==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 20-DEC-11 2LN8 . COMPND 2 MOLECULE: THEROMACIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HIRUDO MEDICINALIS; . AUTHOR S.JUNG,F.D.SOENNICHSEN,C.-W.HUNG,A.THOLEY,C.BOIDIN-WICHLACZ, . 75 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4540.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 38 50.7 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 . 5 6.7 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 . 11 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.7 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 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 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 ANTIPARALLEL 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 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 34 0, 0.0 46,-1.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 49.2 1.7 -1.0 -1.2 2 2 A a > + 0 0 0 44,-0.2 4,-0.6 1,-0.1 3,-0.3 -0.749 360.0 172.3-118.4 86.9 2.9 -2.7 -4.4 3 3 A F H > + 0 0 40 -2,-0.5 4,-1.8 44,-0.5 10,-0.1 0.666 45.7 84.7 -74.6 -32.2 1.6 -6.2 -3.9 4 4 A E H 4 S+ 0 0 0 1,-0.2 11,-0.2 2,-0.2 -1,-0.2 0.842 106.3 27.0 -51.6 -48.6 2.0 -8.5 -7.0 5 5 A D H >4 S+ 0 0 0 -3,-0.3 3,-1.9 1,-0.2 4,-0.4 0.838 116.4 62.5 -84.5 -30.9 5.7 -9.7 -6.5 6 6 A W H >< S+ 0 0 78 -4,-0.6 3,-0.6 1,-0.3 4,-0.4 0.817 100.3 57.7 -55.9 -27.2 5.2 -9.3 -2.8 7 7 A S T 3< S+ 0 0 10 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.572 77.8 91.5 -79.7 -15.1 2.5 -12.0 -3.4 8 8 A R T < S+ 0 0 59 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.840 111.7 12.9 -54.8 -33.6 5.0 -14.5 -4.9 9 9 A b S < S+ 0 0 58 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.376 121.2 76.1-119.8 0.9 5.5 -15.9 -1.4 10 10 A S S S- 0 0 29 -4,-0.4 2,-1.3 -5,-0.2 3,-0.4 -0.894 75.3-145.6-116.2 98.2 2.6 -14.2 0.2 11 11 A P + 0 0 128 0, 0.0 -3,-0.1 0, 0.0 3,-0.1 -0.510 69.9 85.9 -68.1 91.5 -0.7 -15.9 -0.7 12 12 A S S S+ 0 0 90 -2,-1.3 2,-1.3 -5,-0.2 -5,-0.0 0.112 80.4 40.3-145.4 -76.6 -3.1 -13.0 -0.9 13 13 A T - 0 0 46 -3,-0.4 2,-1.3 -10,-0.1 -6,-0.1 -0.666 68.8-162.7 -89.9 91.0 -3.3 -11.1 -4.1 14 14 A A + 0 0 95 -2,-1.3 2,-0.3 -3,-0.1 -10,-0.1 -0.635 39.0 127.9 -75.3 94.4 -3.1 -13.7 -6.8 15 15 A S + 0 0 33 -2,-1.3 2,-0.3 -11,-0.2 -8,-0.1 -0.983 20.5 153.5-148.7 151.5 -2.2 -11.7 -9.8 16 16 A A + 0 0 40 -2,-0.3 2,-0.3 6,-0.0 5,-0.1 -0.865 7.4 171.6-173.7 144.3 0.4 -11.8 -12.6 17 17 A T > - 0 0 59 -2,-0.3 3,-2.3 0, 0.0 2,-0.8 -0.953 58.3 -24.2-160.4 142.7 0.6 -10.5 -16.2 18 18 A G T 3 S+ 0 0 79 1,-0.3 0, 0.0 -2,-0.3 0, 0.0 -0.301 140.9 29.4 61.5 -95.3 3.3 -10.2 -19.0 19 19 A V T > S- 0 0 77 -2,-0.8 3,-0.6 1,-0.1 -1,-0.3 0.709 101.3-143.8 -67.3 -20.9 6.6 -10.0 -17.0 20 20 A L T < - 0 0 82 -3,-2.3 -2,-0.1 1,-0.2 -1,-0.1 0.105 27.9-109.6 81.2 -13.7 4.5 -12.2 -14.5 21 21 A W T 3 S+ 0 0 16 -4,-0.2 -1,-0.2 -5,-0.1 3,-0.2 0.988 71.1 146.8 47.9 61.8 6.2 -10.4 -11.5 22 22 A R < > + 0 0 41 -3,-0.6 5,-1.9 1,-0.1 6,-0.2 0.267 26.7 118.5-103.1 5.9 8.1 -13.6 -10.8 23 23 A S T 5 + 0 0 18 31,-0.2 5,-0.2 3,-0.2 -1,-0.1 0.673 66.6 47.2 -51.4 -35.7 11.0 -11.5 -9.6 24 24 A c T >5S- 0 0 0 -3,-0.2 4,-3.3 3,-0.2 5,-0.3 0.703 121.5 -10.1 -84.6-115.0 11.0 -12.8 -6.1 25 25 A D H >5S+ 0 0 29 -20,-0.3 4,-1.7 1,-0.2 5,-0.2 0.850 132.4 53.7 -59.6 -37.0 10.8 -16.3 -4.7 26 26 A S H >5S+ 0 0 47 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.935 116.8 36.8 -62.5 -47.0 10.0 -17.9 -8.0 27 27 A Y H >XS+ 0 0 44 -5,-1.9 4,-2.5 -3,-0.3 5,-0.6 0.940 116.8 50.0 -74.1 -49.0 13.0 -16.3 -9.7 28 28 A d H <5S+ 0 0 0 -4,-3.3 6,-3.4 -5,-0.2 -1,-0.2 0.817 108.0 58.7 -59.8 -25.0 15.5 -16.6 -6.8 29 29 A K H <5S+ 0 0 80 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.940 119.4 21.0 -74.3 -51.9 14.6 -20.3 -6.4 30 30 A V H <5S+ 0 0 46 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.803 128.6 43.2 -90.6 -33.5 15.4 -21.5 -9.8 31 31 A e T <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.986 130.1 18.6 -83.6 -60.1 17.8 -18.9 -11.1 32 32 A F S - 0 0 33 -2,-0.3 3,-1.7 -40,-0.2 11,-0.0 -0.635 38.0-160.3 -64.4 106.8 8.5 -1.0 -2.5 43 43 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.679 83.7 69.6 -70.9 -16.4 6.9 0.9 0.5 44 44 A S T 3 S+ 0 0 111 -42,-0.0 2,-0.3 -3,-0.0 -2,-0.1 0.645 100.7 54.9 -74.4 -15.4 7.4 4.2 -1.2 45 45 A L < - 0 0 81 -3,-1.7 2,-0.4 2,-0.1 -43,-0.1 -0.885 58.4-165.8-122.0 149.9 4.7 3.3 -3.7 46 46 A N + 0 0 133 -2,-0.3 -44,-0.2 -44,-0.1 -2,-0.0 -0.884 25.7 168.5-132.0 95.8 1.2 2.1 -3.5 47 47 A a - 0 0 21 -46,-1.1 2,-1.1 -2,-0.4 -44,-0.5 -0.953 31.4-138.8-120.3 128.4 0.3 0.8 -6.8 48 48 A P - 0 0 114 0, 0.0 -46,-0.1 0, 0.0 -2,-0.0 -0.676 65.7 -44.4 -94.2 87.4 -2.9 -1.2 -7.6 49 49 A H S S+ 0 0 83 -2,-1.1 -34,-0.0 2,-0.0 -46,-0.0 0.437 116.1 57.9 70.6 153.2 -1.9 -4.1 -10.1 50 50 A R S S- 0 0 157 1,-0.2 -29,-0.0 -3,-0.1 -32,-0.0 0.930 72.5-174.1 57.7 50.1 0.3 -4.1 -13.1 51 51 A L > - 0 0 0 1,-0.2 3,-1.8 -4,-0.1 -1,-0.2 -0.594 16.5-174.3 -80.9 90.8 3.0 -2.8 -10.9 52 52 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.559 85.7 49.8 -73.5 -2.6 5.9 -2.1 -13.2 53 53 A N T 3 S+ 0 0 44 1,-0.1 2,-2.9 -11,-0.0 -2,-0.1 0.689 81.7 102.5 -97.5 -25.0 8.0 -1.3 -10.3 54 54 A N < + 0 0 0 -3,-1.8 2,-0.3 1,-0.1 -31,-0.2 -0.305 41.6 109.6 -77.0 62.6 7.2 -4.4 -8.4 55 55 A K + 0 0 137 -2,-2.9 2,-0.3 -32,-0.1 -1,-0.1 -0.850 42.7 127.6-127.4 88.4 10.3 -6.3 -9.0 56 56 A Q + 0 0 20 -2,-0.3 -16,-0.7 -16,-0.2 2,-0.3 -0.875 20.8 129.7-154.9 121.0 12.0 -6.3 -5.6 57 57 A c E -A 39 0A 29 -2,-0.3 2,-0.5 -18,-0.2 -18,-0.2 -0.986 43.9-127.6-167.3 150.1 13.3 -9.2 -3.7 58 58 A R E -A 38 0A 137 -20,-0.7 -20,-1.7 -2,-0.3 2,-0.9 -0.950 21.4-139.8-104.5 137.1 16.2 -10.6 -1.9 59 59 A d E > -A 37 0A 41 -2,-0.5 3,-1.0 -22,-0.2 2,-0.3 -0.842 22.6-148.1 -98.5 104.7 17.4 -14.0 -2.8 60 60 A I E 3 S-A 36 0A 54 -24,-2.9 -25,-3.8 -2,-0.9 -24,-1.0 -0.615 74.6 -2.7 -81.2 131.6 18.3 -15.7 0.4 61 61 A N T 3 S- 0 0 107 -2,-0.3 -1,-0.3 -27,-0.2 2,-0.3 0.851 83.8-168.9 59.0 35.8 21.1 -18.1 0.4 62 62 A A < - 0 0 46 -3,-1.0 -28,-0.2 -28,-0.2 -29,-0.2 -0.458 9.8-174.3 -61.2 123.8 21.5 -17.7 -3.3 63 63 A R + 0 0 152 -31,-1.5 2,-0.3 -2,-0.3 -30,-0.2 0.606 59.4 36.3 -99.7 -19.4 23.8 -20.4 -4.3 64 64 A T S S- 0 0 56 -32,-2.8 3,-0.1 1,-0.1 2,-0.1 -0.819 75.9-110.5-130.9 173.6 24.2 -19.5 -7.9 65 65 A A - 0 0 72 -2,-0.3 2,-0.1 1,-0.2 -2,-0.1 -0.291 67.9 -48.3 -91.1 173.6 24.6 -16.7 -10.3 66 66 A K S S- 0 0 89 -2,-0.1 2,-0.3 -34,-0.1 -1,-0.2 -0.325 71.9-167.5 -45.9 120.9 22.0 -15.5 -12.9 67 67 A D - 0 0 23 -3,-0.1 3,-0.1 -2,-0.1 -35,-0.1 -0.846 28.2-159.8-125.8 152.2 21.2 -18.7 -14.6 68 68 A N + 0 0 90 -2,-0.3 5,-0.1 1,-0.1 -37,-0.1 0.307 62.8 102.1-114.8 4.7 19.4 -19.5 -17.9 69 69 A R S S+ 0 0 190 -39,-0.1 -1,-0.1 -38,-0.1 -38,-0.1 0.634 76.3 62.0 -73.6 -12.5 18.3 -23.2 -17.5 70 70 A N S > S- 0 0 48 -3,-0.1 3,-2.2 1,-0.1 4,-0.2 -0.947 76.2-137.7-118.9 132.5 14.7 -22.4 -16.6 71 71 A P G > S+ 0 0 80 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.816 109.5 59.2 -50.9 -31.8 12.2 -20.5 -18.9 72 72 A T G 3 S+ 0 0 54 1,-0.3 -41,-0.1 -46,-0.1 -50,-0.1 0.623 98.4 59.5 -77.0 -9.6 11.2 -18.6 -15.8 73 73 A e G < S+ 0 0 2 -3,-2.2 2,-1.7 2,-0.1 -1,-0.3 0.403 72.6 113.6 -91.8 -1.8 14.8 -17.4 -15.5 74 74 A W < 0 0 160 -3,-1.4 -6,-0.1 -4,-0.2 -1,-0.0 -0.632 360.0 360.0 -80.3 89.8 14.5 -15.8 -18.9 75 75 A A 0 0 87 -2,-1.7 -2,-0.1 -52,-0.0 -1,-0.1 -0.808 360.0 360.0 160.2 360.0 14.8 -12.2 -17.7