==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BETA-HAIRPIN 17-FEB-99 1XBH . COMPND 2 MOLECULE: PROTEIN (CYCLO(L-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) . 1583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 30.8 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 23.1 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 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 C 0 0 120 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.9 3.0 -8.9 -3.4 2 2 A I + 0 0 86 1,-0.1 11,-1.4 2,-0.0 10,-0.1 -0.241 360.0 157.7 -71.5 164.2 2.1 -5.3 -3.3 3 3 A Y - 0 0 139 9,-0.3 9,-0.3 10,-0.1 -1,-0.1 0.145 17.7-177.6-179.5 34.8 1.3 -3.5 -0.0 4 4 A Y + 0 0 157 6,-0.1 7,-1.0 1,-0.1 6,-0.1 0.080 9.2 168.0 -41.8 157.2 1.8 0.2 -0.5 5 5 A K E +A 10 0A 127 5,-0.2 2,-0.3 4,-0.0 5,-0.2 -0.195 45.2 51.5-177.1 69.8 1.3 2.4 2.5 6 6 A D E > +A 9 0A 131 3,-2.3 3,-0.6 1,-0.1 -2,-0.0 -0.953 60.4 73.3 173.7 177.1 2.5 6.0 2.1 7 7 A G T 3 S- 0 0 59 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.962 121.3 -62.9 58.8 56.7 2.4 9.1 -0.1 8 8 A E T 3 S+ 0 0 197 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.787 128.2 72.9 38.4 34.3 -1.1 10.0 0.8 9 9 A A E < -A 6 0A 56 -3,-0.6 -3,-2.3 2,-0.0 2,-0.3 -0.961 58.5-170.8-162.0 170.3 -2.0 6.7 -0.8 10 10 A L E +A 5 0A 124 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.968 4.4 175.3-162.2 167.5 -1.8 3.0 -0.3 11 11 A K - 0 0 143 -7,-1.0 2,-0.3 -2,-0.3 -2,-0.0 -0.967 6.4-166.7-170.8 166.0 -2.3 -0.3 -2.1 12 12 A Y 0 0 154 -9,-0.3 -9,-0.3 -2,-0.3 -2,-0.0 -0.935 360.0 360.0-166.4 141.9 -1.9 -4.1 -1.7 13 13 A X 0 0 90 -11,-1.4 -10,-0.1 -2,-0.3 -1,-0.1 0.859 360.0 360.0 73.1 360.0 -2.0 -7.2 -3.9