==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 14-JAN-11 2Y5M . COMPND 2 MOLECULE: VAL-GRAMICIDIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; . AUTHOR N.HOEFER,D.ARAGAO,M.CAFFREY . 90 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 77.8 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 . 70 77.8 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 . 3 3.3 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-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 . 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 0 0 0 0 0 0 3 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 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 0 166 0, 0.0 30,-3.0 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 140.4 -6.0 14.3 -11.7 2 2 A G E -A 30 0A 35 48,-0.3 2,-0.3 28,-0.2 48,-0.3 -0.367 360.0 -61.1 66.8-141.9 -3.8 11.3 -12.2 3 3 A A E S-A 29 0A 10 26,-2.3 26,-3.0 3,-0.2 2,-0.3 -0.920 89.0 -6.0-150.7 122.9 -4.4 9.1 -15.2 4 4 A X E S-A 28 0A 27 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.782 89.2 -60.6 105.9-142.5 -7.4 7.1 -16.2 5 5 A A E S-A 27 0A 9 22,-2.7 22,-2.6 -2,-0.3 2,-0.3 -0.824 90.7 -18.6-152.2 106.6 -10.6 6.4 -14.3 6 6 A X E S-AB 26 30A 33 24,-2.8 24,-2.5 -2,-0.3 2,-0.4 -0.750 91.4 -53.1 101.0-147.4 -10.7 4.6 -10.9 7 7 A V E S-AB 25 29A 38 18,-2.7 18,-3.0 -2,-0.3 2,-0.4 -0.913 91.6 -19.9-143.2 114.1 -8.0 2.4 -9.3 8 8 A X E S-AB 24 28A 41 20,-2.9 20,-3.1 -2,-0.4 2,-0.2 -0.792 90.1 -61.8 99.0-134.6 -6.4 -0.6 -10.9 9 9 A W E S-AB 23 27A 103 14,-2.9 14,-2.6 -2,-0.4 2,-0.4 -0.763 89.7 -7.7-160.1 109.6 -7.8 -2.6 -13.7 10 10 A X E S-AB 22 26A 39 16,-2.1 16,-2.1 -2,-0.2 2,-0.3 -0.891 90.8 -53.7 113.7-137.6 -11.1 -4.5 -13.8 11 11 A W E S-AB 21 25A 143 10,-2.5 10,-2.7 -2,-0.4 2,-0.5 -0.783 89.5 -26.7-155.8 98.2 -13.6 -5.2 -11.1 12 12 A X E S-AB 20 24A 85 12,-3.1 12,-2.8 -2,-0.3 8,-0.2 -0.806 91.2 -50.8 105.6-132.6 -12.7 -6.9 -7.8 13 13 A W E S-AB 19 23A 150 6,-3.1 6,-2.4 -2,-0.5 2,-0.4 -0.656 94.2 -12.3-157.5 95.9 -9.9 -9.3 -7.1 14 14 A X E AB 18 22A 70 8,-2.6 8,-2.8 4,-0.3 4,-0.2 -0.945 360.0 360.0 124.1-134.6 -9.2 -12.4 -9.2 15 15 A W 0 0 161 2,-2.9 6,-0.2 -2,-0.4 3,-0.1 -0.647 360.0 360.0-163.9 360.0 -11.1 -14.2 -11.8 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 0 169 0, 0.0 -2,-2.9 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 140.0 -10.5 -17.8 -8.0 18 2 B G E -A 14 0A 66 -4,-0.2 2,-0.3 1,-0.1 -4,-0.3 -0.376 360.0 -61.1 66.7-142.3 -11.3 -14.8 -5.8 19 3 B A E S-A 13 0A 59 -6,-2.4 -6,-3.1 3,-0.2 2,-0.3 -0.917 89.2 -5.7-150.6 122.2 -14.2 -12.6 -7.0 20 4 B X E S-A 12 0A 80 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.791 89.2 -61.5 106.4-143.1 -14.7 -10.6 -10.1 21 5 B A E S-A 11 0A 30 -10,-2.7 -10,-2.5 -2,-0.3 2,-0.3 -0.810 90.6 -18.1-151.9 108.6 -12.2 -10.0 -12.9 22 6 B X E S-AB 10 14A 34 -8,-2.8 -8,-2.6 -2,-0.3 2,-0.4 -0.768 91.4 -53.1 99.6-147.6 -8.8 -8.2 -12.4 23 7 B V E S-AB 9 13A 40 -14,-2.6 -14,-2.9 -2,-0.3 2,-0.4 -0.927 91.2 -19.5-143.2 112.4 -7.8 -6.0 -9.6 24 8 B X E S-AB 8 12A 63 -12,-2.8 -12,-3.1 -2,-0.4 2,-0.2 -0.782 90.2 -62.5 100.8-135.3 -9.6 -2.9 -8.2 25 9 B W E S-AB 7 11A 129 -18,-3.0 -18,-2.7 -2,-0.4 2,-0.4 -0.750 89.6 -7.1-160.5 110.5 -12.2 -1.0 -10.1 26 10 B X E S-AB 6 10A 47 -16,-2.1 -16,-2.1 -20,-0.2 -20,-0.3 -0.898 91.0 -53.9 112.8-138.1 -11.7 0.9 -13.3 27 11 B W E S-AB 5 9A 35 -22,-2.6 -22,-2.7 -2,-0.4 2,-0.5 -0.774 89.7 -26.6-154.7 98.9 -8.6 1.7 -15.3 28 12 B X E S-AB 4 8A 13 -20,-3.1 -20,-2.9 -2,-0.2 -24,-0.2 -0.820 90.9 -51.2 104.9-131.8 -5.5 3.4 -13.9 29 13 B W E S-AB 3 7A 109 -26,-3.0 -26,-2.3 -2,-0.5 2,-0.4 -0.659 94.1 -11.6-158.1 94.2 -5.2 5.7 -11.0 30 14 B X E AB 2 6A 71 -24,-2.5 -24,-2.8 -28,-0.2 -28,-0.2 -0.947 360.0 360.0 124.7-135.7 -7.4 8.8 -10.6 31 15 B W 0 0 192 -30,-3.0 -26,-0.2 -2,-0.4 -29,-0.1 -0.648 360.0 360.0-163.0 360.0 -9.7 10.6 -13.0 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 0 234 0, 0.0 2,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 160.1 5.1 -18.9 -20.7 34 2 C G - 0 0 40 29,-0.3 2,-0.3 28,-0.1 28,-0.2 -0.346 360.0-166.3 -68.4 156.9 5.8 -16.2 -18.1 35 3 C A E -C 61 0B 44 26,-1.4 26,-2.7 3,-0.2 3,-0.2 -0.988 49.3 -26.3-145.4 136.8 8.6 -13.7 -18.3 36 4 C X E S-C 60 0B 103 -2,-0.3 24,-0.2 24,-0.2 2,-0.2 -0.406 91.4 -66.3 66.9-138.7 10.1 -11.4 -15.7 37 5 C A E S+C 59 0B 30 22,-3.0 22,-2.2 26,-0.2 2,-0.3 -0.691 94.4 1.9-159.6 94.1 7.9 -10.3 -12.9 38 6 C X E S-CD 58 62B 16 24,-2.7 24,-2.6 20,-0.3 2,-0.4 -0.875 86.5 -66.0 127.3-161.1 4.9 -8.1 -13.5 39 7 C V E S-CD 57 61B 34 18,-2.5 18,-2.8 -2,-0.3 2,-0.4 -0.955 89.9 -24.4-133.1 119.0 3.2 -6.5 -16.5 40 8 C X E S-CD 56 60B 65 20,-2.6 20,-2.3 -2,-0.4 2,-0.2 -0.715 95.2 -61.4 87.8-135.1 4.9 -3.8 -18.7 41 9 C W E S+CD 55 59B 118 14,-2.8 14,-2.6 -2,-0.4 2,-0.4 -0.770 92.6 2.8-159.2 108.1 7.6 -1.7 -17.1 42 10 C X E S-CD 54 58B 59 16,-2.5 16,-2.8 -2,-0.2 12,-0.2 -0.941 87.4 -64.2 126.1-139.0 7.3 0.7 -14.2 43 11 C W E S-CD 53 57B 137 10,-3.1 10,-2.3 -2,-0.4 2,-0.4 -0.693 91.9 -23.6-160.6 96.9 4.4 1.5 -11.8 44 12 C X E S-CD 52 56B 15 12,-3.0 12,-2.6 8,-0.2 2,-0.3 -0.837 93.3 -60.6 102.2-135.6 1.3 3.2 -13.1 45 13 C W E S+CD 51 55B 66 6,-2.6 6,-2.8 -2,-0.4 2,-0.4 -0.844 90.6 6.5-156.7 117.4 1.2 5.3 -16.3 46 14 C X E CD 50 54B 62 8,-2.1 8,-2.6 -2,-0.3 4,-0.2 -0.936 360.0 360.0 122.8-138.7 3.2 8.4 -17.2 47 15 C W 0 0 198 2,-3.0 6,-0.2 -2,-0.4 3,-0.1 -0.547 360.0 360.0-163.1 360.0 5.9 10.3 -15.4 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 0 178 0, 0.0 -2,-3.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 119.7 2.4 13.7 -16.0 50 2 D G E -C 46 0B 30 -48,-0.3 -48,-0.3 -4,-0.2 2,-0.3 -0.494 360.0 -43.1 74.8-136.3 -0.3 11.1 -15.3 51 3 D A E S-C 45 0B 9 -6,-2.8 -6,-2.6 -2,-0.2 2,-0.4 -0.780 97.1 -29.8-144.8 99.2 0.2 8.8 -12.3 52 4 D X E S-C 44 0B 112 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.844 88.2 -50.0 105.8-133.9 3.5 7.1 -11.5 53 5 D A E S-C 43 0B 28 -10,-2.3 -10,-3.1 -2,-0.4 2,-0.3 -0.953 87.3 -22.6-151.4 128.0 6.2 6.1 -14.0 54 6 D X E S-CD 42 46B 48 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.3 -0.612 93.9 -54.6 82.3-131.8 6.2 4.1 -17.2 55 7 D V E S-CD 41 45B 54 -14,-2.6 -14,-2.8 -2,-0.3 2,-0.4 -0.814 92.4 -8.0-156.3 111.2 3.4 1.7 -18.0 56 8 D X E S-CD 40 44B 46 -12,-2.6 -12,-3.0 -2,-0.3 2,-0.3 -0.879 87.6 -58.9 114.6-141.0 2.2 -1.2 -15.9 57 9 D W E S-CD 39 43B 126 -18,-2.8 -18,-2.5 -2,-0.4 2,-0.4 -0.810 91.6 -24.1-155.6 108.3 3.4 -2.7 -12.8 58 10 D X E S-CD 38 42B 79 -16,-2.8 -16,-2.5 -2,-0.3 -20,-0.3 -0.757 94.4 -59.2 94.2-133.2 6.9 -4.3 -12.3 59 11 D W E S+CD 37 41B 132 -22,-2.2 -22,-3.0 -2,-0.4 2,-0.4 -0.792 88.1 5.5-158.0 118.1 8.7 -5.6 -15.4 60 12 D X E S-CD 36 40B 71 -20,-2.3 -20,-2.6 -2,-0.3 -24,-0.2 -0.955 89.1 -58.2 124.2-139.9 7.8 -8.2 -18.1 61 13 D W E S-CD 35 39B 162 -26,-2.7 -26,-1.4 -2,-0.4 2,-0.5 -0.631 92.8 -38.9-152.2 86.0 4.8 -10.3 -18.7 62 14 D X E D 0 38B 97 -24,-2.6 -24,-2.7 -28,-0.2 -3,-0.2 -0.817 360.0 360.0 100.1-129.9 3.6 -12.6 -15.9 63 15 D W 0 0 218 -2,-0.5 -29,-0.3 -26,-0.2 -26,-0.2 -0.924 360.0 360.0-147.1 360.0 6.1 -14.4 -13.8 64 !* 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 65 1 E X 0 0 232 0, 0.0 2,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 159.1 -15.9 15.3 -28.8 66 2 E G - 0 0 41 29,-0.3 2,-0.3 28,-0.1 28,-0.2 -0.339 360.0-165.5 -67.6 157.2 -13.5 12.7 -27.6 67 3 E A E -E 93 0C 43 26,-1.4 26,-2.7 3,-0.2 3,-0.2 -0.989 49.2 -27.3-145.6 134.0 -14.2 10.2 -24.9 68 4 E X E S-E 92 0C 50 -2,-0.3 24,-0.2 24,-0.2 2,-0.2 -0.397 91.3 -65.8 68.8-137.3 -11.9 7.9 -23.0 69 5 E A E S+E 91 0C 4 22,-3.0 22,-2.2 26,-0.2 2,-0.3 -0.704 95.0 1.9-160.2 94.5 -8.7 6.7 -24.6 70 6 E X E S-EF 90 94C 17 24,-2.7 24,-2.6 20,-0.3 2,-0.4 -0.871 86.5 -67.0 127.0-161.1 -8.8 4.5 -27.7 71 7 E V E S-EF 89 93C 32 18,-2.4 18,-2.9 -2,-0.3 2,-0.4 -0.957 89.9 -23.4-135.2 120.4 -11.5 3.0 -29.9 72 8 E X E S-EF 88 92C 59 20,-2.6 20,-2.3 -2,-0.4 2,-0.3 -0.711 95.3 -61.5 87.4-134.9 -13.9 0.3 -28.6 73 9 E W E S+EF 87 91C 101 14,-2.7 14,-2.6 -2,-0.4 2,-0.4 -0.778 92.2 2.5-158.8 108.4 -12.9 -1.9 -25.7 74 10 E X E S-EF 86 90C 28 16,-2.5 16,-2.8 -2,-0.3 12,-0.2 -0.930 87.3 -63.9 126.3-138.0 -9.9 -4.2 -25.5 75 11 E W E S-EF 85 89C 136 10,-3.1 10,-2.2 -2,-0.4 2,-0.4 -0.706 92.0 -24.0-160.5 96.0 -7.1 -5.1 -27.9 76 12 E X E S-EF 84 88C 92 12,-3.0 12,-2.7 8,-0.2 2,-0.3 -0.835 93.3 -60.7 101.9-136.9 -7.8 -6.8 -31.2 77 13 E W E S+EF 83 87C 159 6,-2.6 6,-2.8 -2,-0.4 2,-0.4 -0.826 90.6 7.2-156.8 117.6 -10.9 -8.8 -31.8 78 14 E X E EF 82 86C 56 8,-2.1 8,-2.7 -2,-0.3 4,-0.2 -0.939 360.0 360.0 122.8-138.5 -12.1 -12.0 -30.0 79 15 E W 0 0 169 2,-2.9 6,-0.2 -2,-0.4 3,-0.1 -0.571 360.0 360.0-163.0 360.0 -10.8 -13.9 -27.0 80 !* 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 81 1 F X 0 0 177 0, 0.0 -2,-2.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 119.6 -10.8 -17.3 -30.6 82 2 F G E -E 78 0C 61 -4,-0.2 2,-0.3 1,-0.1 -4,-0.2 -0.491 360.0 -43.2 74.6-135.8 -9.6 -14.7 -33.1 83 3 F A E S-E 77 0C 55 -6,-2.8 -6,-2.6 -2,-0.2 2,-0.4 -0.766 97.1 -29.6-146.6 97.6 -6.8 -12.4 -32.1 84 4 F X E S-E 76 0C 111 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.854 88.2 -50.8 107.5-134.8 -6.6 -10.6 -28.8 85 5 F A E S-E 75 0C 29 -10,-2.2 -10,-3.1 -2,-0.4 2,-0.4 -0.941 86.9 -22.1-150.7 129.2 -9.5 -9.6 -26.6 86 6 F X E S-EF 74 78C 47 -8,-2.7 -8,-2.1 -2,-0.3 2,-0.3 -0.621 93.8 -55.7 81.3-131.9 -12.7 -7.7 -27.0 87 7 F V E S-EF 73 77C 59 -14,-2.6 -14,-2.7 -2,-0.4 2,-0.4 -0.823 92.3 -6.2-156.5 110.3 -13.0 -5.3 -29.9 88 8 F X E S-EF 72 76C 58 -12,-2.7 -12,-3.0 -2,-0.3 2,-0.3 -0.870 87.5 -60.1 117.8-141.4 -10.7 -2.4 -30.8 89 9 F W E S-EF 71 75C 135 -18,-2.9 -18,-2.4 -2,-0.4 2,-0.4 -0.813 91.8 -24.0-155.8 109.2 -7.8 -0.8 -29.0 90 10 F X E S-EF 70 74C 55 -16,-2.8 -16,-2.5 -2,-0.3 -20,-0.3 -0.766 95.1 -59.7 92.1-134.5 -8.0 0.7 -25.5 91 11 F W E S+EF 69 73C 70 -22,-2.2 -22,-3.0 -2,-0.4 2,-0.4 -0.781 88.0 6.2-156.8 118.2 -11.4 2.0 -24.3 92 12 F X E S-EF 68 72C 64 -20,-2.3 -20,-2.6 -2,-0.3 -24,-0.2 -0.958 88.9 -58.0 125.2-140.9 -13.8 4.7 -25.6 93 13 F W E S-EF 67 71C 154 -26,-2.7 -26,-1.4 -2,-0.4 2,-0.5 -0.632 92.6 -39.7-150.9 84.8 -13.9 6.8 -28.8 94 14 F X E F 0 70C 98 -24,-2.6 -24,-2.7 -28,-0.2 -3,-0.2 -0.825 360.0 360.0 100.9-128.4 -10.9 9.0 -29.4 95 15 F W 0 0 189 -2,-0.5 -29,-0.3 -26,-0.2 -26,-0.2 -0.932 360.0 360.0-148.1 360.0 -9.3 10.8 -26.6