==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 12-DEC-97 1A1P . COMPND 2 MOLECULE: COMPSTATIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.MORIKIS,N.ASSA-MUNT,A.SAHU,J.D.LAMBRIS . 13 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 0 0.0 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 . 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 . 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+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 I 0 0 212 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.4 -5.8 5.5 -0.1 2 2 A a + 0 0 51 1,-0.1 10,-0.1 8,-0.0 8,-0.1 -0.701 360.0 138.4-170.6 113.0 -2.8 3.3 0.5 3 3 A V + 0 0 111 -2,-0.2 -1,-0.1 6,-0.1 6,-0.0 0.245 36.5 126.4-141.7 9.8 0.6 3.2 -1.4 4 4 A V + 0 0 90 1,-0.1 4,-0.1 2,-0.1 -2,-0.0 -0.194 63.2 30.9 -67.2 164.8 3.1 2.8 1.4 5 5 A Q - 0 0 82 1,-0.1 -1,-0.1 2,-0.1 5,-0.1 0.910 65.8-164.3 47.9 95.8 5.6 -0.0 1.3 6 6 A D S S+ 0 0 135 1,-0.2 3,-0.4 3,-0.1 -1,-0.1 0.889 88.6 44.2 -76.8 -40.9 6.2 -0.6 -2.4 7 7 A W S S+ 0 0 212 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.668 123.4 39.2 -78.7 -14.9 7.8 -4.0 -2.0 8 8 A G S S+ 0 0 18 -4,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.659 75.2 167.4-136.6 82.9 5.2 -5.1 0.5 9 9 A H - 0 0 100 -3,-0.4 -3,-0.1 -2,-0.3 -4,-0.1 -0.168 19.7-154.7 -83.1-175.8 1.7 -3.8 -0.4 10 10 A H - 0 0 107 -8,-0.1 -1,-0.1 -5,-0.1 -5,-0.0 0.510 48.0 -64.9-125.7 -82.8 -1.5 -5.1 1.3 11 11 A R + 0 0 210 -9,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.198 54.7 165.2-178.1 75.0 -4.9 -4.9 -0.6 12 12 A a 0 0 62 1,-0.2 -9,-0.0 -10,-0.1 -3,-0.0 0.635 360.0 360.0 -69.7-125.3 -6.3 -1.5 -1.5 13 13 A T 0 0 194 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.464 360.0 360.0-115.5 360.0 -9.2 -1.4 -4.1