==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIFREEZE PROTEIN 21-FEB-12 2LQ0 . COMPND 2 MOLECULE: DE NOVO DESIGNED ANTIFREEZE PEPTIDE 1M; . SOURCE 2 SYNTHETIC: YES . AUTHOR A.BHUNIA . 25 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 20 80.0 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 . 1 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 76.0 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 0 0 0 0 0 0 0 0 0 0 1 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 Q > 0 0 188 0, 0.0 4,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.4 2.1 0.0 -1.2 2 2 A R H > + 0 0 223 2,-0.2 4,-1.4 1,-0.2 3,-0.1 0.890 360.0 54.8 -77.1 -41.9 2.0 2.9 -3.8 3 3 A S H 4 S+ 0 0 99 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.883 114.4 41.2 -59.0 -40.1 2.4 0.6 -6.8 4 4 A N H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.680 104.1 69.5 -81.2 -19.1 -0.6 -1.4 -5.7 5 5 A F H X S+ 0 0 134 -4,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.880 94.1 55.7 -65.7 -39.0 -2.5 1.7 -4.7 6 6 A H H X S+ 0 0 156 -4,-1.4 4,-0.8 1,-0.2 3,-0.3 0.967 115.3 35.7 -57.5 -56.8 -2.8 2.8 -8.3 7 7 A P H > S+ 0 0 80 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.743 117.8 54.4 -69.8 -24.0 -4.5 -0.4 -9.4 8 8 A L H X S+ 0 0 60 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.729 93.6 70.6 -81.8 -23.7 -6.3 -0.7 -6.1 9 9 A A H X S+ 0 0 34 -4,-1.9 4,-2.0 -3,-0.3 -1,-0.2 0.895 96.9 51.0 -59.4 -41.9 -7.8 2.8 -6.5 10 10 A A H X S+ 0 0 59 -4,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.912 111.1 47.6 -62.7 -44.1 -10.1 1.6 -9.3 11 11 A S H X S+ 0 0 78 -4,-0.8 4,-1.0 1,-0.2 -2,-0.2 0.921 116.2 43.1 -63.6 -45.6 -11.4 -1.2 -7.2 12 12 A F H X S+ 0 0 106 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.779 115.0 51.8 -71.2 -27.1 -12.0 1.0 -4.1 13 13 A I H X S+ 0 0 106 -4,-2.0 4,-3.0 -5,-0.3 5,-0.2 0.884 108.2 48.8 -76.2 -40.7 -13.5 3.7 -6.4 14 14 A V H X S+ 0 0 99 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.722 111.4 52.7 -71.1 -21.3 -15.9 1.3 -8.1 15 15 A R H X S+ 0 0 175 -4,-1.0 4,-0.9 -5,-0.2 -1,-0.2 0.862 118.6 32.9 -81.3 -39.1 -17.0 0.1 -4.6 16 16 A C H X S+ 0 0 74 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.819 115.1 58.2 -85.4 -35.0 -17.7 3.6 -3.2 17 17 A A H X S+ 0 0 49 -4,-3.0 4,-1.3 2,-0.2 -3,-0.2 0.873 109.7 44.8 -62.4 -38.3 -18.9 5.1 -6.5 18 18 A F H X S+ 0 0 154 -4,-0.9 4,-1.7 -5,-0.2 -1,-0.2 0.871 118.5 42.2 -73.7 -38.4 -21.6 2.4 -6.8 19 19 A E H X S+ 0 0 131 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.768 110.7 57.9 -78.6 -27.1 -22.6 2.8 -3.1 20 20 A H H < S+ 0 0 139 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.857 113.8 37.6 -70.6 -36.3 -22.4 6.6 -3.3 21 21 A S H >X S+ 0 0 75 -4,-1.3 4,-2.0 -5,-0.2 3,-1.1 0.822 108.6 63.4 -83.7 -34.6 -24.9 6.7 -6.2 22 22 A R H 3< S+ 0 0 149 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.893 95.9 59.4 -56.6 -42.0 -27.1 4.0 -4.8 23 23 A R T 3< S+ 0 0 218 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.793 108.8 46.0 -58.0 -28.3 -27.9 6.0 -1.7 24 24 A F T <4 0 0 190 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.864 360.0 360.0 -82.3 -39.8 -29.3 8.7 -4.1 25 25 A T < 0 0 148 -4,-2.0 -3,-0.1 0, 0.0 -2,-0.0 0.667 360.0 360.0 -87.1 360.0 -31.3 6.2 -6.2