==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN, LIPID BINDING PROTEIN 24-SEP-06 2IGR . COMPND 2 MOLECULE: ANTICANCER PEPTIDE CB1A; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.-M.WU . 33 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 29 87.9 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 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 63.6 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 1 0 0 0 0 0 0 0 0 1 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 K > 0 0 211 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 112.2 -6.4 17.8 -4.6 2 2 A W T > + 0 0 197 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.686 360.0 78.4 -66.6 -12.6 -8.7 15.5 -2.7 3 3 A K T >> S+ 0 0 163 1,-0.2 3,-1.1 2,-0.2 4,-0.6 0.805 80.2 67.7 -66.7 -24.7 -8.3 13.1 -5.6 4 4 A V H X> S+ 0 0 77 -3,-1.7 3,-1.3 1,-0.3 4,-1.2 0.857 86.3 68.1 -64.0 -31.5 -5.0 12.1 -4.1 5 5 A F H <> S+ 0 0 85 -3,-0.9 4,-3.0 -4,-0.4 -1,-0.3 0.838 85.8 70.2 -58.3 -28.6 -6.8 10.5 -1.1 6 6 A K H <> S+ 0 0 138 -3,-1.1 4,-2.5 -4,-0.5 -1,-0.3 0.912 97.6 49.5 -57.0 -38.0 -8.1 7.9 -3.6 7 7 A K H S+ 0 0 161 -3,-0.5 4,-0.6 -4,-0.3 3,-0.2 0.907 104.6 44.4 -69.1 -39.0 -4.5 -7.7 1.5 18 18 A I H >X S+ 0 0 75 -4,-1.0 4,-2.2 -3,-0.5 3,-0.6 0.821 97.9 74.0 -75.4 -28.1 -0.8 -8.3 2.3 19 19 A E H 3< S+ 0 0 86 -4,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.935 101.2 43.5 -50.3 -44.3 -1.5 -8.5 6.0 20 20 A K H 3< S+ 0 0 176 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.756 118.2 45.7 -73.3 -21.0 -3.0 -11.9 5.3 21 21 A A H << S- 0 0 88 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.540 144.8 -27.0 -97.2 -7.5 0.0 -12.6 3.0 22 22 A G < - 0 0 29 -4,-2.2 2,-1.4 -3,-0.3 3,-0.4 0.038 50.9-162.3 154.4 89.3 2.5 -11.2 5.6 23 23 A P >> + 0 0 55 0, 0.0 3,-1.8 0, 0.0 4,-1.2 -0.205 44.5 136.9 -79.5 45.2 1.7 -8.6 8.2 24 24 A K H 3> + 0 0 141 -2,-1.4 4,-0.5 1,-0.3 -5,-0.1 0.652 64.8 66.7 -68.9 -9.8 5.5 -7.8 8.7 25 25 A W H 34 S+ 0 0 173 -3,-0.4 -1,-0.3 1,-0.2 -6,-0.0 0.541 109.2 35.0 -87.3 -4.8 4.4 -4.2 8.7 26 26 A K H <> S+ 0 0 131 -3,-1.8 4,-1.0 2,-0.1 3,-0.3 0.499 98.1 78.5-122.0 -11.9 2.5 -4.6 12.0 27 27 A V H X S+ 0 0 74 -4,-1.2 4,-0.6 1,-0.2 3,-0.3 0.867 90.9 57.1 -67.2 -32.7 4.8 -7.2 13.7 28 28 A F H X S+ 0 0 166 -4,-0.5 4,-0.5 1,-0.2 3,-0.5 0.820 103.6 53.8 -68.0 -27.4 7.2 -4.4 14.7 29 29 A K H >> S+ 0 0 119 -3,-0.3 4,-1.2 1,-0.2 3,-0.7 0.765 90.6 75.1 -78.1 -23.5 4.3 -2.6 16.4 30 30 A K H 3< S+ 0 0 154 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.851 90.2 58.6 -57.9 -30.6 3.6 -5.8 18.5 31 31 A I H 3< S+ 0 0 136 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.2 0.889 99.8 55.8 -67.6 -36.1 6.7 -4.9 20.6 32 32 A E H << 0 0 137 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.833 360.0 360.0 -65.9 -28.8 5.2 -1.5 21.5 33 33 A K < 0 0 188 -4,-1.2 -1,-0.2 -3,-0.2 -4,-0.0 -0.623 360.0 360.0 -89.2 360.0 2.1 -3.3 22.9