==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OCTREOTIDE 26-NOV-96 2SOC . COMPND 2 MOLECULE: SANDOSTATIN; . AUTHOR G.MELACINI,Q.ZHU,M.GOODMAN . 8 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 5 62.5 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 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 12.5 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 X 0 0 211 0, 0.0 2,-0.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-139.2 1.1 1.1 -6.0 2 2 A a + 0 0 85 4,-0.1 2,-0.2 5,-0.1 3,-0.1 -0.519 360.0 129.2 -80.6 104.1 0.9 -1.7 -3.3 3 3 A F S > S- 0 0 195 -2,-0.8 3,-0.5 1,-0.1 2,-0.4 -0.722 83.8 -52.1-147.5 90.7 3.2 -1.3 -0.2 4 4 A X G >> S+ 0 0 185 -2,-0.2 3,-2.1 1,-0.2 4,-0.5 -0.627 130.0 15.3 72.3-128.1 1.1 -1.6 3.1 5 5 A K G >4 S+ 0 0 146 -2,-0.4 3,-0.5 1,-0.3 -1,-0.2 0.756 116.4 67.7 -63.0 -26.6 -2.0 0.7 3.3 6 6 A T G <4 S+ 0 0 88 -3,-0.5 -1,-0.3 1,-0.2 -4,-0.1 0.772 95.6 60.6 -54.2 -28.9 -2.1 1.6 -0.6 7 7 A a G <4 0 0 44 -3,-2.1 -1,-0.2 -6,-0.1 -2,-0.2 0.864 360.0 360.0 -62.0 -43.4 -3.0 -2.2 -1.1 8 8 A X << 0 0 140 -3,-0.5 -3,-0.0 -4,-0.5 0, 0.0 -0.295 360.0 360.0-160.2 360.0 -6.3 -1.9 1.0