==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 22-APR-08 2K35 . COMPND 2 MOLECULE: HYDRAMACIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HYDRA; . AUTHOR S.JUNG,A.J.DINGLEY,M.STANISAK,C.GELHAUS,T.BOSCH,R.PODSCHUN, . 60 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 65.0 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 . 8 13.3 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 . 7 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.3 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 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 Q 0 0 35 0, 0.0 2,-1.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -48.3 4.0 -0.9 -4.8 2 2 A I - 0 0 94 28,-0.3 45,-0.0 1,-0.2 31,-0.0 -0.698 360.0 -10.3 -84.6 101.6 2.6 -3.2 -7.5 3 3 A V S S+ 0 0 80 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.953 84.9 143.9 73.6 92.0 -1.1 -3.6 -6.7 4 4 A D + 0 0 0 43,-0.8 2,-0.2 -3,-0.3 -1,-0.2 -0.929 9.8 156.8-158.6 129.2 -2.1 -2.1 -3.3 5 5 A a + 0 0 0 -2,-0.3 51,-0.2 43,-0.1 2,-0.2 -0.799 10.6 137.6-162.9 116.9 -5.3 -0.2 -2.3 6 6 A W B -A 55 0A 47 49,-3.5 49,-1.7 -2,-0.2 3,-0.1 -0.639 41.6-131.9-139.5-164.2 -6.9 0.3 1.1 7 7 A E S S+ 0 0 102 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.647 81.1 58.9-125.7 -47.8 -8.6 3.1 3.1 8 8 A T S >> S- 0 0 51 1,-0.1 4,-1.7 47,-0.1 3,-1.1 -0.696 78.5-125.7 -92.9 144.0 -7.1 3.2 6.6 9 9 A W H 3> S+ 0 0 102 -2,-0.3 4,-1.0 1,-0.3 5,-0.1 0.872 112.1 52.6 -51.6 -43.9 -3.4 3.8 7.2 10 10 A S H 3> S+ 0 0 42 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.763 106.3 56.0 -66.8 -24.5 -3.1 0.6 9.3 11 11 A R H X> S+ 0 0 103 -3,-1.1 4,-3.3 2,-0.2 3,-0.5 0.957 107.5 43.5 -74.2 -51.0 -4.6 -1.4 6.5 12 12 A b H 3< S+ 0 0 0 -4,-1.7 45,-0.2 1,-0.2 -1,-0.2 0.655 113.1 55.0 -70.4 -15.7 -2.2 -0.5 3.6 13 13 A T H 3< S+ 0 0 32 -4,-1.0 14,-2.5 -5,-0.3 15,-0.4 0.754 119.7 29.4 -87.5 -26.4 0.7 -1.0 6.0 14 14 A K H << S+ 0 0 110 -4,-0.9 12,-0.6 -3,-0.5 -2,-0.2 0.799 128.1 23.9-100.0 -38.2 -0.2 -4.5 7.0 15 15 A W < - 0 0 88 -4,-3.3 2,-0.3 -5,-0.2 -9,-0.1 -0.583 58.9-164.0-120.4-176.6 -2.0 -5.7 3.9 16 16 A S > + 0 0 0 1,-0.2 5,-0.7 -2,-0.2 -12,-0.2 -0.950 47.7 53.0-163.2 159.3 -2.2 -5.1 0.2 17 17 A Q T > 5S- 0 0 32 -2,-0.3 3,-2.3 3,-0.2 2,-0.4 0.595 87.8 -80.4 77.8 132.8 -4.5 -5.9 -2.7 18 18 A G T 3 5S+ 0 0 48 1,-0.3 -12,-0.1 2,-0.1 -1,-0.0 -0.477 122.0 11.5 -65.3 115.9 -8.3 -5.3 -2.8 19 19 A G T 3 5S- 0 0 68 -2,-0.4 -1,-0.3 2,-0.0 -2,-0.1 0.313 122.6 -89.4 97.8 -7.3 -9.9 -8.0 -0.9 20 20 A T T < 5 - 0 0 56 -3,-2.3 -3,-0.2 3,-0.0 -2,-0.1 0.932 55.1-176.0 66.3 98.5 -6.6 -9.2 0.5 21 21 A G < - 0 0 44 -5,-0.7 3,-0.1 2,-0.0 -4,-0.1 0.563 44.4 -82.8 -90.3-117.4 -4.9 -11.8 -1.8 22 22 A T S S+ 0 0 130 1,-0.1 2,-0.1 2,-0.1 3,-0.1 0.308 109.2 72.9-138.5 2.9 -1.7 -13.5 -0.9 23 23 A L + 0 0 82 -7,-0.1 -6,-0.1 1,-0.1 -1,-0.1 -0.412 60.5 106.7-120.2 55.4 0.9 -11.0 -2.0 24 24 A W + 0 0 93 -2,-0.1 6,-0.1 -3,-0.1 -1,-0.1 0.902 33.4 169.9 -91.4 -65.6 0.7 -8.4 0.7 25 25 A K > - 0 0 103 4,-0.1 4,-1.3 -9,-0.1 5,-0.3 0.656 63.3 -88.3 60.4 18.4 3.8 -8.9 2.8 26 26 A S H > - 0 0 50 -12,-0.6 4,-2.1 1,-0.2 -12,-0.3 0.174 54.1 -67.8 66.2 168.7 3.0 -5.6 4.5 27 27 A c H > S+ 0 0 8 -14,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.813 129.3 65.9 -60.8 -29.7 4.2 -2.1 3.3 28 28 A N H >> S+ 0 0 102 -15,-0.4 4,-1.3 2,-0.2 3,-1.2 0.984 112.4 26.3 -57.0 -67.1 7.8 -3.1 4.2 29 29 A D H 3X S+ 0 0 42 -4,-1.3 4,-1.3 1,-0.3 -1,-0.2 0.820 115.8 65.2 -69.7 -28.9 8.3 -5.9 1.6 30 30 A R H 3< S+ 0 0 14 -4,-2.1 -28,-0.3 -5,-0.3 -1,-0.3 0.662 111.4 37.3 -66.2 -15.7 5.7 -4.3 -0.7 31 31 A d H X<>S+ 0 0 0 -3,-1.2 5,-1.9 -4,-0.7 3,-1.1 0.607 105.8 66.2-106.4 -20.3 8.2 -1.5 -0.9 32 32 A K H ><5S+ 0 0 113 -4,-1.3 3,-1.2 1,-0.3 -2,-0.2 0.735 86.2 73.8 -72.1 -21.7 11.3 -3.7 -0.9 33 33 A E T 3<5S+ 0 0 75 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.735 104.9 37.0 -63.0 -22.8 10.1 -5.0 -4.3 34 34 A L T < 5S- 0 0 88 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.301 121.4-106.2-110.7 5.3 11.2 -1.6 -5.7 35 35 A G T < 5S+ 0 0 63 -3,-1.2 2,-0.2 1,-0.2 -3,-0.2 0.905 70.1 146.5 71.4 41.9 14.3 -1.3 -3.5 36 36 A R < - 0 0 117 -5,-1.9 -1,-0.2 -8,-0.2 -5,-0.1 -0.701 51.8-132.3-107.4 163.4 12.8 1.4 -1.3 37 37 A K S S- 0 0 175 -2,-0.2 2,-0.2 1,-0.2 -1,-0.1 0.948 76.4 -23.9 -79.5 -53.1 13.4 2.1 2.4 38 38 A R - 0 0 154 -7,-0.1 22,-3.8 20,-0.1 2,-0.3 -0.837 58.0-127.1-147.7-176.7 9.8 2.5 3.7 39 39 A G E -B 59 0A 7 20,-0.3 2,-0.4 -2,-0.2 20,-0.3 -1.000 7.3-158.7-146.1 143.1 6.3 3.4 2.6 40 40 A Q E -B 58 0A 55 18,-2.3 18,-3.2 -2,-0.3 2,-0.8 -0.983 31.1-113.8-123.9 130.7 3.6 5.8 3.7 41 41 A b E +B 57 0A 2 -2,-0.4 16,-0.3 16,-0.3 2,-0.3 -0.477 47.5 173.2 -65.1 103.4 -0.1 5.5 2.9 42 42 A E E -B 56 0A 70 14,-2.7 14,-2.3 -2,-0.8 2,-1.8 -0.751 43.8-100.9-111.6 160.5 -0.8 8.4 0.6 43 43 A E E +B 55 0A 131 -2,-0.3 12,-0.2 12,-0.2 11,-0.1 -0.573 62.1 146.3 -82.2 79.7 -3.9 9.4 -1.4 44 44 A K > + 0 0 90 -2,-1.8 3,-1.3 10,-0.6 10,-0.1 -0.837 23.4 177.2-121.0 94.2 -2.8 8.1 -4.8 45 45 A P G > + 0 0 71 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.549 68.0 89.6 -71.4 -5.3 -5.7 6.8 -6.9 46 46 A S G 3 S+ 0 0 110 1,-0.3 5,-0.0 8,-0.1 -3,-0.0 0.631 103.9 24.9 -66.4 -14.3 -3.3 6.2 -9.7 47 47 A R G < S+ 0 0 62 -3,-1.3 -43,-0.8 -43,-0.1 -1,-0.3 0.079 102.6 102.1-135.0 20.7 -2.6 2.8 -8.3 48 48 A a < - 0 0 6 -3,-1.2 -43,-0.1 1,-0.1 3,-0.1 -0.893 46.6-170.4-116.8 105.6 -5.9 2.3 -6.5 49 49 A P S S+ 0 0 96 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.707 90.0 61.2 -60.9 -19.9 -8.6 0.0 -8.1 50 50 A L >> + 0 0 75 1,-0.2 4,-2.5 -3,-0.1 3,-1.8 -0.771 66.0 174.7-109.8 81.6 -10.8 1.3 -5.3 51 51 A S T 34 S+ 0 0 85 -2,-0.7 -1,-0.2 1,-0.3 -5,-0.0 0.736 73.9 70.8 -60.2 -24.1 -10.9 5.1 -6.1 52 52 A K T 34 S+ 0 0 194 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.768 115.2 26.1 -64.3 -24.0 -13.4 5.6 -3.3 53 53 A K T <4 S+ 0 0 73 -3,-1.8 -2,-0.2 -5,-0.1 -1,-0.1 0.845 78.7 178.1 -99.9 -61.0 -10.6 4.8 -0.9 54 54 A A < + 0 0 11 -4,-2.5 -10,-0.6 1,-0.2 2,-0.5 0.759 30.3 136.9 60.5 31.2 -7.5 5.8 -2.9 55 55 A W E +AB 6 43A 68 -49,-1.7 -49,-3.5 -5,-0.3 2,-0.3 -0.934 20.2 155.5-112.4 121.8 -5.1 5.0 -0.1 56 56 A T E - B 0 42A 0 -14,-2.3 -14,-2.7 -2,-0.5 2,-0.7 -0.989 48.4 -99.8-143.7 150.7 -1.9 3.1 -0.9 57 57 A c E - B 0 41A 2 -2,-0.3 2,-0.7 -16,-0.3 -16,-0.3 -0.596 35.7-151.3 -74.3 111.1 1.6 2.8 0.6 58 58 A I E - B 0 40A 31 -18,-3.2 -18,-2.3 -2,-0.7 2,-0.2 -0.773 16.3-129.0 -87.4 117.1 3.9 5.1 -1.3 59 59 A d E B 0 39A 6 -2,-0.7 -20,-0.3 -20,-0.3 -31,-0.0 -0.473 360.0 360.0 -70.3 130.3 7.4 3.8 -1.3 60 60 A Y 0 0 125 -22,-3.8 -21,-0.2 -2,-0.2 -1,-0.2 0.689 360.0 360.0-119.9 360.0 10.1 6.2 -0.2