==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 05-JUN-87 1XY1 . COMPND 2 MOLECULE: BETA-MERCAPTOPROPIONATE-OXYTOCIN; . AUTHOR J.HUSAIN,T.L.BLUNDELL,S.P.WOOD,I.J.TICKLE,S.COOPER,J.E.PITTS . 16 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 4 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 . 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 . 4 25.0 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 Y > 0 0 112 0, 0.0 3,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 167.1 16.5 5.6 6.8 2 3 A I T 3 - 0 0 161 1,-0.3 3,-0.0 2,-0.0 0, 0.0 -0.388 360.0 -8.3 -54.1 120.2 15.8 4.9 3.1 3 4 A Q T 3 S+ 0 0 193 -2,-0.3 -1,-0.3 1,-0.1 2,-0.1 0.687 124.4 85.1 57.7 24.1 17.9 7.4 1.1 4 5 A N < + 0 0 95 -3,-2.3 -1,-0.1 1,-0.0 -2,-0.0 -0.556 49.9 116.1-150.4 74.5 18.7 9.3 4.4 5 6 A C > - 0 0 60 -2,-0.1 3,-0.6 1,-0.1 -2,-0.1 -0.761 33.9-178.3-145.1 98.3 21.7 7.6 5.8 6 7 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.664 77.2 70.8 -78.1 -7.7 24.8 9.8 6.1 7 8 A L T 3 0 0 146 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.862 360.0 360.0 -72.6 -40.6 26.8 6.9 7.5 8 9 A G < 0 0 94 -3,-0.6 -1,-0.3 0, 0.0 0, 0.0 -0.981 360.0 360.0 170.2 360.0 27.0 4.8 4.4 9 !* 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 10 2 B Y > 0 0 116 0, 0.0 3,-2.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 164.5 19.5 6.0 15.8 11 3 B I T 3 - 0 0 163 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.373 360.0 -2.9 -65.6 125.1 20.1 4.9 19.4 12 4 B Q T 3 S+ 0 0 192 -2,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.689 129.5 72.9 56.5 28.7 18.2 7.4 21.7 13 5 B N < + 0 0 108 -3,-2.6 -2,-0.1 0, 0.0 -1,-0.0 -0.287 56.8 120.8-157.9 65.2 17.3 9.4 18.6 14 6 B C > - 0 0 61 1,-0.1 3,-0.8 3,-0.1 -2,-0.1 -0.860 34.6-176.2-127.9 97.6 14.6 7.3 16.9 15 7 B P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.661 76.0 65.6 -72.9 -11.8 11.4 9.4 16.6 16 8 B L T 3 0 0 142 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.784 360.0 360.0 -77.3 -32.8 9.4 6.6 15.1 17 9 B G < 0 0 96 -3,-0.8 -1,-0.3 0, 0.0 -3,-0.1 -0.965 360.0 360.0-176.0 360.0 9.4 4.1 18.0