==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 23-SEP-97 1AV2 . COMPND 2 MOLECULE: GRAMICIDIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; . AUTHOR B.M.BURKHART,N.LI,D.A.LANGS,W.L.DUAX . 60 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4455.0 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 0 161 0, 0.0 2,-0.3 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 127.8 26.5 19.2 45.3 2 2 A G E -A 30 0A 35 28,-2.4 28,-2.5 2,-0.0 2,-0.3 -0.971 360.0 -22.1 156.2-142.7 27.2 15.6 44.4 3 3 A A E S+A 29 0A 52 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.842 85.4 57.3-111.0 145.0 25.6 12.8 42.4 4 4 A X E S-A 28 0A 67 24,-2.4 24,-2.6 -2,-0.3 2,-0.3 -0.997 88.8 -17.5 142.7-144.6 22.0 12.3 41.4 5 5 A A E S+A 27 0A 58 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.693 89.2 65.9 -94.0 152.6 19.5 14.3 39.4 6 6 A X E S-A 26 0A 82 20,-2.2 20,-2.6 -2,-0.3 2,-0.3 -0.983 87.3 -26.3 146.5-129.6 19.7 18.0 38.7 7 7 A V E S+A 25 0A 42 24,-2.6 24,-1.8 -2,-0.4 2,-0.3 -0.921 86.7 52.1-124.7 149.3 22.2 19.9 36.5 8 8 A X E S+AB 24 30A 26 16,-1.9 16,-2.3 -2,-0.3 2,-0.4 -0.997 88.0 1.5 137.6-134.7 25.8 19.3 35.4 9 9 A W E S+AB 23 29A 132 20,-2.2 20,-2.0 -2,-0.3 2,-0.3 -0.724 92.1 49.1 -98.1 131.5 27.7 16.4 33.8 10 10 A X E S-AB 22 28A 38 12,-2.6 12,-2.1 -2,-0.4 2,-0.4 -0.995 84.8 -15.4 151.0-138.0 26.0 13.2 32.8 11 11 A W E S+AB 21 27A 15 16,-2.3 16,-2.4 -2,-0.3 2,-0.3 -0.888 85.4 52.0-117.0 130.5 23.0 11.9 30.9 12 12 A X E S-AB 20 26A 68 8,-2.6 8,-2.2 -2,-0.4 2,-0.4 -0.954 89.3 -13.7 152.8-124.5 19.8 13.6 29.8 13 13 A W E S+AB 19 25A 136 12,-2.2 12,-2.4 -2,-0.3 2,-0.3 -0.950 87.0 54.9-123.1 131.6 19.3 16.8 27.8 14 14 A X E AB 18 24A 65 4,-2.6 4,-2.7 -2,-0.4 10,-0.2 -0.941 360.0 360.0 157.0-124.1 21.6 19.6 26.8 15 15 A W 0 0 171 8,-2.6 8,-2.5 -2,-0.3 5,-0.1 -0.891 360.0 360.0-119.7 360.0 25.0 19.9 25.0 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 0 172 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 133.0 22.3 19.9 21.4 18 2 B G E -A 14 0A 18 -4,-2.7 -4,-2.6 2,-0.0 2,-0.3 -0.989 360.0 -15.4 152.3-149.3 19.7 17.2 22.4 19 3 B A E S+A 13 0A 58 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.659 88.6 53.0 -96.0 145.0 19.7 13.9 24.3 20 4 B X E S-A 12 0A 61 -8,-2.2 -8,-2.6 -2,-0.3 2,-0.3 -0.993 91.0 -15.2 140.4-137.6 22.7 11.8 25.4 21 5 B A E S+A 11 0A 51 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.766 87.3 65.5-103.7 146.9 25.8 12.6 27.4 22 6 B X E S-A 10 0A 52 -12,-2.1 -12,-2.6 -2,-0.3 2,-0.4 -0.984 85.8 -27.0 151.8-134.2 27.3 16.0 28.1 23 7 B V E S+A 9 0A 40 -8,-2.5 -8,-2.6 -2,-0.3 2,-0.4 -0.912 88.0 54.2-119.3 143.0 26.2 19.0 30.2 24 8 B X E S-AB 8 14A 34 -16,-2.3 -16,-1.9 -2,-0.4 2,-0.3 -1.000 87.3 -0.3 144.0-136.8 22.7 20.1 31.1 25 9 B W E S+AB 7 13A 135 -12,-2.4 -12,-2.2 -2,-0.4 2,-0.4 -0.712 90.7 46.8 -95.9 134.3 19.7 18.5 32.8 26 10 B X E S-AB 6 12A 62 -20,-2.6 -20,-2.2 -2,-0.3 2,-0.4 -0.999 87.0 -14.8 148.8-142.1 19.5 14.9 34.0 27 11 B W E S+AB 5 11A 65 -16,-2.4 -16,-2.3 -2,-0.4 2,-0.3 -0.817 85.0 58.9-108.7 144.5 21.5 12.4 36.0 28 12 B X E S-AB 4 10A 6 -24,-2.6 -24,-2.4 -2,-0.4 2,-0.4 -0.996 85.9 -19.6 144.1-149.8 25.1 12.6 37.0 29 13 B W E S+AB 3 9A 100 -20,-2.0 -20,-2.2 -2,-0.3 2,-0.3 -0.875 87.2 59.4-101.8 136.2 27.4 15.0 38.9 30 14 B X E AB 2 8A 47 -28,-2.5 -28,-2.4 -2,-0.4 -22,-0.2 -0.986 360.0 360.0 153.7-139.1 26.6 18.7 39.7 31 15 B W 0 0 159 -24,-1.8 -24,-2.6 -2,-0.3 -27,-0.1 -0.740 360.0 360.0-106.4 360.0 24.0 20.6 41.6 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 0 159 0, 0.0 2,-0.3 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 133.0 20.3 -3.2 44.1 34 2 C G E -C 62 0B 31 28,-2.3 28,-2.9 26,-0.0 2,-0.3 -0.948 360.0 -21.6 153.6-141.8 19.4 0.4 43.2 35 3 C A E S+C 61 0B 53 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.802 87.2 61.1-109.8 149.9 20.9 3.2 41.3 36 4 C X E S-C 60 0B 64 24,-2.4 24,-2.5 -2,-0.3 2,-0.3 -0.977 89.4 -24.5 143.7-127.6 24.5 3.9 40.4 37 5 C A E S+C 59 0B 46 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.916 85.2 68.3-121.5 155.6 26.9 1.7 38.3 38 6 C X E S-C 58 0B 75 20,-2.1 20,-2.5 -2,-0.3 2,-0.4 -0.982 86.0 -22.3 145.1-127.4 27.0 -2.0 37.5 39 7 C V E S+C 57 0B 45 24,-2.6 24,-2.5 -2,-0.3 2,-0.3 -0.946 89.9 53.9-127.2 139.8 24.7 -4.1 35.4 40 8 C X E S-CD 56 62B 31 16,-2.5 16,-2.2 -2,-0.4 2,-0.4 -0.990 87.0 -3.3 144.8-135.1 21.0 -3.5 34.4 41 9 C W E S+CD 55 61B 134 20,-2.7 20,-2.3 -2,-0.3 2,-0.4 -0.821 90.0 47.3-106.6 132.3 19.1 -0.7 32.8 42 10 C X E S-CD 54 60B 52 12,-2.5 12,-2.3 -2,-0.4 2,-0.4 -0.994 86.6 -13.0 150.7-133.4 20.5 2.6 31.7 43 11 C W E S+CD 53 59B 15 16,-2.4 16,-2.6 -2,-0.4 2,-0.3 -0.864 85.4 53.8-119.3 136.7 23.4 3.9 29.7 44 12 C X E S-CD 52 58B 69 8,-2.4 8,-2.5 -2,-0.4 2,-0.4 -0.964 89.0 -13.8 151.0-123.5 26.7 2.3 28.6 45 13 C W E S+CD 51 57B 136 12,-2.1 12,-2.4 -2,-0.3 2,-0.3 -0.919 87.7 54.5-123.0 135.1 27.3 -0.9 26.7 46 14 C X E CD 50 56B 68 4,-2.4 4,-2.6 -2,-0.4 10,-0.2 -0.923 360.0 360.0 155.2-126.1 25.1 -3.8 25.8 47 15 C W 0 0 180 8,-2.6 8,-2.7 -2,-0.3 5,-0.1 -0.897 360.0 360.0-117.6 360.0 21.7 -4.2 24.0 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 0 160 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 123.6 24.5 -4.1 20.2 50 2 D G E -C 46 0B 17 -4,-2.6 -4,-2.4 2,-0.1 2,-0.3 -0.987 360.0 -11.8 152.3-149.8 26.8 -1.3 21.3 51 3 D A E S+C 45 0B 58 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.755 86.3 48.9 -98.3 143.0 26.8 1.9 23.2 52 4 D X E S-C 44 0B 73 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.2 -0.970 90.4 -11.2 138.4-146.4 23.9 4.0 24.4 53 5 D A E S+C 43 0B 49 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.560 89.4 64.0 -89.8 147.8 20.7 3.3 26.3 54 6 D X E S-C 42 0B 74 -12,-2.3 -12,-2.5 -2,-0.2 2,-0.3 -0.983 87.2 -28.7 149.9-129.6 19.2 -0.1 27.0 55 7 D V E S+C 41 0B 34 -8,-2.7 -8,-2.6 -2,-0.3 2,-0.4 -0.931 85.8 54.9-124.0 149.3 20.5 -3.0 29.1 56 8 D X E S-CD 40 46B 37 -16,-2.2 -16,-2.5 -2,-0.3 2,-0.4 -0.998 88.4 -0.1 139.3-129.0 24.0 -4.2 30.1 57 9 D W E S+CD 39 45B 140 -12,-2.4 -12,-2.1 -2,-0.4 2,-0.4 -0.755 91.4 49.7 -99.7 134.4 27.0 -2.5 31.8 58 10 D X E S-CD 38 44B 66 -20,-2.5 -20,-2.1 -2,-0.4 2,-0.4 -0.996 84.6 -15.7 153.5-148.4 27.0 1.1 32.9 59 11 D W E S+CD 37 43B 53 -16,-2.6 -16,-2.4 -2,-0.4 2,-0.4 -0.800 85.8 52.6-101.1 141.8 25.1 3.6 34.7 60 12 D X E S-CD 36 42B 7 -24,-2.5 -24,-2.4 -2,-0.4 2,-0.4 -0.998 88.0 -14.3 143.7-138.8 21.5 3.5 35.9 61 13 D W E S+CD 35 41B 112 -20,-2.3 -20,-2.7 -2,-0.4 2,-0.3 -0.854 86.3 58.8-109.5 139.4 19.3 1.0 37.8 62 14 D X E CD 34 40B 49 -28,-2.9 -28,-2.3 -2,-0.4 -22,-0.2 -0.981 360.0 360.0 152.3-141.8 20.1 -2.6 38.6 63 15 D W 0 0 160 -24,-2.5 -24,-2.6 -2,-0.3 -27,-0.0 -0.788 360.0 360.0-107.1 360.0 22.8 -4.6 40.5