==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 18-MAR-01 1I98 . COMPND 2 MOLECULE: ION-SELECTIVE LIGAND D18; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.W.SMITH,H.LE CALVEZ,L.PARRA-GESSERT,N.E.PREECE,X.JIA, . 11 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 2 18.2 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 . 1 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 9.1 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 2 A a 0 0 78 0, 0.0 2,-1.6 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-168.4 -0.8 -2.3 0.0 2 3 A R + 0 0 242 8,-0.0 2,-0.2 0, 0.0 8,-0.0 -0.550 360.0 89.1 -88.5 79.1 -3.6 -2.1 2.6 3 4 A W S S- 0 0 204 -2,-1.6 2,-0.1 5,-0.1 4,-0.0 -0.813 82.2 -58.3-151.3-167.0 -2.1 0.5 5.0 4 5 A L > - 0 0 138 -2,-0.2 3,-1.5 1,-0.1 -1,-0.1 -0.366 50.7-107.8 -80.9 162.1 -1.8 4.2 5.7 5 6 A R T 3 S+ 0 0 225 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 0.703 117.5 65.8 -64.8 -13.8 -0.4 6.7 3.1 6 7 A G T 3 S+ 0 0 72 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.123 87.6 92.0 -93.9 24.7 2.7 7.0 5.3 7 8 A D S < S- 0 0 53 -3,-1.5 -2,-0.0 1,-0.2 -4,-0.0 -0.082 87.5 -65.8 -98.2-157.5 3.7 3.4 4.8 8 9 A W - 0 0 222 1,-0.2 -1,-0.2 -2,-0.0 -5,-0.1 -0.130 63.7 -78.6 -82.2-174.8 6.0 1.8 2.2 9 10 A R S S- 0 0 208 1,-0.1 -1,-0.2 -2,-0.0 0, 0.0 0.097 73.4 -51.4 -71.8-167.3 5.4 1.7 -1.6 10 11 A Q 0 0 169 1,-0.1 -1,-0.1 -9,-0.0 -8,-0.0 0.143 360.0 360.0 -56.1-175.8 3.0 -0.8 -3.3 11 12 A a 0 0 132 -3,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.365 360.0 360.0 -82.7 360.0 3.3 -4.5 -2.6