==== 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 09-JUL-96 1GMK . COMPND 2 MOLECULE: GRAMICIDIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; . AUTHOR D.A.DOYLE,B.A.WALLACE . 60 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 38 63.3 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 . 29 48.3 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 . 1 1.7 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 . 4 6.7 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 . 1 1.7 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 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 . 1 1 0 0 4 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 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 0 150 0, 0.0 28,-1.8 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 112.0 2.8 17.1 4.2 2 2 A G E -A 28 0A 54 26,-0.2 2,-0.4 29,-0.1 26,-0.2 -0.665 360.0 -66.0 109.1-167.9 -0.4 15.4 3.3 3 3 A A E S+A 27 0A 44 24,-0.9 24,-1.3 -2,-0.2 2,-0.3 -0.923 90.8 39.8-134.9 105.4 -3.6 14.7 5.2 4 4 A X E S-A 26 0A 103 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.936 81.5 -79.1 164.1-136.9 -3.7 12.4 8.2 5 5 A A E S+A 25 0A 40 20,-1.3 20,-2.1 -2,-0.3 2,-0.3 -0.850 81.1 27.1-165.4 127.7 -1.5 11.7 11.2 6 6 A X E S-AB 24 30A 60 24,-1.0 24,-2.1 -2,-0.3 2,-0.4 -0.804 91.3 -59.6 118.6-156.0 1.7 9.7 11.6 7 7 A V E S+ B 0 29A 11 16,-2.5 2,-0.3 -2,-0.3 22,-0.2 -0.968 95.7 7.3-131.3 140.2 4.3 8.9 9.0 8 8 A X E S- B 0 28A 48 20,-1.9 20,-2.5 -2,-0.4 2,-0.3 -0.725 89.3 -76.8 96.1-136.5 3.9 7.0 5.7 9 9 A W E + B 0 27A 16 12,-1.5 18,-0.3 -2,-0.3 2,-0.3 -0.993 68.4 42.2-168.1 155.6 0.4 6.1 4.5 10 10 A X E S- B 0 26A 61 16,-2.7 16,-2.3 -2,-0.3 10,-0.2 -0.728 89.6 -49.4 110.8-158.0 -2.6 3.9 4.6 11 11 A W B S-C 19 0B 166 8,-1.5 8,-0.7 -2,-0.3 2,-0.2 -0.287 104.3 -41.3-112.0 43.9 -4.6 2.4 7.4 12 12 A X S S- 0 0 69 10,-0.5 12,-0.5 12,-0.5 6,-0.3 -0.611 85.0 -57.0 147.7 -93.5 -2.0 0.8 9.7 13 13 A W S S+ 0 0 53 -2,-0.2 2,-0.5 8,-0.1 8,-0.2 -0.966 88.7 42.9 179.6 175.0 1.1 -1.2 8.7 14 14 A X 0 0 59 -2,-0.3 5,-0.1 1,-0.2 -2,-0.1 -0.699 360.0 360.0 72.2-120.2 2.4 -4.3 6.8 15 15 A W 0 0 231 -2,-0.5 -1,-0.2 3,-0.3 4,-0.1 0.175 360.0 360.0-153.9 360.0 0.4 -4.2 3.6 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 0 171 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 118.8 -2.0 -4.2 11.8 18 2 B G - 0 0 44 -6,-0.3 -6,-0.3 -3,-0.0 2,-0.3 -0.439 360.0 -57.5 86.3-160.0 -4.2 -2.5 9.2 19 3 B A B S+C 11 0B 33 -8,-0.7 -8,-1.5 -4,-0.1 -7,-0.2 -0.899 88.1 36.7-125.5 153.5 -3.2 -1.7 5.6 20 4 B X S S- 0 0 76 -2,-0.3 2,-0.3 -10,-0.2 -5,-0.1 0.423 77.3 -97.0 84.8 132.5 -0.4 0.4 4.0 21 5 B A S S+ 0 0 15 -8,-0.2 -12,-1.5 -6,-0.1 -8,-0.1 -0.664 87.7 67.9 -82.6 139.5 3.2 0.7 5.1 22 6 B X S S- 0 0 5 -2,-0.3 -10,-0.5 -14,-0.3 -14,-0.2 0.288 87.3 -93.1 115.4 122.5 4.0 3.8 7.1 23 7 B V S S+ 0 0 64 -15,-0.1 -16,-2.5 -12,-0.1 2,-0.3 -0.350 78.9 23.2 -69.8 125.4 2.6 4.3 10.7 24 8 B X E S-A 6 0A 41 -12,-0.5 2,-0.5 -18,-0.2 -12,-0.5 -0.823 92.3 -44.1 130.4-159.6 -0.6 6.2 11.4 25 9 B W E S-A 5 0A 182 -20,-2.1 -20,-1.3 -2,-0.3 2,-0.3 -0.937 99.0 -12.0-116.9 113.7 -4.0 7.2 9.8 26 10 B X E S-AB 4 10A 70 -16,-2.3 -16,-2.7 -2,-0.5 2,-0.4 -0.820 93.4 -43.1 107.7-148.7 -3.9 8.6 6.2 27 11 B W E S+AB 3 9A 125 -24,-1.3 -24,-0.9 -2,-0.3 2,-0.4 -0.993 87.4 13.9-135.9 143.6 -1.0 9.7 4.0 28 12 B X E S-AB 2 8A 65 -20,-2.5 -20,-1.9 -2,-0.4 2,-0.3 -0.861 87.8 -55.3 108.4-141.6 2.2 11.7 4.3 29 13 B W E S+ B 0 7A 44 -28,-1.8 -22,-0.2 -2,-0.4 2,-0.2 -0.971 84.9 10.3-150.6 134.6 3.8 12.9 7.6 30 14 B X E B 0 6A 67 -24,-2.1 -24,-1.0 -2,-0.3 -26,-0.0 -0.618 360.0 360.0 100.8-164.7 2.8 14.8 10.7 31 15 B W 0 0 125 -26,-0.2 -26,-0.2 -2,-0.2 -29,-0.1 -0.940 360.0 360.0-106.2 360.0 -0.5 16.0 11.9 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 0 156 0, 0.0 28,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 113.4 12.7 18.0 10.9 34 2 C G E -D 60 0C 55 26,-0.2 26,-0.3 2,-0.0 2,-0.1 -0.940 360.0 -62.4 128.7-117.1 15.8 16.4 12.2 35 3 C A E S+D 59 0C 40 24,-2.5 24,-1.5 -2,-0.4 2,-0.3 -0.421 89.6 24.5 178.0 103.1 19.1 15.9 10.3 36 4 C X E S-D 58 0C 119 22,-0.2 22,-0.2 -2,-0.1 2,-0.2 -0.954 88.1 -60.6 147.9-123.2 19.9 14.0 7.2 37 5 C A E S+D 57 0C 33 20,-2.6 20,-1.3 -2,-0.3 2,-0.3 -0.654 86.0 24.9-170.3 108.6 17.6 12.9 4.3 38 6 C X E S-DE 56 62C 67 24,-2.3 24,-2.7 18,-0.2 2,-0.3 -0.996 86.2 -62.0 143.3-140.9 14.5 10.7 4.1 39 7 C V E S+ E 0 61C 6 16,-2.4 22,-0.2 -2,-0.3 2,-0.1 -0.974 92.7 8.9-143.6 149.0 11.9 9.8 6.7 40 8 C X E S- E 0 60C 49 20,-0.7 20,-1.3 -2,-0.3 2,-0.3 -0.408 94.4 -63.6 79.5-150.0 12.1 8.0 10.1 41 9 C W E S+ E 0 59C 21 12,-1.6 2,-0.6 18,-0.2 18,-0.2 -0.957 84.1 26.4-145.0 155.0 15.6 7.2 11.4 42 10 C X E S- E 0 58C 61 16,-2.7 16,-3.1 -2,-0.3 2,-0.2 -0.935 89.5 -68.3 112.4-117.2 18.8 5.3 10.8 43 11 C W E S+F 51 0D 125 8,-1.6 8,-3.4 -2,-0.6 2,-0.7 -0.768 96.9 9.1-176.3 124.5 19.8 4.4 7.3 44 12 C X E S-F 50 0D 66 12,-0.4 12,-0.8 6,-0.3 6,-0.4 -0.870 94.7 -74.0 106.1-110.3 18.2 1.9 4.9 45 13 C W S S+ 0 0 75 4,-2.2 7,-0.4 -2,-0.7 8,-0.2 -0.979 81.8 22.4-178.5 172.7 14.9 0.6 6.0 46 14 C X 0 0 13 -2,-0.3 5,-0.1 5,-0.1 4,-0.0 -0.301 360.0 360.0 55.7-121.6 12.7 -1.8 8.2 47 15 C W 0 0 194 5,-0.2 5,-3.0 3,-0.1 -2,-0.2 0.275 360.0 360.0-125.9 360.0 14.8 -2.6 11.4 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 0 177 0, 0.0 -4,-2.2 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 129.7 17.6 -3.1 3.9 50 2 D G E -F 44 0D 47 -6,-0.4 2,-0.5 1,-0.1 -6,-0.3 -0.344 360.0 -61.7 84.3-164.9 19.7 -1.0 6.2 51 3 D A E S+F 43 0D 38 -8,-3.4 -8,-1.6 -2,-0.1 -5,-0.1 -0.966 92.3 13.9-127.3 114.4 19.3 -0.3 9.9 52 4 D X S S- 0 0 75 -5,-3.0 -5,-0.2 -2,-0.5 -9,-0.1 -0.057 84.1 -62.0 108.7 158.2 16.2 1.3 11.3 53 5 D A S S+ 0 0 18 -8,-0.2 -12,-1.6 -11,-0.1 -6,-0.1 -0.301 92.8 28.3 -77.3 150.7 12.7 2.3 10.3 54 6 D X S S- 0 0 14 -14,-0.2 -11,-0.1 -2,-0.1 -14,-0.1 0.282 93.4 -75.8 77.2 154.2 11.7 4.7 7.5 55 7 D V S S+ 0 0 51 -10,-0.1 -16,-2.4 -12,-0.1 -10,-0.2 -0.385 81.3 23.1 -87.5 155.3 13.9 5.3 4.4 56 8 D X E S-D 38 0C 34 -12,-0.8 2,-0.4 -18,-0.2 -12,-0.4 -0.246 87.2 -41.0 96.3-173.1 17.1 7.2 4.0 57 9 D W E S-D 37 0C 161 -20,-1.3 -20,-2.6 -14,-0.2 2,-0.3 -0.770 91.1 -7.5-101.7 126.4 20.0 8.6 6.1 58 10 D X E S-DE 36 42C 60 -16,-3.1 -16,-2.7 -2,-0.4 2,-0.4 -0.704 90.3 -40.4 102.6-151.1 19.8 10.1 9.6 59 11 D W E S+DE 35 41C 139 -24,-1.5 -24,-2.5 -2,-0.3 2,-0.3 -0.989 90.4 7.0-129.9 131.2 16.9 11.2 11.9 60 12 D X E S-DE 34 40C 68 -20,-1.3 -20,-0.7 -2,-0.4 2,-0.4 -0.820 88.9 -51.0 113.0-149.1 13.6 13.0 11.1 61 13 D W E S+ E 0 39C 38 -28,-1.9 2,-0.4 -2,-0.3 -22,-0.2 -0.931 91.9 10.3-142.9 118.9 11.9 14.0 7.8 62 14 D X E E 0 38C 40 -24,-2.7 -24,-2.3 -2,-0.4 -27,-0.1 -0.969 360.0 360.0 127.5-138.8 13.3 15.8 4.9 63 15 D W 0 0 230 -2,-0.4 -26,-0.2 -26,-0.3 -29,-0.0 -0.865 360.0 360.0-161.8 360.0 16.8 16.8 4.1