==== 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 17-MAR-01 1I93 . COMPND 2 MOLECULE: ION-SELECTIVE LIGAND D16; . 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) . 1561.0 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 . 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 . 2 18.2 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 0 116 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 40.2 12.8 33.7 -10.9 2 3 A H + 0 0 128 1,-0.1 7,-0.1 8,-0.0 4,-0.1 -0.538 360.0 124.5-131.9 70.8 10.9 32.5 -14.0 3 4 A W + 0 0 212 -2,-0.2 -1,-0.1 1,-0.1 6,-0.0 -0.321 34.5 110.7-122.9 51.8 9.2 29.2 -13.3 4 5 A L S > S- 0 0 93 3,-0.1 3,-1.5 -3,-0.0 -1,-0.1 -0.338 100.5 -88.6-119.8 52.9 5.5 30.0 -14.1 5 6 A R T 3 S- 0 0 207 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 0.776 92.3 -51.8 51.0 23.8 5.0 27.9 -17.3 6 7 A G T 3 S+ 0 0 62 -4,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.771 108.1 135.2 85.5 25.7 6.3 30.9 -19.3 7 8 A D S < S- 0 0 101 -3,-1.5 2,-2.0 1,-0.1 -3,-0.1 0.193 74.7 -36.1 -85.4-150.0 3.8 33.3 -17.6 8 9 A M + 0 0 151 1,-0.1 2,-1.3 -4,-0.1 3,-0.4 -0.494 64.2 174.3 -75.5 84.3 4.8 36.8 -16.3 9 10 A R + 0 0 153 -2,-2.0 -1,-0.1 1,-0.2 -2,-0.0 -0.290 34.4 123.9 -86.7 53.4 8.2 35.9 -15.0 10 11 A R 0 0 212 -2,-1.3 -1,-0.2 -8,-0.0 -8,-0.0 0.967 360.0 360.0 -78.2 -55.3 9.1 39.6 -14.1 11 12 A a 0 0 126 -3,-0.4 -2,-0.1 0, 0.0 -9,-0.0 0.972 360.0 360.0 55.6 360.0 9.9 39.1 -10.4