==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR 09-NOV-04 1XY6 . COMPND 2 MOLECULE: SST1-SELECTIVE SOMATOSATIN ANALOG; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.R.R.GRACE,L.DURRER,S.C.KOERBER,J.ERCHEGYI,J.C.REUBI, . 12 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 25.0 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 . 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 . 1 8.3 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 8.3 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 Y 0 0 222 0, 0.0 2,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 175.0 5.4 -0.5 -0.9 2 2 A a + 0 0 44 3,-0.1 8,-1.2 7,-0.0 3,-0.3 -0.403 360.0 47.3 58.8-100.1 2.2 -2.4 -0.6 3 3 A K S S- 0 0 154 -2,-0.9 6,-0.1 1,-0.2 8,-0.0 -0.563 130.9 -2.3 -73.9 129.2 0.9 -0.8 2.5 4 4 A F + 0 0 113 -2,-0.3 -1,-0.2 1,-0.1 5,-0.2 0.976 67.3 176.1 52.0 81.1 1.1 3.0 2.4 5 5 A E S S- 0 0 56 3,-0.6 -1,-0.1 -3,-0.3 -2,-0.1 0.373 76.5 -61.4 -93.3 2.1 2.8 3.5 -1.0 6 6 A X S S+ 0 0 211 -5,-0.1 3,-0.1 4,-0.0 -3,-0.0 -0.189 136.7 38.0 147.1 -42.4 2.5 7.3 -0.5 7 7 A X S S- 0 0 258 1,-0.3 2,-0.3 3,-0.1 0, 0.0 0.880 117.2 -60.5 -97.4 -64.6 -1.2 7.8 -0.3 8 8 A T S S- 0 0 31 2,-0.0 -3,-0.6 0, 0.0 -1,-0.3 -0.969 80.8 -31.0-174.9 170.9 -2.6 4.9 1.6 9 9 A F S S+ 0 0 164 -2,-0.3 2,-0.3 -5,-0.2 -6,-0.2 -0.091 85.3 133.2 -38.9 96.7 -3.1 1.1 1.8 10 10 A K + 0 0 77 -8,-1.2 -5,-0.1 1,-0.3 -3,-0.1 -0.985 38.2 26.1-152.2 154.1 -3.1 0.5 -2.0 11 11 A S 0 0 90 -2,-0.3 -1,-0.3 1,-0.2 -7,-0.0 0.540 360.0 360.0 65.3 140.1 -1.6 -1.9 -4.5 12 12 A a 0 0 142 -3,-0.1 -1,-0.2 -9,-0.0 -9,-0.0 -0.319 360.0 360.0 57.3 360.0 -0.4 -5.3 -3.5