==== 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 2LQ1 . COMPND 2 MOLECULE: DE NOVO DESIGNED ANTIFREEZE PEPTIDE 3; . 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) . 2419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 44.0 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 . 10 40.0 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 1 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 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 T > 0 0 156 0, 0.0 4,-1.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -46.8 2.1 0.0 -1.2 2 2 A G T 4 + 0 0 61 1,-0.2 0, 0.0 2,-0.2 0, 0.0 0.735 360.0 29.4 -62.6 -21.7 -0.7 -1.3 -3.5 3 3 A N T 4 S+ 0 0 148 1,-0.1 3,-0.4 2,-0.1 4,-0.3 0.419 113.8 63.8-115.1 -5.3 -2.5 2.0 -2.9 4 4 A V T 4 S+ 0 0 104 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.557 97.7 57.0 -94.3 -11.4 0.5 4.2 -2.3 5 5 A G S < S+ 0 0 43 -4,-1.3 -1,-0.2 3,-0.1 -3,-0.1 -0.102 82.6 92.1-110.7 34.8 1.8 3.6 -5.9 6 6 A L S > S+ 0 0 96 -3,-0.4 4,-2.0 3,-0.2 5,-0.2 0.926 99.9 11.1 -88.4 -75.5 -1.3 4.9 -7.7 7 7 A S H > S+ 0 0 95 -4,-0.3 4,-1.9 2,-0.2 5,-0.3 0.973 138.0 41.1 -69.1 -56.8 -0.9 8.6 -8.4 8 8 A P H 4 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.527 123.6 43.7 -69.7 -4.9 2.8 8.9 -7.5 9 9 A G H > S+ 0 0 25 3,-0.1 4,-0.8 2,-0.1 -2,-0.2 0.664 109.5 52.1-111.1 -26.3 3.3 5.6 -9.3 10 10 A L H X S+ 0 0 116 -4,-2.0 4,-1.8 2,-0.2 -3,-0.2 0.883 114.8 41.4 -77.9 -41.0 1.3 6.1 -12.4 11 11 A S H < S+ 0 0 74 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.2 0.689 115.1 53.2 -79.0 -19.4 2.9 9.4 -13.4 12 12 A T H > S+ 0 0 97 -5,-0.3 4,-0.8 2,-0.1 -1,-0.2 0.700 113.6 41.7 -86.9 -22.2 6.3 8.0 -12.4 13 13 A A H X S+ 0 0 54 -4,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.798 112.0 52.2 -92.4 -35.3 5.9 4.9 -14.6 14 14 A L H < S+ 0 0 117 -4,-1.8 -2,-0.1 1,-0.2 4,-0.1 0.612 114.8 45.5 -76.1 -12.0 4.4 6.6 -17.6 15 15 A T H 4 S+ 0 0 91 -4,-0.3 4,-0.2 -5,-0.1 -1,-0.2 0.773 125.6 27.6 -98.6 -35.3 7.3 9.1 -17.6 16 16 A G H X S+ 0 0 8 -4,-0.8 4,-3.5 3,-0.2 6,-0.2 0.501 84.8 112.3-103.9 -7.5 10.1 6.7 -17.1 17 17 A F T < S- 0 0 122 -4,-1.8 -1,-0.1 1,-0.3 -3,-0.1 0.827 109.1 -0.7 -29.6 -54.4 8.5 3.7 -18.8 18 18 A T T > S+ 0 0 74 -3,-0.2 4,-0.8 -4,-0.1 -1,-0.3 0.516 131.3 66.3-115.9 -14.4 11.0 4.0 -21.5 19 19 A L H > S+ 0 0 99 -4,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.627 95.8 60.6 -82.5 -14.6 13.0 7.0 -20.2 20 20 A V H < S+ 0 0 92 -4,-3.5 4,-0.3 2,-0.2 3,-0.3 0.957 108.9 37.5 -75.7 -55.0 14.2 5.0 -17.3 21 21 A P H 4 S+ 0 0 88 0, 0.0 3,-0.2 0, 0.0 -2,-0.2 0.714 124.6 43.6 -69.8 -21.2 16.1 2.3 -19.2 22 22 A V H >< S+ 0 0 68 -4,-0.8 3,-1.6 -6,-0.2 -2,-0.2 0.546 87.9 88.7 -99.3 -11.7 17.2 4.9 -21.7 23 23 A E T 3< S+ 0 0 162 -4,-0.5 -1,-0.2 -3,-0.3 -3,-0.1 0.729 96.2 42.5 -58.1 -21.2 18.1 7.5 -19.0 24 24 A D T 3 0 0 153 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.464 360.0 360.0-102.5 -6.0 21.5 5.8 -19.0 25 25 A H < 0 0 196 -3,-1.6 -1,-0.2 0, 0.0 -2,-0.1 -0.301 360.0 360.0-112.2 360.0 21.8 5.5 -22.8