==== 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 04-OCT-09 2KOZ . COMPND 2 MOLECULE: NASONIN-1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.KOUNO,C.TIAN,L.LUO,S.ZHU,M.MIZUGUCHI . 33 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2849.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 57.6 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 . 6 18.2 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 . 1 3.0 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 . 1 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 6.1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 118 0, 0.0 5,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 116.3 14.3 -1.6 2.4 2 2 A a + 0 0 40 4,-0.1 23,-0.1 5,-0.1 22,-0.1 0.523 360.0 135.4 -83.3 -2.7 11.2 -3.0 0.7 3 3 A N S > S- 0 0 62 1,-0.2 4,-2.1 4,-0.1 5,-0.2 -0.014 73.0-112.1 -42.1 149.5 9.9 -4.4 4.0 4 4 A D H >>S+ 0 0 95 3,-0.2 4,-2.1 1,-0.2 5,-0.6 0.725 110.5 74.9 -61.9 -16.5 6.2 -3.7 4.5 5 5 A R H >5S+ 0 0 164 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.997 111.6 18.6 -60.0 -69.6 7.3 -1.3 7.3 6 6 A D H >5S+ 0 0 104 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.838 128.3 56.3 -72.3 -29.3 8.6 1.6 5.2 7 7 A b H X5S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 -3,-0.2 0.987 111.2 39.8 -66.5 -56.9 6.7 0.3 2.1 8 8 A S H X5S+ 0 0 27 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.970 114.5 53.9 -57.7 -52.4 3.2 0.3 3.8 9 9 A L H XS+ 0 0 0 -4,-2.8 5,-1.5 1,-0.2 4,-1.2 0.924 107.2 48.2 -61.8 -41.3 1.9 3.6 0.6 12 12 A I H <5S+ 0 0 95 -4,-3.0 -1,-0.2 5,-0.2 -2,-0.2 0.833 116.2 44.9 -69.2 -28.5 -0.6 5.1 3.1 13 13 A M H <5S+ 0 0 162 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.893 101.8 64.0 -82.1 -40.7 1.1 8.5 2.6 14 14 A K H <5S- 0 0 99 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.2 0.877 129.2 -89.3 -51.3 -36.1 1.2 8.3 -1.2 15 15 A G T <5S+ 0 0 46 -4,-1.2 -3,-0.2 -5,-0.2 -1,-0.1 0.251 99.8 92.7 143.1 -9.5 -2.6 8.3 -1.2 16 16 A Y S -A 25 0A 58 3,-0.7 3,-1.2 -2,-0.3 4,-0.1 -0.962 68.2 -32.6-125.6 121.4 7.3 -7.0 -4.5 23 23 A R T 3 S- 0 0 243 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.809 132.1 -42.0 43.1 26.8 10.2 -8.8 -6.1 24 24 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -22,-0.1 2,-0.2 0.749 128.6 94.2 92.9 26.1 12.3 -6.5 -3.9 25 25 A S E < S-A 22 0A 52 -3,-1.2 -3,-0.7 -23,-0.1 2,-0.3 -0.483 72.4-110.2-129.1-158.7 10.1 -3.4 -4.5 26 26 A b E +A 21 0A 33 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.870 29.8 175.7-147.3 112.6 7.1 -1.6 -2.9 27 27 A Q E -A 20 0A 103 -7,-2.0 -7,-1.4 -2,-0.3 2,-0.3 -0.765 16.7-142.6-112.7 160.5 3.6 -1.5 -4.2 28 28 A c E -A 19 0A 28 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.799 8.2-161.2-119.5 163.8 0.4 0.0 -2.7 29 29 A R E -A 18 0A 192 -11,-3.7 -11,-1.6 -2,-0.3 -12,-0.9 -0.983 10.6-141.0-146.7 133.3 -3.2 -1.0 -2.6 30 30 A R - 0 0 174 -2,-0.3 2,-0.7 -14,-0.2 -14,-0.1 -0.636 10.6-140.6 -92.6 151.9 -6.4 0.9 -1.8 31 31 A T + 0 0 97 -2,-0.2 2,-0.3 2,-0.1 -1,-0.0 -0.644 64.5 83.6-111.4 77.1 -9.3 -0.6 0.1 32 32 A S 0 0 103 -2,-0.7 -2,-0.1 0, 0.0 0, 0.0 -0.987 360.0 360.0-166.4 158.7 -12.5 0.7 -1.6 33 33 A G 0 0 153 -2,-0.3 -2,-0.1 0, 0.0 0, 0.0 -0.560 360.0 360.0 131.5 360.0 -14.8 -0.0 -4.6