==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 26-JUL-06 2IZQ . COMPND 2 MOLECULE: GRAMICIDIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; . AUTHOR A.OLCZAK,M.L.GLOWKA,M.SZCZESIO,J.BOJARSKA,W.L.DUAX,B.M.BURKH . 60 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 80.0 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 . 44 73.3 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 . 2 3.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 3.3 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 . 0 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 X 0 0 155 0, 0.0 2,-0.3 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 126.5 21.7 19.6 21.3 2 2 A G E -A 30 0A 13 28,-2.6 28,-2.6 2,-0.0 2,-0.2 -0.994 360.0 -9.8 151.9-149.5 19.3 16.9 22.3 3 3 A A E S+A 29 0A 60 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.600 88.3 53.1 -89.2 147.4 19.3 13.6 24.1 4 4 A X E S-A 28 0A 56 24,-2.0 24,-2.6 -2,-0.2 2,-0.3 -0.985 91.1 -17.1 137.5-145.7 22.3 11.5 25.1 5 5 A A E S+A 27 0A 43 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.748 87.5 64.4 -94.5 148.9 25.4 12.3 27.2 6 6 A X E S-A 26 0A 81 20,-2.3 20,-2.2 -2,-0.3 2,-0.4 -0.997 85.5 -25.4 147.9-138.5 26.8 15.7 28.0 7 7 A V E S+A 25 0A 35 24,-2.6 24,-3.0 -2,-0.3 2,-0.3 -0.820 88.5 55.0-114.8 140.4 25.7 18.7 30.0 8 8 A X E S-AB 24 30A 42 16,-2.1 16,-2.4 -2,-0.4 2,-0.3 -0.998 87.5 -1.7 145.9-144.6 22.1 19.7 30.9 9 9 A W E S+AB 23 29A 136 20,-2.3 20,-1.8 -2,-0.3 2,-0.4 -0.619 91.7 42.8 -86.3 138.0 19.1 18.1 32.5 10 10 A X E S-AB 22 28A 67 12,-2.9 12,-2.1 -2,-0.3 2,-0.4 -0.991 84.1 -7.0 140.1-140.7 19.1 14.5 33.7 11 11 A W E S+AB 21 27A 54 16,-2.7 16,-2.8 -2,-0.4 2,-0.3 -0.803 83.7 46.4-108.7 140.6 21.1 12.0 35.6 12 12 A X E S-AB 20 26A 7 8,-2.4 8,-2.1 -2,-0.4 2,-0.4 -0.990 89.5 -13.0 135.8-142.7 24.6 12.1 36.9 13 13 A W E S+AB 19 25A 136 12,-1.7 12,-2.8 -2,-0.3 2,-0.3 -0.759 88.0 59.6-108.3 137.8 26.7 14.6 38.8 14 14 A X E AB 18 24A 52 4,-2.8 4,-2.4 -2,-0.4 10,-0.2 -0.942 360.0 360.0 156.1-134.4 25.9 18.2 39.5 15 15 A W 0 0 161 8,-2.1 8,-2.6 -2,-0.3 5,-0.1 -0.702 360.0 360.0-115.5 360.0 23.1 20.1 41.2 16 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 17 1 B X 0 0 162 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 124.8 25.7 18.8 44.9 18 2 B G E -A 14 0A 22 -4,-2.4 -4,-2.8 -6,-0.1 2,-0.4 -0.947 360.0 -20.3 155.8-141.2 26.5 15.2 44.0 19 3 B A E S+A 13 0A 44 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.874 85.1 56.0-113.0 140.5 24.9 12.4 42.1 20 4 B X E S-A 12 0A 69 -8,-2.1 -8,-2.4 -2,-0.4 2,-0.4 -0.848 88.0 -17.5 147.8-137.5 21.3 11.8 41.0 21 5 B A E S+A 11 0A 49 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.930 89.8 63.0-102.6 147.9 18.8 13.8 39.1 22 6 B X E S-A 10 0A 73 -12,-2.1 -12,-2.9 -2,-0.4 2,-0.3 -0.914 90.2 -26.3 149.2-119.7 18.8 17.5 38.2 23 7 B V E S+A 9 0A 38 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.4 -0.965 84.6 61.3-126.1 154.8 21.4 19.3 36.1 24 8 B X E S-AB 8 14A 20 -16,-2.4 -16,-2.1 -2,-0.3 2,-0.4 -0.996 84.4 -7.5 139.1-139.7 25.1 18.7 35.3 25 9 B W E S+AB 7 13A 138 -12,-2.8 -12,-1.7 -2,-0.4 2,-0.3 -0.816 93.4 44.8-101.3 131.9 27.1 16.0 33.6 26 10 B X E S-AB 6 12A 48 -20,-2.2 -20,-2.3 -2,-0.4 2,-0.4 -0.886 88.3 -5.1 146.4-134.6 25.7 12.7 32.5 27 11 B W E S+AB 5 11A 7 -16,-2.8 -16,-2.7 -2,-0.3 2,-0.3 -0.961 86.0 49.3-111.9 130.6 22.6 11.4 30.7 28 12 B X E S-AB 4 10A 65 -24,-2.6 -24,-2.0 -2,-0.4 2,-0.5 -0.993 89.0 -15.1 154.6-129.5 19.5 13.2 29.5 29 13 B W E S+AB 3 9A 130 -20,-1.8 -20,-2.3 -2,-0.3 2,-0.3 -0.858 88.1 57.3-119.6 127.6 18.8 16.4 27.5 30 14 B X E AB 2 8A 66 -28,-2.6 -28,-2.6 -2,-0.5 -22,-0.2 -0.905 360.0 360.0 161.8-129.6 21.2 19.2 26.7 31 15 B W 0 0 181 -24,-3.0 -24,-2.6 -2,-0.3 -27,-0.0 -0.902 360.0 360.0-119.6 360.0 24.6 19.6 25.0 32 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 33 1 C X 0 0 152 0, 0.0 2,-0.3 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 121.2 23.7 -4.1 19.7 34 2 C G E -C 62 0B 14 28,-2.9 28,-1.9 2,-0.1 2,-0.3 -0.998 360.0 -5.9 152.4-147.8 26.2 -1.4 20.7 35 3 C A E S+C 61 0B 63 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.608 88.0 44.7 -91.0 145.3 26.3 1.9 22.5 36 4 C X E S-C 60 0B 69 24,-2.4 24,-2.1 -2,-0.3 2,-0.3 -0.908 91.2 -11.3 134.8-145.3 23.4 3.9 23.9 37 5 C A E S+C 59 0B 52 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.665 86.2 63.2 -93.2 141.5 20.3 3.2 25.9 38 6 C X E S-C 58 0B 63 20,-1.9 20,-2.6 -2,-0.3 2,-0.4 -0.981 85.3 -19.0 151.4-148.8 18.9 -0.3 26.6 39 7 C V E S+C 57 0B 46 24,-2.6 24,-2.5 -2,-0.3 2,-0.3 -0.759 94.4 51.1 -98.3 129.1 19.8 -3.5 28.4 40 8 C X E S-CD 56 62B 35 16,-2.5 16,-2.5 -2,-0.4 2,-0.3 -0.976 91.6 -9.2 153.8-133.1 23.4 -4.3 29.3 41 9 C W E S+CD 55 61B 135 20,-2.0 20,-2.0 -2,-0.3 2,-0.4 -0.721 84.6 54.6-101.6 144.9 26.1 -2.5 31.1 42 10 C X E S-CD 54 60B 62 12,-2.3 12,-2.0 -2,-0.3 2,-0.4 -0.954 83.2 -18.0 143.5-151.8 26.3 1.1 32.2 43 11 C W E S+CD 53 59B 63 16,-2.3 16,-2.3 -2,-0.4 2,-0.3 -0.767 89.4 57.6 -94.7 133.3 24.5 3.8 34.2 44 12 C X E S-CD 52 58B 3 8,-2.9 8,-1.9 -2,-0.4 2,-0.5 -0.982 88.7 -15.4 152.6-140.0 20.9 3.4 35.2 45 13 C W E S+CD 51 57B 100 12,-2.0 12,-2.6 -2,-0.3 2,-0.3 -0.887 86.2 57.9-110.5 129.1 18.7 0.9 37.1 46 14 C X E CD 50 56B 44 4,-2.7 4,-2.5 -2,-0.5 10,-0.2 -0.980 360.0 360.0 158.4-145.6 19.7 -2.6 38.0 47 15 C W 0 0 159 8,-2.2 8,-2.6 -2,-0.3 5,-0.0 -0.761 360.0 360.0-102.5 360.0 22.3 -4.6 39.9 48 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 1 D X 0 0 173 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 118.8 19.7 -3.1 43.5 50 2 D G E -C 46 0B 26 -4,-2.5 -4,-2.7 -6,-0.0 2,-0.2 -0.986 360.0 -9.2 151.8-144.7 18.7 0.4 42.3 51 3 D A E S+C 45 0B 47 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.602 86.4 62.9 -92.9 152.3 20.4 3.3 40.6 52 4 D X E S-C 44 0B 61 -8,-1.9 -8,-2.9 -2,-0.2 2,-0.3 -0.998 89.6 -34.4 143.4-129.9 24.1 3.7 39.7 53 5 D A E S+C 43 0B 42 -2,-0.4 2,-0.3 -10,-0.3 -10,-0.2 -0.855 84.5 74.3-123.8 153.8 26.3 1.6 37.5 54 6 D X E S-C 42 0B 86 -12,-2.0 -12,-2.3 -2,-0.3 2,-0.4 -0.984 82.5 -22.0 150.3-135.1 26.3 -2.1 36.8 55 7 D V E S+C 41 0B 46 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.4 -0.909 91.7 47.4-116.3 140.8 24.0 -4.3 34.8 56 8 D X E S+CD 40 46B 31 -16,-2.5 -16,-2.5 -2,-0.4 2,-0.4 -0.998 90.7 5.3 138.8-129.4 20.3 -3.8 33.7 57 9 D W E S+CD 39 45B 119 -12,-2.6 -12,-2.0 -2,-0.4 2,-0.3 -0.767 88.8 36.7-102.0 135.7 18.6 -0.8 32.1 58 10 D X E S-CD 38 44B 47 -20,-2.6 -20,-1.9 -2,-0.4 2,-0.5 -0.981 82.3 -4.1 134.3-148.8 20.1 2.5 30.9 59 11 D W E S+CD 37 43B 16 -16,-2.3 -16,-2.3 -2,-0.3 2,-0.2 -0.742 87.7 46.6 -99.8 126.9 23.1 4.0 29.1 60 12 D X E S-CD 36 42B 68 -24,-2.1 -24,-2.4 -2,-0.5 2,-0.3 -0.810 95.5 -8.7 161.6-104.5 26.3 2.4 28.0 61 13 D W E S+CD 35 41B 130 -20,-2.0 -20,-2.0 -2,-0.2 2,-0.4 -0.903 85.5 55.4-129.2 135.1 26.7 -0.8 26.1 62 14 D X E CD 34 40B 62 -28,-1.9 -28,-2.9 -2,-0.3 -22,-0.2 -0.998 360.0 360.0 156.2-135.1 24.2 -3.6 25.1 63 15 D W 0 0 177 -24,-2.5 -24,-2.6 -2,-0.4 -27,-0.0 -0.900 360.0 360.0-120.7 360.0 20.9 -4.2 23.4