==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTITUMOR PROTEIN 24-JUL-03 1Q2F . COMPND 2 MOLECULE: PNC27; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.ROSAL,M.R.PINCUS,P.W.BRANDT-RAUF,R.L.FINE,H.WANG . 32 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 75.0 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 . 10 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 9.4 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 2 0 1 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 P 0 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.3 -11.8 10.8 2.9 2 2 A P - 0 0 67 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.209 360.0 -86.1 -72.4-162.2 -12.5 9.0 -0.4 3 3 A L - 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.171 68.2-107.6 -97.0 16.1 -16.0 8.8 -2.1 4 4 A S S S+ 0 0 86 1,-0.2 2,-0.2 2,-0.0 0, 0.0 0.822 101.1 17.2 58.5 113.8 -16.8 5.7 -0.1 5 5 A Q S > S+ 0 0 167 1,-0.1 4,-0.7 0, 0.0 5,-0.2 -0.120 102.5 94.2 88.1 -37.5 -16.8 2.5 -2.1 6 6 A E T 4 S+ 0 0 131 -2,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.919 104.5 11.6 -51.0 -48.7 -14.8 4.3 -4.8 7 7 A T T >> S+ 0 0 32 2,-0.1 3,-2.2 3,-0.1 4,-0.8 0.790 111.2 69.0 -93.6 -94.8 -11.6 3.0 -3.3 8 8 A F T 34>S+ 0 0 94 1,-0.3 5,-1.2 2,-0.3 4,-0.5 0.412 94.2 68.6 10.1 -64.2 -11.9 0.3 -0.7 9 9 A S T 3<5S+ 0 0 94 -4,-0.7 -1,-0.3 1,-0.3 4,-0.2 0.865 129.4 2.8 -32.8 -60.5 -13.1 -1.9 -3.5 10 10 A D T <>5S+ 0 0 89 -3,-2.2 4,-1.4 -4,-0.3 -1,-0.3 0.588 133.1 64.6-104.2 -17.5 -9.6 -1.8 -4.9 11 11 A L H >X5S+ 0 0 69 -4,-0.8 4,-1.6 2,-0.2 3,-0.8 0.998 105.6 38.7 -68.3 -68.7 -8.1 0.3 -2.1 12 12 A W H 345S+ 0 0 157 -4,-0.5 4,-0.2 1,-0.3 -1,-0.2 0.849 121.2 48.9 -50.3 -36.3 -8.5 -2.2 0.8 13 13 A K H >4X S+ 0 0 100 -4,-3.5 3,-3.3 -5,-0.2 4,-2.0 0.909 89.7 73.1 -73.7 -43.6 1.0 -3.4 -1.9 19 19 A K H 3> S+ 0 0 95 -5,-0.3 4,-0.6 1,-0.3 -1,-0.2 0.841 79.9 77.0 -36.8 -44.3 1.3 -3.3 1.9 20 20 A M H 34>S+ 0 0 76 -5,-0.2 5,-0.5 1,-0.2 -1,-0.3 0.837 113.6 21.2 -35.8 -44.7 4.2 -5.7 1.4 21 21 A R H X4>S+ 0 0 115 -3,-3.3 3,-3.0 -4,-0.2 5,-2.7 0.857 117.1 63.6 -92.9 -45.2 6.2 -2.6 0.3 22 22 A R H 3<5S+ 0 0 107 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.290 112.4 43.0 -64.3 15.9 4.0 0.1 2.0 23 23 A N T 3<5S- 0 0 75 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.155 137.2 -9.1-144.8 14.4 5.2 -1.7 5.1 24 24 A Q T X>5S+ 0 0 143 -3,-3.0 3,-3.6 -5,-0.1 4,-0.5 -0.304 127.5 44.3-169.3 -99.2 8.8 -2.3 4.4 25 25 A F H >>> S+ 0 0 58 -3,-3.6 3,-1.5 -6,-0.4 4,-0.9 0.863 97.5 50.2 -40.4 -45.3 10.8 2.7 4.0 28 28 A K H << S+ 0 0 142 -3,-1.5 -1,-0.3 -4,-0.5 3,-0.2 0.873 90.3 77.2 -63.3 -37.7 13.6 3.0 1.4 29 29 A V H << S+ 0 0 101 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.690 101.8 44.0 -46.1 -16.7 11.3 5.0 -0.8 30 30 A Q H << S+ 0 0 127 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.819 79.7 174.4 -96.6 -41.4 12.1 7.7 1.7 31 31 A R < 0 0 190 -4,-0.9 -3,-0.1 1,-0.3 -4,-0.0 0.830 360.0 360.0 28.8 88.6 15.9 7.1 2.0 32 32 A G 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.622 360.0 360.0 57.9 360.0 16.7 10.1 4.2