==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 04-JUN-99 1C4D . COMPND 2 MOLECULE: GRAMICIDIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; . AUTHOR B.A.WALLACE . 60 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4316.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 45 75.0 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 . 38 63.3 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 . 5 8.3 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 . 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 . 0 0 1 1 0 0 1 1 0 0 1 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 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 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 0 133 0, 0.0 28,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.7 3.3 19.9 7.2 2 2 A G - 0 0 39 26,-0.2 26,-0.2 29,-0.1 2,-0.1 -0.894 360.0 -65.2 119.6 -94.8 1.7 18.1 4.3 3 3 A A S S+ 0 0 44 24,-0.5 24,-1.1 -2,-0.4 2,-0.3 -0.336 97.5 26.1 168.1 112.8 -2.1 17.6 5.3 4 4 A X E S-A 26 0A 76 22,-0.2 2,-0.3 -2,-0.1 22,-0.2 -0.979 94.5 -53.4 133.5-136.2 -3.2 15.3 8.1 5 5 A A E S-A 25 0A 23 20,-1.7 20,-2.4 -2,-0.3 2,-0.5 -0.813 94.4 -13.5-151.3 111.8 -1.7 14.0 11.4 6 6 A X E S-AB 24 30A 30 24,-1.3 24,-1.6 -2,-0.3 18,-0.2 -0.868 93.9 -32.5 126.3-137.1 1.6 12.3 11.2 7 7 A V E S-AB 23 29A 14 16,-1.9 16,-1.7 -2,-0.5 2,-0.4 -0.720 96.3 -12.8-153.9 106.8 4.0 10.9 8.7 8 8 A X E S-AB 22 28A 37 20,-2.7 20,-2.9 14,-0.2 2,-0.3 -0.961 99.4 -31.9 118.3-137.0 2.7 9.2 5.4 9 9 A W E S-AB 21 27A 147 12,-2.6 12,-1.9 -2,-0.4 2,-0.6 -0.920 95.5 -34.7-134.9 107.0 -0.7 8.0 4.3 10 10 A X E S+A 20 0A 19 16,-1.1 16,-0.4 -2,-0.3 2,-0.3 -0.738 93.6 1.4 105.3-114.8 -3.3 6.7 6.9 11 11 A W S S- 0 0 80 8,-0.6 2,-0.4 -2,-0.6 14,-0.2 -0.683 97.6 -29.1-138.0 93.4 -3.1 4.7 10.1 12 12 A X E S-C 24 0A 87 12,-1.9 12,-2.6 -2,-0.3 2,-0.3 -0.951 95.7 -38.2 115.4-132.3 -0.1 3.3 12.0 13 13 A W E S-C 23 0A 102 4,-1.7 2,-0.4 -2,-0.4 10,-0.3 -0.854 94.0 -7.0-147.9 109.8 3.2 2.3 10.3 14 14 A X E C 22 0A 6 8,-1.9 8,-3.7 -2,-0.3 -3,-0.1 -0.879 360.0 360.0 126.8-141.4 3.7 0.5 7.0 15 15 A W 0 0 173 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.878 360.0 360.0-123.3 360.0 1.6 -1.1 4.3 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 0 120 0, 0.0 -4,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 138.1 2.3 -3.0 10.0 18 2 B G - 0 0 66 -6,-0.2 -6,-0.2 -3,-0.1 2,-0.2 -0.712 360.0 -59.3 125.8 -79.7 -1.0 -1.6 11.9 19 3 B A S S+ 0 0 39 -2,-0.3 -8,-0.6 3,-0.1 2,-0.4 -0.416 95.8 17.5 160.1 108.7 -3.0 -0.6 8.8 20 4 B X E S-A 10 0A 96 -10,-0.2 2,-0.3 -2,-0.2 -10,-0.2 -0.863 95.4 -34.0 145.6-107.8 -2.7 1.6 5.8 21 5 B A E S-A 9 0A 34 -12,-1.9 -12,-2.6 -2,-0.4 2,-0.6 -0.725 93.8 -35.2-152.4 92.3 0.5 3.2 4.3 22 6 B X E S-AC 8 14A 19 -8,-3.7 -8,-1.9 -2,-0.3 -14,-0.2 -0.840 100.9 -15.2 104.3-113.1 3.7 4.5 6.2 23 7 B V E S-AC 7 13A 29 -16,-1.7 -16,-1.9 -2,-0.6 2,-0.4 -0.651 96.8 -23.5-151.7 110.1 3.3 6.2 9.7 24 8 B X E S-AC 6 12A 51 -12,-2.6 -12,-1.9 -2,-0.2 2,-0.2 -0.935 96.1 -35.7 115.0-123.0 0.4 7.7 11.8 25 9 B W E S-A 5 0A 144 -20,-2.4 -20,-1.7 -2,-0.4 2,-0.5 -0.803 98.7 -5.2-136.9 110.0 -3.1 9.1 10.4 26 10 B X E S-A 4 0A 41 -16,-0.4 -16,-1.1 -2,-0.2 2,-0.4 -0.848 87.1 -35.0 140.0-158.8 -2.9 10.9 7.1 27 11 B W E S-B 9 0A 106 -24,-1.1 -24,-0.5 -2,-0.5 2,-0.5 -0.752 98.5 -15.3-139.8 99.6 -1.1 12.3 4.2 28 12 B X E S-B 8 0A 43 -20,-2.9 -20,-2.7 -2,-0.4 2,-0.4 -0.943 95.2 -42.2 127.2-135.6 2.2 13.8 5.0 29 13 B W E S+B 7 0A 49 -28,-2.0 2,-0.3 -2,-0.5 -22,-0.3 -0.904 92.4 0.2-158.2 115.6 3.7 14.8 8.2 30 14 B X E B 6 0A 87 -24,-1.6 -24,-1.3 -2,-0.4 -3,-0.1 -0.798 360.0 360.0 118.0-152.3 2.3 16.6 11.1 31 15 B W 0 0 200 -2,-0.3 -26,-0.3 -26,-0.3 -29,-0.1 -0.945 360.0 360.0-126.2 360.0 -1.3 17.9 11.7 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 0 145 0, 0.0 28,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.1 12.5 19.2 7.8 34 2 C G E -D 60 0B 37 26,-0.2 26,-0.2 29,-0.1 2,-0.2 -0.948 360.0 -57.0 137.6-100.7 14.2 17.4 10.8 35 3 C A E S-D 59 0B 35 24,-1.0 24,-1.6 -2,-0.4 2,-0.4 -0.619 100.2 -0.6 175.2 102.1 18.0 16.7 10.2 36 4 C X E S-D 58 0B 81 22,-0.2 2,-0.2 -2,-0.2 22,-0.2 -0.888 96.9 -30.7 125.8-101.1 19.2 14.8 7.2 37 5 C A E S-D 57 0B 30 20,-0.6 20,-2.1 -2,-0.4 2,-0.4 -0.676 91.4 -24.2-161.6 109.0 17.5 13.0 4.1 38 6 C X E S-D 56 0B 66 24,-0.5 24,-2.8 -2,-0.2 2,-0.3 -0.826 100.3 -25.4 98.2-128.2 13.8 11.3 3.8 39 7 C V E S-DE 55 61B 8 16,-3.3 16,-2.0 -2,-0.4 2,-0.5 -0.910 99.1 -15.0-135.1 115.0 11.9 9.8 6.8 40 8 C X E S-DE 54 60B 22 20,-2.8 20,-1.7 -2,-0.3 2,-0.2 -0.885 95.1 -29.7 125.1-133.4 13.4 8.4 10.1 41 9 C W E S-DE 53 59B 131 12,-1.0 12,-1.3 -2,-0.5 2,-0.5 -0.741 97.7 -32.3-146.7 97.6 16.8 7.5 11.4 42 10 C X E S-DE 52 58B 65 16,-1.1 16,-0.7 -2,-0.2 2,-0.3 -0.833 95.6 -12.3 117.0-119.8 19.3 6.1 8.9 43 11 C W E S-DE 51 57B 74 8,-0.9 8,-1.6 -2,-0.5 2,-0.4 -0.752 96.7 -10.0-135.1 104.7 19.1 3.9 5.5 44 12 C X E S-DE 50 56B 73 12,-0.9 12,-2.6 -2,-0.3 2,-0.4 -0.969 90.5 -44.4 131.4-159.5 16.0 2.0 4.4 45 13 C W E S- E 0 55B 104 4,-2.9 10,-0.3 -2,-0.4 2,-0.3 -0.932 97.7 -13.5-138.0 110.8 12.7 1.1 5.6 46 14 C X E E 0 54B 25 8,-2.8 8,-2.5 -2,-0.4 -3,-0.1 -0.784 360.0 360.0 113.0-133.4 12.4 -0.2 9.2 47 15 C W 0 0 207 6,-0.3 6,-0.3 -2,-0.3 3,-0.1 -0.933 360.0 360.0-133.7 360.0 15.0 -1.5 11.8 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 0 117 0, 0.0 -4,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 93.7 14.3 -3.7 5.6 50 2 D G E -D 44 0B 61 -6,-0.2 -6,-0.2 -3,-0.1 2,-0.2 -0.803 360.0 -46.5 132.9 -89.8 17.6 -2.1 4.0 51 3 D A E S+D 43 0B 40 -8,-1.6 -8,-0.9 -2,-0.3 2,-0.4 -0.552 100.1 6.0 179.5 104.9 20.0 -1.0 6.8 52 4 D X E S-D 42 0B 97 -10,-0.2 -10,-0.2 -2,-0.2 2,-0.1 -0.930 94.3 -35.1 136.1-119.1 19.1 1.1 9.9 53 5 D A E S-D 41 0B 24 -12,-1.3 -12,-1.0 -2,-0.4 2,-0.4 -0.471 94.5 -26.9-154.6 83.2 16.0 2.4 11.5 54 6 D X E S-DE 40 46B 27 -8,-2.5 -8,-2.8 -14,-0.2 2,-0.3 -0.956 97.9 -26.4 125.5-114.6 12.9 3.7 9.6 55 7 D V E S-DE 39 45B 18 -16,-2.0 -16,-3.3 -2,-0.4 2,-0.4 -0.842 98.1 -6.5-156.6 101.8 12.8 5.1 6.1 56 8 D X E S-DE 38 44B 47 -12,-2.6 -12,-0.9 -2,-0.3 -18,-0.2 -0.914 94.7 -45.0 139.4-129.0 15.6 7.0 4.2 57 9 D W E S-DE 37 43B 157 -20,-2.1 -20,-0.6 -2,-0.4 2,-0.4 -0.709 99.7 -12.3-151.7 101.9 19.2 8.2 5.1 58 10 D X E S-DE 36 42B 24 -16,-0.7 -16,-1.1 -22,-0.2 2,-0.3 -0.904 92.5 -32.0 131.8-154.1 19.2 10.1 8.5 59 11 D W E S-DE 35 41B 99 -24,-1.6 -24,-1.0 -2,-0.4 2,-0.4 -0.755 95.5 -13.4-135.4 102.9 17.0 11.6 11.4 60 12 D X E S-DE 34 40B 38 -20,-1.7 -20,-2.8 -2,-0.3 2,-0.5 -0.915 92.8 -25.9 136.7-153.9 13.9 13.1 10.3 61 13 D W E S- E 0 39B 55 -28,-1.9 2,-0.5 -2,-0.4 -22,-0.2 -0.909 98.1 -30.8-131.6 95.3 11.9 14.3 7.4 62 14 D X 0 0 86 -24,-2.8 -24,-0.5 -2,-0.5 -3,-0.1 -0.882 360.0 360.0 104.0-132.0 13.5 15.3 4.3 63 15 D W 0 0 189 -2,-0.5 -26,-0.2 -26,-0.3 -29,-0.1 -0.855 360.0 360.0-146.3 360.0 16.9 17.0 4.3