==== 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 06-MAR-01 1I6Y . COMPND 2 MOLECULE: ION-SELECTIVE LIGAND A1; . 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) . 1333.0 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 . 1 9.1 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 . 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 0 105 0, 0.0 7,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 135.4 3.4 -3.2 -5.8 2 3 A R - 0 0 185 5,-0.6 2,-0.2 1,-0.3 6,-0.1 0.689 360.0 -61.9 -90.5-104.4 3.2 -0.2 -3.4 3 4 A V - 0 0 83 4,-0.2 -1,-0.3 2,-0.1 4,-0.1 -0.816 35.4-112.3-140.2 178.2 2.5 3.1 -5.2 4 5 A V S S+ 0 0 101 3,-0.3 2,-3.3 -2,-0.2 3,-0.2 0.597 79.7 107.6 -94.9 -5.6 4.1 5.4 -7.8 5 6 A R S S- 0 0 227 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.351 126.6 -47.5 -71.0 76.4 5.0 8.4 -5.7 6 7 A G S S+ 0 0 79 -2,-3.3 -1,-0.3 1,-0.1 -2,-0.1 0.888 140.7 83.8 63.4 33.6 8.6 7.4 -5.9 7 8 A D + 0 0 80 -3,-0.2 -5,-0.6 -4,-0.1 -3,-0.3 0.502 55.1 102.3-142.7 -10.3 7.4 3.9 -5.0 8 9 A Y - 0 0 98 -4,-0.2 -4,-0.1 -6,-0.1 -5,-0.0 -0.474 44.2-163.3 -84.1 156.7 6.2 1.9 -8.0 9 10 A L - 0 0 124 -2,-0.1 -1,-0.1 -7,-0.0 -2,-0.0 0.658 60.1 -53.6-100.2-101.2 8.2 -0.8 -9.7 10 11 A D 0 0 163 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.199 360.0 360.0-131.1 14.6 7.2 -2.0 -13.3 11 12 A a 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.212 360.0 360.0 -99.5 360.0 3.5 -2.8 -12.7