==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-FEB-06 2FXY . COMPND 2 MOLECULE: 18-MER PEPTIDE FROM THERMONUCLEASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.WANG,L.SHAN,J.F.WANG . 18 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 50.0 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 . 2 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 38.9 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 55 A G 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.4 2.5 13.2 -10.0 2 56 A P + 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.919 360.0 163.9 -91.1 -60.4 4.5 10.2 -8.7 3 57 A E > + 0 0 143 1,-0.1 4,-0.7 3,-0.1 0, 0.0 0.793 40.8 118.9 42.2 35.0 2.1 8.2 -6.5 4 58 A A H > + 0 0 62 2,-0.2 4,-1.3 3,-0.1 -1,-0.1 0.904 68.7 44.5 -91.0 -54.1 4.6 5.4 -6.8 5 59 A S H 4 S+ 0 0 96 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.832 110.9 58.9 -60.4 -32.8 5.6 4.8 -3.2 6 60 A A H >> S+ 0 0 46 1,-0.2 4,-2.9 2,-0.2 3,-2.8 0.953 101.8 50.7 -61.7 -52.3 1.9 5.1 -2.2 7 61 A F H 3X S+ 0 0 134 -4,-0.7 4,-1.1 1,-0.3 -1,-0.2 0.812 106.4 57.4 -56.4 -30.2 0.8 2.2 -4.4 8 62 A T H 3< S+ 0 0 91 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.426 116.1 36.6 -80.9 1.8 3.6 0.1 -2.8 9 63 A K H <> S+ 0 0 137 -3,-2.8 4,-2.1 2,-0.1 -2,-0.2 0.717 111.8 51.7-116.8 -50.5 2.0 0.9 0.6 10 64 A K H X S+ 0 0 102 -4,-2.9 4,-1.9 1,-0.2 -3,-0.2 0.852 109.7 54.7 -58.7 -35.3 -1.8 0.8 0.0 11 65 A M H X S+ 0 0 100 -4,-1.1 4,-0.9 -5,-0.4 -1,-0.2 0.958 108.5 45.6 -63.6 -51.4 -1.5 -2.6 -1.6 12 66 A V H 4 S+ 0 0 72 1,-0.3 3,-0.4 -5,-0.2 -1,-0.2 0.849 117.3 46.7 -59.6 -33.6 0.3 -4.1 1.3 13 67 A E H >< S+ 0 0 148 -4,-2.1 3,-0.7 1,-0.2 -1,-0.3 0.750 96.1 73.7 -78.8 -26.3 -2.3 -2.4 3.5 14 68 A N H 3< S+ 0 0 135 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.807 124.7 6.0 -57.3 -30.0 -5.1 -3.7 1.2 15 69 A A T 3< S+ 0 0 51 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 -0.077 83.1 134.6-146.3 37.1 -4.5 -7.1 2.7 16 70 A K < - 0 0 124 -3,-0.7 -3,-0.1 1,-0.1 -2,-0.1 0.705 66.0-130.3 -61.6 -19.1 -1.9 -6.6 5.5 17 71 A K 0 0 159 -4,-0.2 -1,-0.1 1,-0.2 -4,-0.1 0.871 360.0 360.0 69.5 37.7 -4.2 -8.8 7.6 18 72 A I 0 0 197 -5,-0.2 -1,-0.2 0, 0.0 -5,-0.0 0.662 360.0 360.0 42.6 360.0 -4.2 -6.3 10.5