==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROPEPTIDE 12-MAY-03 1P9F . COMPND 2 MOLECULE: NEUROKININ B; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.K.MANTHA,I.R.CHANDRASHEKAR,N.Z.BAQUER,S.M.COWSIK . 10 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 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 . 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 . 2 20.0 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 D > 0 0 153 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 154.6 2.1 0.0 -1.2 2 2 A M G > + 0 0 173 1,-0.3 3,-0.7 2,-0.2 4,-0.1 0.723 360.0 62.1 -62.3 -22.0 3.3 -3.0 -3.2 3 3 A H G > S+ 0 0 141 1,-0.2 3,-1.8 2,-0.2 4,-0.5 0.732 88.5 69.5 -75.1 -23.5 6.7 -2.4 -1.7 4 4 A D G X> S+ 0 0 90 -3,-1.5 4,-1.2 1,-0.3 3,-0.9 0.738 78.3 80.8 -65.1 -22.7 5.1 -3.0 1.7 5 5 A F G <4 S+ 0 0 130 -3,-0.7 4,-0.3 -4,-0.4 -1,-0.3 0.738 87.5 57.4 -55.0 -23.6 4.9 -6.6 0.6 6 6 A F G X> S+ 0 0 113 -3,-1.8 3,-1.5 2,-0.2 4,-0.8 0.864 95.8 60.2 -75.4 -38.7 8.5 -6.8 1.5 7 7 A V G X4 S+ 0 0 95 -3,-0.9 3,-0.6 -4,-0.5 -1,-0.2 0.826 103.0 54.0 -57.6 -32.4 7.9 -5.8 5.1 8 8 A G G 3< S+ 0 0 69 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.670 97.6 64.6 -75.2 -18.2 5.7 -8.8 5.4 9 9 A L G <4 0 0 133 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.727 360.0 360.0 -75.4 -23.1 8.6 -10.9 4.2 10 10 A M << 0 0 214 -4,-0.8 -4,-0.0 -3,-0.6 -3,-0.0 -0.673 360.0 360.0 -80.5 360.0 10.4 -10.0 7.3