==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 15-SEP-00 1FUL . COMPND 2 MOLECULE: RGD PEPTIDE ISOMER-B; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.ASSA-MUNT,X.JIA,P.LAAKKONEN,E.RUOSLAHTI . 11 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1 9.1 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 . 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+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 1 A A 0 0 135 0, 0.0 2,-0.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 163.4 -5.8 -3.4 -4.2 2 2 A a + 0 0 55 4,-0.1 7,-0.1 3,-0.1 0, 0.0 -0.798 360.0 132.1-138.2 100.0 -3.5 -0.6 -2.9 3 3 A D S S- 0 0 94 -2,-0.4 6,-0.3 5,-0.1 -1,-0.1 0.775 96.1 -33.7-107.0 -62.7 -3.8 0.6 0.6 4 4 A b S S+ 0 0 24 4,-0.3 6,-2.4 6,-0.0 7,-0.2 -0.116 134.4 48.5-151.3 41.0 -0.2 0.7 1.8 5 5 A R S S+ 0 0 168 4,-0.3 -3,-0.1 5,-0.1 4,-0.0 0.483 97.6 51.0-149.0 -42.6 1.5 -2.3 0.0 6 6 A G S S- 0 0 56 -5,-0.2 -4,-0.1 1,-0.1 0, 0.0 0.875 138.4 -16.1 -71.4 -95.5 0.9 -2.5 -3.8 7 7 A D S S+ 0 0 138 -6,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.006 139.4 60.3 -98.2 30.7 1.6 0.9 -5.3 8 8 A a S S- 0 0 26 0, 0.0 2,-0.4 0, 0.0 -4,-0.3 -0.917 78.6-132.6-145.0 165.1 1.5 2.4 -1.8 9 9 A F - 0 0 164 -2,-0.3 -4,-0.3 -6,-0.3 -2,-0.0 -0.970 11.9-158.4-136.4 131.0 3.5 1.7 1.4 10 10 A b 0 0 102 -6,-2.4 -5,-0.1 -2,-0.4 -1,-0.1 0.472 360.0 360.0 -79.2 0.7 2.5 1.0 5.0 11 11 A G 0 0 120 -7,-0.2 -1,-0.2 -6,-0.0 -7,-0.0 0.144 360.0 360.0 155.5 360.0 6.0 2.0 6.1