==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 04-JAN-01 1HU6 . COMPND 2 MOLECULE: G10 NOVISPIRIN; . SOURCE 2 SYNTHETIC: YES . AUTHOR M.V.SAWAI,A.J.WARING,W.R.KEARNEY,P.B.MCCRAY JR.,W.R.FORSYTH, . 18 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 7 38.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 27.8 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 1 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 K 0 0 192 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 175.9 2.1 0.0 -1.2 2 2 A N + 0 0 127 1,-0.2 5,-0.2 2,-0.1 0, 0.0 -0.789 360.0 11.3-115.3 159.1 2.4 2.7 -3.9 3 3 A L S > S+ 0 0 85 -2,-0.3 4,-6.4 1,-0.1 3,-0.4 0.720 80.9 148.5 47.8 20.5 0.7 3.2 -7.2 4 4 A R H > S+ 0 0 162 1,-0.3 4,-3.2 2,-0.3 5,-0.3 0.903 71.1 46.3 -48.1 -48.8 -1.5 0.4 -5.8 5 5 A R H 4 S+ 0 0 207 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.810 120.6 40.3 -64.6 -30.9 -4.5 1.9 -7.6 6 6 A I H > S+ 0 0 105 -3,-0.4 4,-1.7 2,-0.2 -2,-0.3 0.879 115.8 49.7 -83.4 -43.7 -2.3 2.1 -10.7 7 7 A I H X S+ 0 0 87 -4,-6.4 4,-0.6 1,-0.2 -3,-0.2 0.960 120.4 35.8 -58.8 -54.7 -0.5 -1.2 -10.2 8 8 A R H X S+ 0 0 135 -4,-3.2 4,-5.1 -5,-0.3 -1,-0.2 0.697 106.2 76.3 -71.7 -19.9 -3.8 -3.0 -9.7 9 9 A K H 4 S+ 0 0 130 -5,-0.3 -2,-0.2 -6,-0.3 -1,-0.2 0.974 92.6 47.9 -53.2 -63.6 -5.3 -0.7 -12.3 10 10 A G H < S+ 0 0 79 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.788 122.1 40.0 -48.1 -30.9 -3.7 -2.5 -15.2 11 11 A I H < S+ 0 0 93 -4,-0.6 -2,-0.2 -5,-0.2 -1,-0.2 0.959 70.4 151.2 -82.3 -64.2 -5.0 -5.6 -13.6 12 12 A H < + 0 0 58 -4,-5.1 -3,-0.1 1,-0.1 -4,-0.0 0.825 29.5 124.4 26.6 72.8 -8.4 -4.6 -12.4 13 13 A I > + 0 0 86 2,-0.1 3,-2.5 -5,-0.1 -1,-0.1 0.676 56.6 61.8-119.5 -50.2 -9.8 -8.1 -12.7 14 14 A I G > S+ 0 0 142 1,-0.3 3,-0.8 2,-0.2 -2,-0.1 0.752 104.3 56.9 -51.5 -24.0 -11.2 -8.9 -9.3 15 15 A K G 3 S+ 0 0 161 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.754 99.0 58.1 -78.3 -26.4 -13.5 -6.0 -10.0 16 16 A K G < S+ 0 0 154 -3,-2.5 2,-0.3 2,-0.0 -1,-0.2 -0.057 98.1 88.6 -92.8 31.1 -14.6 -7.7 -13.2 17 17 A Y < 0 0 186 -3,-0.8 -3,-0.0 1,-0.1 -4,-0.0 -0.853 360.0 360.0-127.2 162.6 -15.7 -10.7 -11.1 18 18 A G 0 0 131 -2,-0.3 -1,-0.1 0, 0.0 -3,-0.0 0.341 360.0 360.0 150.3 360.0 -18.9 -11.7 -9.3