==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 15-JAN-04 1S4A . COMPND 2 MOLECULE: HCO-(D-NLE-L-NLE)3-D-MENLE-L-NLE-D-NLE-L-NLE-OME; . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.NAVARRO,E.FENUDE,B.CELDA . 20 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 80.0 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 . 11 55.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 5.0 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 . 5 25.0 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 1 0 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 ANTIPARALLEL 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 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 0 144 0, 0.0 15,-2.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -42.3 36.1 7.7 5.0 2 2 A X E +AB 15 19A 59 17,-1.7 17,-3.0 13,-0.4 2,-0.8 -0.899 360.0 68.9-156.4 173.3 33.2 10.3 4.6 3 3 A X E S+AB 14 18A 71 11,-2.9 11,-2.9 -2,-0.3 15,-0.2 -0.846 101.4 26.3 108.4 -89.4 30.9 12.9 6.2 4 4 A X E S+AB 13 17A 93 13,-2.7 13,-2.5 -2,-0.8 2,-0.5 -0.599 97.0 59.1 -94.9 163.2 33.2 15.9 6.9 5 5 A X E S- B 0 16A 78 7,-2.5 2,-0.3 11,-0.3 11,-0.3 -0.892 96.6 -21.5 129.9-100.3 36.4 16.7 5.0 6 6 A X E S+ B 0 15A 92 9,-2.6 9,-2.6 -2,-0.5 -3,-0.1 -0.981 86.3 81.8-143.7 153.9 36.4 17.3 1.2 7 7 A X E + B 0 14A 114 -2,-0.3 2,-2.4 7,-0.2 7,-0.3 -0.116 58.5 104.9 139.5 -37.6 34.0 16.4 -1.8 8 8 A X S S- 0 0 108 5,-3.0 2,-2.2 7,-0.2 5,-0.1 -0.489 115.0 -66.7 -66.2 74.3 31.3 19.1 -1.6 9 9 A X 0 0 178 -2,-2.4 -1,-0.1 1,-0.2 5,-0.0 -0.206 360.0 360.0 78.7 -50.7 32.8 21.0 -4.6 10 10 A X 0 0 182 -2,-2.2 -1,-0.2 3,-0.1 -2,-0.1 0.749 360.0 360.0 -58.9 360.0 36.1 22.1 -3.0 11 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 12 1 B X 0 0 134 0, 0.0 -7,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -61.5 34.3 21.2 4.3 13 2 B X E +A 4 0A 75 -9,-0.4 -5,-3.0 -5,-0.1 2,-0.6 -0.898 360.0 83.7-162.9 175.2 32.4 17.9 3.8 14 3 B X E S+AB 3 7A 103 -11,-2.9 -11,-2.9 -7,-0.3 -7,-0.2 -0.894 100.5 20.2 113.7 -92.0 31.3 15.0 1.6 15 4 B X E S+AB 2 6A 103 -9,-2.6 -9,-2.6 -2,-0.6 2,-0.4 -0.620 98.5 61.9 -96.5 162.7 34.3 12.5 1.7 16 5 B X E S- B 0 5A 76 -15,-2.2 2,-0.3 -11,-0.3 -11,-0.3 -0.886 94.0 -14.5 133.2-101.7 36.9 12.5 4.5 17 6 B X E S+ B 0 4A 107 -13,-2.5 -13,-2.7 -2,-0.4 -3,-0.1 -0.972 91.0 71.3-138.4 151.5 36.1 11.9 8.2 18 7 B X E S+ B 0 3A 129 3,-0.3 2,-0.3 -2,-0.3 -15,-0.3 -0.283 95.9 36.7 137.4 -51.6 32.9 11.8 10.4 19 8 B X E S+ B 0 2A 108 -17,-3.0 -17,-1.7 -15,-0.2 2,-1.1 -0.857 103.2 38.3-128.1 167.2 31.1 8.7 9.3 20 9 B X 0 0 159 -2,-0.3 -3,-0.1 -19,-0.2 -17,-0.0 -0.851 360.0 360.0 91.3 -89.3 32.2 5.2 8.3 21 10 B X 0 0 201 -2,-1.1 -3,-0.3 -19,-0.1 -19,-0.2 -0.496 360.0 360.0 -73.8 360.0 34.9 5.4 10.9