==== 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 13-MAR-01 1I8E . COMPND 2 MOLECULE: ION-SELECTIVE LIGAND A22; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.W.SMITH,H.LE CALVEZ,L.PARRA-GESSERT,N.E.PREECE,X.JIA, . 11 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 27.3 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 . 2 18.2 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 . 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 . 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 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 0 130 0, 0.0 2,-0.3 0, 0.0 10,-0.2 0.000 360.0 360.0 360.0 100.2 -8.4 8.3 0.5 2 3 A Y B -A 10 0A 177 8,-1.4 8,-1.0 2,-0.0 2,-0.5 -0.999 360.0-155.3-145.4 143.2 -6.8 4.8 0.6 3 4 A b + 0 0 91 -2,-0.3 6,-0.3 6,-0.2 0, 0.0 -0.679 30.6 166.1-117.9 78.9 -3.6 3.2 -0.8 4 5 A S - 0 0 27 -2,-0.5 -2,-0.0 4,-0.1 0, 0.0 -0.052 47.2-109.4 -79.1-172.3 -4.3 -0.5 -1.2 5 6 A L S S+ 0 0 179 2,-0.1 -1,-0.1 1,-0.0 4,-0.1 0.166 106.6 51.6-107.2 19.0 -2.1 -3.0 -3.1 6 7 A R S S- 0 0 194 2,-0.1 -1,-0.0 0, 0.0 -3,-0.0 0.713 131.9 -42.3-116.2 -64.9 -4.6 -3.5 -6.0 7 8 A G S S+ 0 0 56 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.207 100.0 106.8-156.6 18.8 -5.7 -0.2 -7.5 8 9 A D + 0 0 53 1,-0.1 -2,-0.1 -7,-0.0 -4,-0.1 -0.879 23.0 117.6-109.0 138.2 -6.4 2.2 -4.6 9 10 A b + 0 0 74 -2,-0.4 2,-0.3 -6,-0.3 -6,-0.2 0.106 64.5 52.4 172.2 47.7 -4.1 5.2 -3.7 10 11 A Y B A 2 0A 149 -8,-1.0 -8,-1.4 0, 0.0 -1,-0.0 -0.939 360.0 360.0-169.4-171.7 -6.0 8.4 -4.2 11 12 A a 0 0 122 -2,-0.3 -2,-0.0 -10,-0.2 0, 0.0 -0.745 360.0 360.0-125.2 360.0 -9.3 10.2 -3.1