==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OCTREOTIDE 26-NOV-96 1SOC . 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) . 1165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 50.0 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 . 3 37.5 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 . 1 12.5 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 . 1 12.5 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 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 ANTIPARALLEL 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 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 0 188 0, 0.0 7,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 64.5 1.9 0.1 -6.8 2 2 A a E +A 7 0A 93 5,-0.2 2,-0.4 0, 0.0 5,-0.3 -0.792 360.0 155.8-142.9 101.0 1.1 -1.9 -3.6 3 3 A F E > -A 6 0A 165 3,-2.7 3,-1.4 -2,-0.3 2,-0.2 -0.833 64.4 -72.2-128.2 92.3 3.0 -0.8 -0.4 4 4 A X T 3 S- 0 0 224 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.387 115.8 -9.3 66.5-127.2 1.2 -1.7 2.9 5 5 A K T 3 S+ 0 0 187 -2,-0.2 2,-1.5 1,-0.1 -1,-0.3 0.771 126.5 78.0 -72.8 -26.8 -2.0 0.4 3.5 6 6 A T E < S+A 3 0A 83 -3,-1.4 -3,-2.7 -4,-0.0 2,-0.3 -0.649 74.7 139.1 -77.1 83.7 -0.9 2.7 0.5 7 7 A a E A 2 0A 58 -2,-1.5 -5,-0.2 -5,-0.3 -2,-0.0 -0.993 360.0 360.0-141.1 136.6 -2.1 0.1 -2.2 8 8 A X 0 0 167 -7,-2.1 -2,-0.0 -2,-0.3 -5,-0.0 -0.763 360.0 360.0-161.3 360.0 -4.0 0.2 -5.6