==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 23-OCT-12 4HP2 . COMPND 2 MOLECULE: THIOSTREPTON; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AZUREUS; . AUTHOR K.PROEPPER,J.J.HOLSTEIN,C.B.HUEBSCHLE,C.S.BOND,B.DITTRICH . 22 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 0 0.0 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 . 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 2 A I 0 0 228 0, 0.0 2,-0.3 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -9.7 7.2 16.8 -2.7 2 3 A A + 0 0 94 4,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.934 360.0 95.1-173.8 161.3 6.9 13.4 -1.0 3 4 A X 0 0 98 -2,-0.3 4,-0.0 4,-0.0 0, 0.0 -0.839 360.0 360.0 144.3-174.6 9.1 10.8 0.7 4 5 A A 0 0 102 -2,-0.2 10,-0.0 25,-0.0 -2,-0.0 -0.982 360.0 360.0-130.1 360.0 10.0 9.9 4.2 5 ! 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 6 7 A X 0 0 152 0, 0.0 -4,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 12.8 14.4 13.7 3.3 7 8 A T 0 0 136 -4,-0.0 -4,-0.0 -6,-0.0 0, 0.0 -0.744 360.0 360.0-137.7 360.0 13.7 17.4 2.9 8 ! 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 9 10 A X 0 0 170 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 11.2 22.9 4.3 10 ! 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 11 12 A X 0 0 181 0, 0.0 -9,-0.0 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 360.0 7.6 18.3 6.2 12 ! 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 13 16 A X 0 0 115 0, 0.0 2,-0.3 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 5.1 10.6 8.4 10.8 14 17 A X 0 0 60 17,-0.1 17,-0.4 -10,-0.0 -10,-0.0 -0.876 360.0 360.0-174.4-173.8 10.8 4.7 11.0 15 18 A X 0 0 110 15,-0.3 15,-0.1 -2,-0.3 0, 0.0 -0.813 360.0 360.0-168.4 360.0 12.5 1.6 9.5 16 !* 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 17 2 B I 0 0 230 0, 0.0 2,-0.3 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 -7.8 18.1 17.0 24.7 18 3 B A + 0 0 95 4,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.925 360.0 98.3-176.1 161.1 18.4 13.8 22.8 19 4 B X 0 0 102 -2,-0.3 4,-0.0 4,-0.0 0, 0.0 -0.918 360.0 360.0 150.4-163.7 16.4 11.1 21.0 20 5 B A 0 0 106 -2,-0.3 -2,-0.0 -7,-0.0 10,-0.0 -0.977 360.0 360.0-131.7 360.0 15.3 10.3 17.5 21 ! 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 22 7 B X 0 0 152 0, 0.0 -4,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 15.4 10.9 14.2 18.5 23 8 B T 0 0 137 -4,-0.0 -4,-0.0 -6,-0.0 0, 0.0 -0.801 360.0 360.0-139.7 360.0 11.7 17.8 19.0 24 ! 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 25 10 B X 0 0 166 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 14.6 23.1 17.8 26 ! 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 27 12 B X 0 0 181 0, 0.0 -9,-0.0 0, 0.0 -7,-0.0 0.000 360.0 360.0 360.0 360.0 18.0 18.6 15.8 28 ! 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 29 16 B X 0 0 127 0, 0.0 2,-0.3 0, 0.0 -25,-0.0 0.000 360.0 360.0 360.0 1.5 14.7 9.2 10.8 30 17 B X 0 0 64 -15,-0.1 -15,-0.3 -10,-0.0 -10,-0.0 -0.892 360.0 360.0-175.4-177.9 15.1 5.5 10.9 31 18 B X 0 0 104 -17,-0.4 -17,-0.1 -2,-0.3 0, 0.0 -0.894 360.0 360.0 173.5 360.0 13.9 2.5 12.7