==== 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 ANTAGONIST 28-JUL-95 1BDK . COMPND 2 MOLECULE: BRADYKININ ANTAGONIST B-9340; . SOURCE 2 SYNTHETIC: YES . AUTHOR J.SEJBAL,G.KOTOVYCH,J.R.CANN,J.M.STEWART,L.GERA . 10 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 30.0 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 . 1 10.0 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 . 1 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 10.0 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 X 0 0 273 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-124.6 1.9 -6.2 -5.7 2 2 A R - 0 0 91 2,-0.0 5,-0.1 0, 0.0 4,-0.1 -0.445 360.0-148.3-138.1 62.4 1.5 -3.9 -2.7 3 3 A P > - 0 0 95 0, 0.0 3,-1.9 0, 0.0 2,-0.2 0.042 13.1-130.7 -32.3 104.9 4.9 -4.2 -0.8 4 4 A X T 3 S+ 0 0 128 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.536 93.7 79.8 -60.9 129.4 4.4 -3.7 3.0 5 5 A G T 3 S- 0 0 84 -2,-0.2 -1,-0.2 3,-0.2 2,-0.1 -0.240 123.2 -23.4 140.8 -42.9 7.1 -1.2 3.7 6 6 A X < + 0 0 146 -3,-1.9 3,-0.2 -4,-0.1 -2,-0.1 -0.250 51.3 168.7 173.6 119.5 4.7 1.3 2.3 7 7 A S S S- 0 0 38 1,-1.0 2,-0.2 -5,-0.1 -3,-0.1 -0.294 91.0 -70.5-103.1 38.7 1.8 1.0 -0.0 8 8 A X S S- 0 0 150 2,-0.1 2,-1.4 1,-0.1 -1,-1.0 -0.597 94.4 -37.9 81.2-157.1 1.2 4.6 1.1 9 9 A X 0 0 151 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 -0.289 360.0 360.0 -93.1 59.2 -0.0 4.6 4.9 10 10 A R 0 0 198 -2,-1.4 -1,-0.2 0, 0.0 -2,-0.1 0.485 360.0 360.0-155.6 360.0 -2.2 1.4 4.6