==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 23-JAN-13 2M3N . COMPND 2 MOLECULE: PEPTIDE LEUCINE ARGININE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.POLTE . 18 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 38.9 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 . 3 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 . 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 . 4 22.2 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+3), 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+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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 L 0 0 150 0, 0.0 2,-0.7 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 136.9 8.4 5.9 -1.0 2 2 A V + 0 0 129 16,-0.1 2,-0.3 2,-0.0 15,-0.1 -0.750 360.0 131.8 -89.1 115.5 8.2 4.4 -4.5 3 3 A R - 0 0 113 -2,-0.7 2,-0.7 13,-0.1 12,-0.1 -0.960 59.8 -94.0-158.4 152.5 7.9 0.7 -4.4 4 4 A G + 0 0 87 -2,-0.3 2,-0.3 10,-0.0 12,-0.0 -0.624 60.9 134.4 -80.8 113.1 5.6 -1.9 -6.1 5 5 A a - 0 0 53 -2,-0.7 10,-2.4 10,-0.1 2,-0.3 -0.963 31.0-159.5-148.4 162.5 2.7 -2.9 -4.0 6 6 A W E -A 14 0A 149 8,-0.3 2,-0.5 -2,-0.3 -2,-0.0 -0.996 17.0-127.6-150.7 140.3 -1.0 -3.3 -4.5 7 7 A T E -A 13 0A 54 6,-3.1 6,-1.4 -2,-0.3 2,-1.0 -0.801 10.5-151.8 -96.0 125.0 -4.0 -3.4 -2.2 8 8 A K + 0 0 184 -2,-0.5 2,-0.2 4,-0.2 -2,-0.0 -0.856 57.8 96.3 -94.4 103.4 -6.4 -6.3 -2.3 9 9 A S S S- 0 0 82 -2,-1.0 -2,-0.0 0, 0.0 0, 0.0 -0.799 78.3 -53.9-160.2-164.6 -9.6 -4.8 -1.3 10 10 A Y S S+ 0 0 216 1,-0.4 -2,-0.1 -2,-0.2 3,-0.0 -0.951 131.4 31.3-138.9 116.8 -12.7 -3.3 -2.9 11 11 A P S S- 0 0 104 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.468 104.6-139.8 -72.6 142.6 -12.3 -1.3 -4.8 12 12 A P + 0 0 70 0, 0.0 -4,-0.2 0, 0.0 -2,-0.1 -0.532 30.7 172.2 -70.1 133.9 -9.0 -3.0 -5.6 13 13 A K E -A 7 0A 82 -6,-1.4 -6,-3.1 -2,-0.2 3,-0.1 -0.991 36.5-115.5-150.3 131.4 -6.1 -0.5 -6.1 14 14 A P E -A 6 0A 72 0, 0.0 -8,-0.3 0, 0.0 -10,-0.0 -0.331 55.9 -92.0 -54.2 153.9 -2.3 -0.6 -6.6 15 15 A a - 0 0 29 -10,-2.4 2,-0.3 1,-0.1 -10,-0.1 0.102 36.6-105.8 -70.0 178.8 -0.6 1.2 -3.7 16 16 A F - 0 0 129 2,-0.2 -1,-0.1 -3,-0.1 -13,-0.1 -0.803 26.2-113.9-105.0 153.6 0.3 4.8 -3.3 17 17 A V 0 0 102 -2,-0.3 -13,-0.0 -15,-0.1 -2,-0.0 0.147 360.0 360.0 -77.6 24.5 3.9 6.1 -3.6 18 18 A R 0 0 214 -2,-0.1 -2,-0.2 -15,-0.1 -16,-0.1 -0.855 360.0 360.0-102.8 360.0 3.8 7.1 0.1