==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 15-MAR-07 2P5H . COMPND 2 MOLECULE: PIP9; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.M.THWIN,D.S.SATYANARAYANAJOIS,L.M.NAGARAJARAO,K.SATO, . 9 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 33.3 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 . 0 0.0 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 . 2 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 11.1 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 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 V 0 0 177 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.5 2.1 -0.0 -1.2 2 2 A D + 0 0 129 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.873 360.0 165.1-105.1 106.8 3.8 -3.0 -2.9 3 3 A I + 0 0 160 -2,-0.7 2,-0.4 2,-0.1 -1,-0.1 -0.057 55.9 82.2-108.3 30.6 7.6 -2.5 -3.2 4 4 A H - 0 0 140 3,-0.0 3,-0.1 0, 0.0 -1,-0.0 -0.968 67.9-142.6-140.4 121.4 8.3 -6.1 -3.9 5 5 A V - 0 0 111 -2,-0.4 2,-0.8 1,-0.2 -2,-0.1 0.116 51.3 -59.2 -66.1-172.5 8.1 -7.9 -7.3 6 6 A W > - 0 0 195 1,-0.1 3,-1.7 3,-0.1 -1,-0.2 -0.640 58.7-123.9 -77.7 110.3 6.9 -11.4 -7.8 7 7 A D T 3 S+ 0 0 150 -2,-0.8 -1,-0.1 1,-0.3 -3,-0.0 -0.298 96.3 16.2 -55.3 127.2 9.2 -13.7 -5.8 8 8 A G T 3 0 0 79 1,-0.3 -1,-0.3 -2,-0.0 -2,-0.0 0.705 360.0 360.0 80.7 20.3 10.7 -16.3 -8.1 9 9 A V < 0 0 148 -3,-1.7 -1,-0.3 0, 0.0 -3,-0.1 -0.991 360.0 360.0-135.5 360.0 9.7 -14.4 -11.2