==== 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 2MD4 . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.BHUNIA,S.CHATTERJEE,A.GHOSH,J.JANA . 12 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 66.7 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 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 50.0 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 1 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 0 185 0, 0.0 4,-2.8 0, 0.0 3,-2.1 0.000 360.0 360.0 360.0-144.2 2.1 0.0 -1.2 2 2 A K H 3> + 0 0 141 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.842 360.0 54.2 -54.1 -35.0 5.6 -1.4 -1.8 3 3 A L H 34 S+ 0 0 71 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.641 113.6 42.9 -74.6 -14.3 6.1 -0.9 2.0 4 4 A L H <> S+ 0 0 85 -3,-2.1 4,-1.6 3,-0.1 -2,-0.2 0.770 118.2 41.5 -98.8 -35.1 3.0 -3.0 2.5 5 5 A S H X S+ 0 0 76 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.822 113.2 53.9 -81.4 -33.9 3.6 -5.7 -0.1 6 6 A K H X S+ 0 0 110 -4,-2.3 4,-0.5 -5,-0.3 -3,-0.2 0.899 118.1 35.1 -67.1 -41.6 7.3 -6.0 0.8 7 7 A A H 4 S+ 0 0 32 -4,-0.4 3,-0.4 -5,-0.3 -2,-0.2 0.847 121.3 47.2 -80.6 -36.8 6.7 -6.6 4.4 8 8 A Q H >X S+ 0 0 130 -4,-1.6 4,-2.7 1,-0.2 3,-2.7 0.795 97.6 72.2 -74.4 -29.3 3.5 -8.6 3.9 9 9 A E H 3< S+ 0 0 156 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.858 99.4 47.1 -53.6 -37.4 5.2 -10.7 1.2 10 10 A K T 3< S+ 0 0 144 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.251 116.0 47.5 -88.8 12.4 7.1 -12.4 4.0 11 11 A F T <4 0 0 155 -3,-2.7 -2,-0.2 0, 0.0 -1,-0.2 0.630 360.0 360.0-120.1 -32.8 3.9 -12.8 6.0 12 12 A G < 0 0 102 -4,-2.7 0, 0.0 0, 0.0 0, 0.0 -0.536 360.0 360.0 -77.4 360.0 1.5 -14.2 3.4