==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BETA-HAIRPIN 02-AUG-99 1C4B . COMPND 2 MOLECULE: PROTEIN (CYCLO(RD-262)); . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.M.MCDONNELL,D.FUSHMAN,S.M.CAHILL,B.J.SUTTON,D.COWBURN . 13 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 38.5 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 . 5 38.5 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 . 1 7.7 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 . 1 7.7 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 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 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 C 0 0 66 0, 0.0 11,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 161.3 1.9 -6.7 2.3 2 2 A X E -A 11 0A 167 9,-0.3 2,-0.4 10,-0.1 9,-0.3 -0.932 360.0-174.9 159.0-131.3 1.9 -3.6 0.1 3 3 A X E -A 10 0A 95 7,-1.8 7,-2.6 -2,-0.3 2,-0.3 -0.993 5.2-175.6 142.2-131.2 2.5 0.1 0.7 4 4 A X E -A 9 0A 81 -2,-0.4 5,-0.3 5,-0.3 2,-0.3 -0.958 22.8-101.4 135.0-152.2 2.3 3.0 -1.7 5 5 A X E > S+A 8 0A 53 3,-2.2 3,-2.2 -2,-0.3 -2,-0.0 -0.906 79.3 50.3-158.4-178.4 3.0 6.7 -1.4 6 6 A X T 3 S- 0 0 213 1,-0.3 2,-0.4 -2,-0.3 -1,-0.2 0.916 138.8 -18.0 38.5 75.3 1.4 10.1 -1.0 7 7 A G T 3 S- 0 0 68 -3,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.277 125.0 -70.9 96.1 -45.9 -0.6 9.2 2.0 8 8 A X E < -A 5 0A 58 -3,-2.2 -3,-2.2 -2,-0.4 -4,-0.1 -0.972 38.9-138.6 159.6-145.7 -0.3 5.5 1.4 9 9 A X E -A 4 0A 123 -5,-0.3 -5,-0.3 -2,-0.3 2,-0.2 -0.221 34.5-103.4-168.7 -91.6 -1.6 3.0 -1.1 10 10 A X E +A 3 0A 122 -7,-2.6 -7,-1.8 -2,-0.0 2,-0.4 -0.787 35.2 164.8-179.8-134.8 -2.8 -0.5 -0.1 11 11 A X E -A 2 0A 148 -9,-0.3 -9,-0.3 -2,-0.2 2,-0.2 -0.995 17.2-155.1 132.9-135.0 -1.6 -4.1 -0.2 12 12 A X 0 0 125 -11,-1.2 -10,-0.1 -2,-0.4 -2,-0.0 -0.747 360.0 360.0 161.5-106.4 -2.9 -7.1 1.6 13 13 A X 0 0 145 -2,-0.2 -1,-0.1 -12,-0.1 -11,-0.1 0.907 360.0 360.0 91.7 360.0 -0.8 -10.2 2.4