==== 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 2FXZ . COMPND 2 MOLECULE: 13-MER PEPTIDE FROM THERMONUCLEASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.WANG,L.SHAN,J.F.WANG . 13 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 61.5 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 . 1 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 15.4 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 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 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 97 A K 0 0 246 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 151.0 -4.5 3.2 -7.4 2 98 A M >> - 0 0 138 1,-0.1 4,-1.9 0, 0.0 3,-1.3 -0.987 360.0-109.0-161.0 158.0 -5.8 1.1 -4.5 3 99 A V H 3> S+ 0 0 105 -2,-0.3 4,-0.8 1,-0.3 5,-0.2 0.818 114.9 66.4 -59.9 -31.2 -5.5 0.5 -0.8 4 100 A N H 3> S+ 0 0 131 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.819 110.1 35.9 -60.2 -31.2 -3.7 -2.7 -1.5 5 101 A E H <> S+ 0 0 144 -3,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.749 112.8 57.7 -92.3 -29.0 -0.8 -0.7 -3.0 6 102 A A H < S+ 0 0 56 -4,-1.9 5,-0.2 1,-0.2 -2,-0.2 0.484 104.7 54.8 -79.9 -2.0 -1.1 2.2 -0.5 7 103 A L H >X>S+ 0 0 108 -4,-0.8 4,-1.4 -5,-0.2 5,-1.2 0.774 103.3 51.6 -97.9 -34.6 -0.5 -0.3 2.3 8 104 A V H 3<>S+ 0 0 55 -4,-0.6 5,-0.9 3,-0.2 -2,-0.2 0.805 100.2 65.3 -70.9 -30.1 2.7 -1.7 1.0 9 105 A R T 3<5S+ 0 0 176 -4,-1.1 -1,-0.2 3,-0.2 -2,-0.1 0.798 127.5 5.6 -62.2 -29.5 4.1 1.8 0.7 10 106 A Q T <45S+ 0 0 141 -3,-0.5 -2,-0.2 -4,-0.2 -3,-0.1 0.706 133.2 45.9-117.0 -66.1 3.9 2.1 4.4 11 107 A G T <5S+ 0 0 65 -4,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.907 127.5 30.9 -49.1 -50.4 2.9 -1.1 6.2 12 108 A L T < 0 0 131 -5,-1.2 -1,-0.2 0, 0.0 -3,-0.2 0.795 360.0 360.0 -79.8 -30.3 5.3 -3.2 4.2 13 109 A A < 0 0 119 -5,-0.9 -4,-0.1 -6,-0.3 0, 0.0 -0.429 360.0 360.0 -59.6 360.0 7.8 -0.4 3.8