==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN, DE NOVO PROTEIN 30-AUG-12 2LXO . COMPND 2 MOLECULE: CHIMERIC PEPTIDE; . SOURCE 2 SYNTHETIC: YES . AUTHOR B.SPUDY,F.D.SOENNICHSEN,G.H.WAETZIG,J.GROTZINGER,S.JUNG . 44 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 12 27.3 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 . 2 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.3 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 . 5 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.5 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+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 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 . 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 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 G 0 0 129 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.9 2.1 0.0 -1.2 2 2 A I - 0 0 159 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.944 360.0-149.9-112.9 118.8 1.1 -1.0 -4.8 3 3 A I - 0 0 129 -2,-0.6 2,-0.0 2,-0.0 0, 0.0 -0.108 7.6-164.6 -74.9 178.3 0.7 -4.7 -5.4 4 4 A N + 0 0 116 2,-0.1 2,-0.2 8,-0.0 -2,-0.0 -0.403 23.6 154.3-169.4 80.5 1.3 -6.4 -8.8 5 5 A T - 0 0 74 -2,-0.0 6,-0.1 7,-0.0 -2,-0.0 -0.433 29.2-162.9-110.3 55.1 -0.1 -9.9 -9.3 6 6 A L + 0 0 64 -2,-0.2 5,-0.2 1,-0.1 -2,-0.1 -0.059 21.7 161.4 -39.4 131.3 -0.4 -9.8 -13.0 7 7 A Q - 0 0 108 5,-0.1 25,-0.2 24,-0.1 -1,-0.1 0.674 53.5 -90.6-120.5 -60.3 -2.7 -12.6 -14.1 8 8 A K S > S+ 0 0 107 23,-0.3 3,-0.9 4,-0.1 22,-0.1 -0.278 111.8 62.4 179.1 -80.4 -4.0 -12.0 -17.6 9 9 A Y T 3 S+ 0 0 142 1,-0.3 25,-0.7 24,-0.2 26,-0.2 0.741 139.0 6.1 -39.8 -27.3 -7.2 -10.1 -18.0 10 10 A Y T 3 S+ 0 0 57 23,-0.1 -1,-0.3 22,-0.1 23,-0.1 0.169 88.1 163.5-142.8 12.9 -5.2 -7.3 -16.4 11 11 A a < + 0 0 0 -3,-0.9 -5,-0.1 21,-0.2 19,-0.1 -0.139 67.2 5.8 -41.2 114.4 -1.7 -8.9 -16.2 12 12 A R - 0 0 119 1,-0.1 2,-0.3 18,-0.1 5,-0.1 0.406 69.7-139.0 79.6 141.6 0.5 -5.9 -15.6 13 13 A V + 0 0 81 3,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.745 58.7 86.1-138.3 86.6 -0.7 -2.4 -15.0 14 14 A R S S- 0 0 217 -2,-0.3 3,-0.3 0, 0.0 0, 0.0 -0.691 96.9 -28.3-153.1-155.5 1.3 0.2 -16.7 15 15 A G S S- 0 0 86 1,-0.2 2,-0.2 -2,-0.2 3,-0.1 0.747 136.7 -3.7 -41.5 -27.5 1.7 2.1 -20.0 16 16 A A - 0 0 41 1,-0.1 -1,-0.2 4,-0.0 -3,-0.1 -0.750 54.9-155.2-172.5 120.2 0.2 -1.1 -21.4 17 17 A I S S+ 0 0 47 -3,-0.3 2,-0.3 -2,-0.2 -2,-0.1 0.829 91.8 22.3 -66.4 -32.8 -0.8 -4.4 -19.8 18 18 A b S S- 0 0 10 22,-0.1 22,-0.2 1,-0.1 3,-0.1 -0.875 111.2 -63.3-131.7 163.3 -0.3 -6.1 -23.1 19 19 A H - 0 0 38 20,-2.1 2,-0.2 -2,-0.3 -1,-0.1 -0.127 61.9-109.4 -46.3 137.3 1.6 -5.3 -26.3 20 20 A P S S+ 0 0 79 0, 0.0 2,-2.3 0, 0.0 -1,-0.1 -0.487 94.0 0.5 -75.0 141.8 0.3 -2.1 -27.9 21 21 A V S S- 0 0 149 -2,-0.2 2,-0.2 -3,-0.1 -2,-0.1 -0.324 136.0 -29.6 79.4 -55.7 -1.6 -2.4 -31.2 22 22 A F - 0 0 106 -2,-2.3 16,-0.1 17,-0.1 15,-0.1 -0.848 68.1 -91.6-164.7-161.6 -1.2 -6.2 -31.0 23 23 A C - 0 0 18 14,-0.5 17,-0.1 -2,-0.2 -2,-0.0 -0.995 27.9-149.9-139.7 129.9 0.9 -9.1 -29.8 24 24 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.310 27.8 -96.7 -75.0-152.1 3.7 -10.9 -31.8 25 25 A R S S+ 0 0 214 2,-0.1 16,-0.0 1,-0.1 0, 0.0 -0.936 93.7 24.4-134.6 156.5 4.7 -14.5 -31.4 26 26 A R S S+ 0 0 227 -2,-0.3 -1,-0.1 17,-0.1 0, 0.0 0.252 88.2 121.0 75.7 -14.3 7.4 -16.3 -29.5 27 27 A Y S S- 0 0 44 1,-0.1 14,-0.1 17,-0.0 -2,-0.1 0.903 81.8 -93.5 -41.5 -95.8 7.4 -13.4 -27.2 28 28 A K - 0 0 114 12,-0.1 -1,-0.1 16,-0.0 -3,-0.0 -0.002 31.6-131.0 167.0 71.8 6.6 -14.8 -23.8 29 29 A Q + 0 0 111 1,-0.2 12,-0.2 12,-0.1 3,-0.1 -0.019 33.0 167.5 -36.6 128.1 2.9 -14.8 -22.8 30 30 A I - 0 0 54 10,-1.5 -1,-0.2 1,-0.2 11,-0.1 0.251 69.8 -26.0-129.4 4.1 2.7 -13.4 -19.3 31 31 A G - 0 0 0 9,-0.3 9,-2.0 -20,-0.1 2,-0.3 -0.125 60.7-126.4 143.8 117.7 -1.1 -12.9 -19.2 32 32 A T B -A 39 0A 67 7,-0.3 2,-0.3 -25,-0.2 7,-0.3 -0.663 23.9-147.7 -85.8 136.3 -3.7 -12.3 -21.9 33 33 A b - 0 0 9 5,-2.0 5,-0.4 -2,-0.3 4,-0.3 -0.673 34.7 -96.5-101.2 157.5 -6.0 -9.3 -21.6 34 34 A G S S+ 0 0 73 -25,-0.7 -25,-0.1 -2,-0.3 -1,-0.1 0.831 95.1 108.5 -35.8 -46.7 -9.6 -9.1 -22.7 35 35 A L S > S- 0 0 109 -26,-0.2 3,-1.9 1,-0.2 2,-1.4 -0.093 82.1-121.9 -39.6 120.9 -8.2 -7.5 -25.9 36 36 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.581 100.5 11.1 -75.0 92.3 -8.7 -10.1 -28.6 37 37 A G T 3 S+ 0 0 53 -2,-1.4 2,-0.5 -4,-0.3 -14,-0.5 0.418 105.1 107.6 117.6 6.7 -5.1 -10.5 -29.8 38 38 A T < + 0 0 13 -3,-1.9 -5,-2.0 -5,-0.4 2,-0.3 -0.959 38.2 153.7-121.3 114.5 -3.4 -8.6 -27.0 39 39 A K B -A 32 0A 23 -2,-0.5 -20,-2.1 -7,-0.3 2,-1.3 -0.811 55.9 -81.3-131.4 171.3 -1.5 -10.5 -24.4 40 40 A a + 0 0 4 -9,-2.0 -10,-1.5 -2,-0.3 -9,-0.3 -0.640 67.5 153.2 -78.3 96.4 1.4 -9.8 -22.0 41 41 A C - 0 0 12 -2,-1.3 2,-0.4 -12,-0.2 -12,-0.1 -0.910 30.9-158.6-126.4 153.6 4.4 -10.3 -24.4 42 42 A K - 0 0 110 -2,-0.3 -2,-0.0 -23,-0.1 -19,-0.0 -0.948 26.8-117.0-137.8 113.8 7.9 -8.8 -24.3 43 43 A K 0 0 148 -2,-0.4 -17,-0.1 1,-0.0 -16,-0.0 0.045 360.0 360.0 -42.0 155.5 10.0 -8.7 -27.4 44 44 A P 0 0 159 0, 0.0 -17,-0.0 0, 0.0 -16,-0.0 0.391 360.0 360.0 -75.0 360.0 13.2 -10.7 -27.3