3.6 -2.6 6 6 A R + 0 0 169 -2,-0.3 2,-0.3 2,-0.1 24,-0.1 -0.558 54.1 149.0 -72.3 118.9 4.7 5.1 -4.5 7 7 A I - 0 0 99 22,-0.8 2,-1.3 -2,-0.5 22,-0.1 -0.984 52.2-116.5-148.5 152.0 3.1 2.4 -6.7 8 8 A L + 0 0 148 -2,-0.3 2,-0.5 20,-0.1 22,-0.1 -0.593 58.8 139.0 -93.4 75.6 -0.3 1.6 -8.0 9 9 A K - 0 0 65 -2,-1.3 20,-2.4 20,-0.3 2,-0.2 -0.976 53.5-123.3-122.4 122.9 -1.0 -1.7 -6.4 10 10 A K B -A 28 0A 119 -2,-0.5 2,-0.4 18,-0.2 18,-0.3 -0.457 29.5-147.0 -65.8 126.2 -4.4 -2.6 -4.9 11 11 A b - 0 0 9 16,-1.4 3,-0.1 -2,-0.2 -1,-0.1 -0.789 24.9-172.2-100.7 139.9 -4.0 -3.5 -1.3 12 12 A R S S- 0 0 185 1,-0.5 2,-0.2 -2,-0.4 -1,-0.1 0.311 83.1 -21.4-104.1 1.4 -6.1 -6.1 0.5 13 13 A R S >> S- 0 0 173 1,-0.1 3,-1.3 14,-0.0 4,-0.5 -0.839 76.5 -87.7 166.0 164.4 -4.4 -5.0 3.8 14 14 A D G >4 S+ 0 0 90 1,-0.3 3,-1.6 -2,-0.2 7,-0.1 0.884 126.7 57.9 -59.0 -39.1 -1.3 -3.2 4.9 15 15 A S G 34 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.697 98.3 61.4 -64.2 -19.3 0.5 -6.6 5.0 16 16 A D G <4 S+ 0 0 28 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.660 92.6 84.3 -79.8 -18.0 -0.4 -6.9 1.3 17 17 A c S << S- 0 0 9 -3,-1.6 2,-0.1 -4,-0.5 6,-0.1 -0.636 88.8-108.0 -88.8 143.2 1.7 -3.8 0.7 18 18 A P S > S- 0 0 65 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.382 77.3 -21.8 -71.1 145.8 5.5 -4.0 0.2 19 19 A G T 3 S- 0 0 78 1,-0.3 -15,-0.1 -4,-0.1 -2,-0.1 -0.323 130.7 -22.5 58.4-130.2 7.9 -2.8 2.9 20 20 A E T 3 S+ 0 0 94 -17,-0.7 -1,-0.3 2,-0.0 -18,-0.3 0.031 97.4 140.2-101.2 26.1 6.2 -0.4 5.2 21 21 A a < - 0 0 3 -3,-2.1 2,-0.3 -7,-0.1 -4,-0.3 -0.410 39.6-147.5 -69.3 144.2 3.6 0.6 2.7 22 22 A I - 0 0 69 8,-3.5 8,-2.9 -20,-0.2 2,-0.9 -0.800 23.0-100.8-114.4 156.1 0.0 1.1 4.0 23 23 A b B -B 29 0B 42 -2,-0.3 6,-0.2 6,-0.2 -9,-0.1 -0.652 42.1-144.6 -79.0 105.7 -3.3 0.4 2.5 24 24 A K > - 0 0 101 4,-3.0 3,-2.5 -2,-0.9 4,-0.2 -0.261 24.4-106.7 -67.3 156.3 -4.6 3.8 1.3 25 25 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.792 120.6 60.2 -53.7 -32.3 -8.3 4.7 1.4 26 26 A N T 3 S- 0 0 93 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.563 123.7-105.7 -74.9 -6.0 -8.5 4.3 -2.3 27 27 A G S < S+ 0 0 11 -3,-2.5 -16,-1.4 1,-0.3 2,-0.3 0.767 83.2 114.9 87.2 29.6 -7.4 0.7 -1.9 28 28 A Y B S-A 10 0A 75 -18,-0.3 -4,-3.0 -4,-0.2 2,-0.3 -0.902 73.4 -95.4-128.3 156.5 -3.9 1.1 -3.2 29 29 A c B B 23 0B 4 -20,-2.4 -22,-0.8 -2,-0.3 -20,-0.3 -0.552 360.0 360.0 -74.0 127.1 -0.5 0.8 -1.5 30 30 A G 0 0 13 -8,-2.9 -8,-3.5 -2,-0.3 -24,-0.0 -0.815 360.0 360.0-158.3 360.0 0.9 4.1 -0.3