==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 29-AUG-13 2MD1 . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.BHUNIA,S.CHATTERJEE,A.GHOSH,J.JANA . 17 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2085.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 47.1 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 . 1 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 29.4 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 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 1 A W >> 0 0 189 0, 0.0 4,-3.4 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 108.1 2.1 0.0 -1.2 2 2 A K H 3> + 0 0 171 1,-0.3 4,-0.7 2,-0.2 5,-0.1 0.762 360.0 57.1 -51.0 -25.2 3.3 3.4 -2.4 3 3 A L H 3> S+ 0 0 79 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.884 114.1 34.8 -74.6 -40.3 2.4 2.1 -5.9 4 4 A L H <> S+ 0 0 84 -3,-1.0 4,-1.4 2,-0.2 5,-0.3 0.778 115.9 55.8 -83.6 -29.4 -1.2 1.4 -5.0 5 5 A S H < S+ 0 0 77 -4,-3.4 4,-0.3 1,-0.2 -2,-0.2 0.684 115.4 39.3 -75.7 -18.4 -1.5 4.4 -2.6 6 6 A K H < S+ 0 0 139 -4,-0.7 -1,-0.2 -5,-0.4 -2,-0.2 0.616 120.5 43.5-103.0 -19.3 -0.4 6.6 -5.5 7 7 A A H < S+ 0 0 39 -4,-0.8 -2,-0.2 2,-0.1 -3,-0.2 0.555 124.2 35.1-100.4 -12.9 -2.4 4.9 -8.2 8 8 A Q S >< S+ 0 0 86 -4,-1.4 3,-2.4 2,-0.1 -3,-0.2 0.626 98.5 77.0-111.3 -24.5 -5.5 4.5 -6.1 9 9 A E T 3 S+ 0 0 163 -5,-0.3 3,-0.2 1,-0.3 -3,-0.1 0.788 91.5 58.9 -57.5 -27.7 -5.3 7.8 -4.2 10 10 A K T 3 S+ 0 0 146 1,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.256 91.4 77.2 -85.9 12.8 -6.6 9.5 -7.3 11 11 A F <> + 0 0 71 -3,-2.4 4,-0.5 1,-0.1 -1,-0.2 -0.489 45.0 136.2-120.8 60.9 -9.7 7.3 -7.2 12 12 A G T 4 S+ 0 0 68 -3,-0.2 -1,-0.1 1,-0.2 -2,-0.1 0.427 78.9 45.1 -85.7 1.5 -11.8 8.9 -4.5 13 13 A K T 4 S+ 0 0 158 -3,-0.1 3,-0.4 3,-0.0 -1,-0.2 0.572 100.9 64.0-115.1 -20.2 -14.9 8.5 -6.6 14 14 A N T 4 S+ 0 0 85 1,-0.2 2,-0.5 2,-0.1 -2,-0.1 0.683 94.7 64.8 -78.0 -18.6 -14.4 5.0 -7.8 15 15 A K < + 0 0 150 -4,-0.5 -1,-0.2 1,-0.2 -4,-0.0 -0.413 66.8 109.1-101.8 55.8 -14.7 3.7 -4.2 16 16 A S 0 0 99 -2,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 -0.097 360.0 360.0-119.7 32.8 -18.4 4.8 -3.7 17 17 A R 0 0 281 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.353 360.0 360.0 -97.5 360.0 -19.9 1.3 -3.6