==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NEUROPEPTIDE 07-JUN-07 2JQS . COMPND 2 MOLECULE: ALLATOSTATINS; . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.MEYEROWITZ,C.HUANG,S.MOHANTY . 8 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 3 37.5 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 . 1 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 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 1 A D 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.6 -1.4 4.1 4.3 2 2 A R + 0 0 194 3,-0.0 3,-0.0 4,-0.0 0, 0.0 0.774 360.0 19.7-109.8 -66.5 -1.0 4.8 0.6 3 3 A L S > S+ 0 0 76 1,-0.2 3,-0.8 2,-0.2 5,-0.1 0.834 133.4 45.2 -75.5 -34.5 1.4 2.4 -1.0 4 4 A Y G > S+ 0 0 158 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.492 96.2 77.1 -85.6 -5.3 0.9 -0.0 1.9 5 5 A S G 3 + 0 0 76 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.428 69.3 88.4 -82.5 0.1 -2.8 0.5 1.7 6 6 A F G < S- 0 0 89 -3,-0.8 2,-3.8 1,-0.2 -1,-0.2 0.200 97.1-129.4 -82.4 16.2 -2.8 -1.8 -1.3 7 7 A G < 0 0 75 -3,-0.6 -1,-0.2 1,-0.1 -3,-0.0 -0.240 360.0 360.0 68.3 -56.0 -3.2 -4.7 1.2 8 8 A L 0 0 172 -2,-3.8 -1,-0.1 -5,-0.1 -2,-0.1 -0.508 360.0 360.0 -78.1 360.0 -0.3 -6.4 -0.5