==== 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 1HU7 . COMPND 2 MOLECULE: T7 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) . 2308.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 72.2 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 50.0 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 1 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 0 241 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.2 2.1 0.0 -1.2 2 2 A N + 0 0 133 1,-0.1 3,-0.3 2,-0.1 0, 0.0 0.153 360.0 53.4 -53.9-178.9 5.8 -0.0 -1.9 3 3 A L S S- 0 0 107 1,-0.2 2,-3.4 2,-0.1 4,-0.2 0.966 75.3-149.9 48.1 70.8 8.1 2.5 -0.1 4 4 A R S S- 0 0 190 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.348 74.7 -50.9 -69.7 65.4 6.9 1.7 3.4 5 5 A R S > S+ 0 0 170 -2,-3.4 3,-4.5 -3,-0.3 4,-0.3 0.399 95.9 146.9 80.8 -2.6 7.5 5.3 4.5 6 6 A I T >> + 0 0 44 1,-0.3 4,-2.4 2,-0.2 3,-1.4 0.782 53.6 86.5 -32.7 -36.0 11.0 4.8 3.0 7 7 A T H 3> S+ 0 0 101 1,-0.3 4,-1.9 -4,-0.2 -1,-0.3 0.782 83.9 57.3 -37.2 -34.2 10.5 8.5 2.3 8 8 A R H <> S+ 0 0 161 -3,-4.5 4,-2.2 1,-0.2 -1,-0.3 0.935 106.4 44.8 -65.1 -48.7 11.9 8.9 5.8 9 9 A K H <> S+ 0 0 124 -3,-1.4 4,-3.5 -4,-0.3 -2,-0.2 0.814 107.7 62.1 -64.5 -31.0 15.1 7.0 4.9 10 10 A I H X S+ 0 0 92 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.943 109.8 37.8 -59.1 -50.7 15.3 9.1 1.7 11 11 A I H X S+ 0 0 82 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.836 114.7 57.9 -69.2 -33.8 15.6 12.3 3.7 12 12 A H H X S+ 0 0 86 -4,-2.2 4,-1.2 2,-0.2 5,-0.3 0.960 101.7 53.7 -59.9 -54.7 17.7 10.5 6.2 13 13 A I H >X>S+ 0 0 67 -4,-3.5 4,-9.9 2,-0.3 3,-1.9 0.934 112.1 43.7 -43.6 -62.6 20.3 9.5 3.6 14 14 A I H 3X5S+ 0 0 110 -4,-1.5 4,-1.2 1,-0.3 -1,-0.3 0.893 116.6 47.4 -50.9 -44.1 20.7 13.1 2.4 15 15 A K H 3<5S+ 0 0 160 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.3 0.588 126.8 31.0 -73.4 -10.3 20.8 14.1 6.1 16 16 A K H <<5S+ 0 0 145 -3,-1.9 -2,-0.3 -4,-1.2 -3,-0.2 0.681 129.6 36.2-113.6 -37.1 23.2 11.3 6.5 17 17 A Y H <5 0 0 196 -4,-9.9 -3,-0.2 -5,-0.3 -2,-0.2 0.288 360.0 360.0 -99.5 6.8 24.9 11.3 3.1 18 18 A G << 0 0 99 -4,-1.2 -4,-0.1 -5,-0.6 -3,-0.1 0.132 360.0 360.0 -32.4 360.0 24.7 15.0 2.9