==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROPEPTIDE 12-NOV-02 1N6T . COMPND 2 MOLECULE: NEUROKININ A; . SOURCE 2 SYNTHETIC: YES; . AUTHOR I.R.CHANDRASHEKAR,S.M.COWSIK . 10 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 70.0 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 . 6 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 10.0 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 H >> 0 0 196 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 176.5 2.1 0.0 -1.2 2 2 A K T 34 + 0 0 181 1,-0.2 4,-0.2 2,-0.2 0, 0.0 0.725 360.0 64.0 -70.3 -22.0 5.3 -1.8 -2.2 3 3 A T T >4 S+ 0 0 112 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.789 102.2 47.7 -70.8 -29.0 7.1 1.1 -0.5 4 4 A D G X4 S+ 0 0 114 -3,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.669 95.8 73.5 -83.4 -19.6 5.6 0.1 2.8 5 5 A S G >< S+ 0 0 83 -4,-0.8 3,-2.7 1,-0.3 -1,-0.2 0.581 70.4 91.4 -69.1 -9.3 6.5 -3.5 2.1 6 6 A F G X + 0 0 114 -3,-0.6 3,-2.4 1,-0.3 4,-0.4 0.707 65.8 78.6 -58.0 -20.3 10.1 -2.4 2.9 7 7 A V G X S+ 0 0 82 -3,-1.6 3,-1.2 1,-0.3 -1,-0.3 0.729 80.1 69.2 -60.6 -21.6 9.3 -3.4 6.5 8 8 A G G < S+ 0 0 73 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.672 86.6 65.9 -70.2 -17.6 9.9 -6.9 5.2 9 9 A L G < 0 0 156 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.698 360.0 360.0 -75.6 -20.5 13.6 -5.9 4.9 10 10 A M < 0 0 195 -3,-1.2 -2,-0.2 -4,-0.4 -3,-0.1 0.930 360.0 360.0 -83.4 360.0 13.6 -5.6 8.7