==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 25-JAN-11 2Y6N . 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) . 7442.0 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 0 169 0, 0.0 30,-3.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 140.4 -6.0 14.3 -11.6 2 2 A G E -A 30 0A 36 48,-0.3 2,-0.3 28,-0.2 48,-0.3 -0.370 360.0 -61.4 67.8-142.3 -3.7 11.3 -12.1 3 3 A A E S-A 29 0A 11 26,-2.4 26,-3.1 3,-0.2 2,-0.4 -0.923 88.9 -5.0-150.8 124.7 -4.4 9.1 -15.1 4 4 A X E S-A 28 0A 25 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.779 89.2 -62.5 104.0-143.3 -7.4 7.0 -16.2 5 5 A A E S-A 27 0A 9 22,-2.7 22,-2.6 -2,-0.4 2,-0.3 -0.796 90.6 -16.1-151.5 106.6 -10.6 6.4 -14.2 6 6 A X E S-AB 26 30A 32 24,-2.7 24,-2.5 -2,-0.3 2,-0.4 -0.762 91.1 -54.4 103.5-148.3 -10.7 4.6 -10.8 7 7 A V E S-AB 25 29A 39 18,-2.8 18,-3.1 -2,-0.3 2,-0.4 -0.924 91.3 -19.3-143.8 112.8 -8.0 2.4 -9.3 8 8 A X E S-AB 24 28A 42 20,-2.9 20,-3.0 -2,-0.4 2,-0.2 -0.782 90.4 -62.5 100.8-136.5 -6.3 -0.6 -10.8 9 9 A W E S-AB 23 27A 104 14,-3.0 14,-2.7 -2,-0.4 2,-0.4 -0.760 89.9 -6.9-158.2 109.1 -7.7 -2.6 -13.7 10 10 A X E S-AB 22 26A 39 16,-2.2 16,-2.2 -2,-0.2 2,-0.3 -0.889 90.8 -54.8 114.7-138.0 -11.0 -4.5 -13.8 11 11 A W E S-AB 21 25A 141 10,-2.6 10,-2.6 -2,-0.4 2,-0.5 -0.784 89.9 -25.2-155.4 100.6 -13.5 -5.2 -11.1 12 12 A X E S-AB 20 24A 85 12,-3.1 12,-3.0 -2,-0.3 8,-0.2 -0.820 90.8 -53.5 104.4-132.9 -12.7 -6.9 -7.7 13 13 A W E S-AB 19 23A 151 6,-3.2 6,-2.4 -2,-0.5 2,-0.4 -0.678 94.3 -9.2-157.9 98.2 -9.8 -9.3 -7.1 14 14 A X E AB 18 22A 70 8,-2.5 8,-2.7 4,-0.2 4,-0.2 -0.944 360.0 360.0 123.7-138.2 -9.1 -12.4 -9.1 15 15 A W 0 0 162 2,-3.0 6,-0.2 -2,-0.4 3,-0.1 -0.632 360.0 360.0-160.4 360.0 -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,-3.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 141.6 -10.4 -17.8 -7.9 18 2 B G E -A 14 0A 66 -4,-0.2 2,-0.3 1,-0.1 -4,-0.2 -0.379 360.0 -62.7 67.1-143.3 -11.3 -14.8 -5.8 19 3 B A E S-A 13 0A 59 -6,-2.4 -6,-3.2 3,-0.2 2,-0.3 -0.927 88.7 -4.0-151.4 125.2 -14.1 -12.7 -7.0 20 4 B X E S-A 12 0A 82 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.767 89.5 -63.0 104.5-142.8 -14.7 -10.6 -10.1 21 5 B A E S-A 11 0A 30 -10,-2.6 -10,-2.6 -2,-0.3 2,-0.3 -0.810 90.5 -15.6-152.2 108.0 -12.1 -10.0 -12.9 22 6 B X E S-AB 10 14A 34 -8,-2.7 -8,-2.5 -2,-0.3 2,-0.4 -0.759 91.3 -55.0 101.7-148.7 -8.8 -8.2 -12.4 23 7 B V E S-AB 9 13A 40 -14,-2.7 -14,-3.0 -2,-0.3 2,-0.4 -0.928 91.2 -18.8-143.6 112.2 -7.7 -6.0 -9.5 24 8 B X E S-AB 8 12A 64 -12,-3.0 -12,-3.1 -2,-0.4 2,-0.2 -0.770 90.5 -63.3 103.1-136.6 -9.5 -2.9 -8.1 25 9 B W E S-AB 7 11A 129 -18,-3.1 -18,-2.8 -2,-0.4 2,-0.4 -0.767 89.2 -6.2-159.1 109.1 -12.1 -1.0 -10.0 26 10 B X E S-AB 6 10A 48 -16,-2.2 -16,-2.2 -2,-0.2 2,-0.3 -0.877 90.8 -54.5 115.6-139.1 -11.6 0.9 -13.2 27 11 B W E S-AB 5 9A 35 -22,-2.6 -22,-2.7 -2,-0.4 2,-0.5 -0.782 89.6 -26.3-154.9 98.9 -8.6 1.7 -15.2 28 12 B X E S-AB 4 8A 15 -20,-3.0 -20,-2.9 -2,-0.3 -24,-0.2 -0.818 90.9 -53.1 104.6-132.7 -5.4 3.4 -13.8 29 13 B W E S-AB 3 7A 110 -26,-3.1 -26,-2.4 -2,-0.5 2,-0.4 -0.666 94.3 -9.1-157.6 97.0 -5.2 5.8 -10.9 30 14 B X E AB 2 6A 71 -24,-2.5 -24,-2.7 -28,-0.2 -28,-0.2 -0.948 360.0 360.0 124.4-138.8 -7.4 8.9 -10.6 31 15 B W 0 0 193 -30,-3.1 -26,-0.2 -2,-0.4 -3,-0.1 -0.644 360.0 360.0-161.4 360.0 -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 0 232 0, 0.0 2,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 160.5 5.0 -18.9 -20.7 34 2 C G - 0 0 39 29,-0.3 2,-0.3 28,-0.1 28,-0.2 -0.330 360.0-165.2 -69.8 157.8 5.7 -16.2 -18.0 35 3 C A E -C 61 0B 44 26,-1.5 26,-2.8 3,-0.2 3,-0.2 -0.987 49.2 -26.1-144.7 136.9 8.6 -13.7 -18.3 36 4 C X E S-C 60 0B 103 -2,-0.3 24,-0.3 24,-0.2 2,-0.2 -0.408 91.9 -66.3 65.5-137.8 10.1 -11.4 -15.7 37 5 C A E S+C 59 0B 30 22,-3.2 22,-2.2 26,-0.2 2,-0.3 -0.701 95.0 2.0-158.3 94.1 7.9 -10.3 -12.8 38 6 C X E S-CD 58 62B 16 24,-2.8 24,-2.6 20,-0.3 2,-0.4 -0.862 87.2 -66.4 127.2-160.0 4.9 -8.0 -13.4 39 7 C V E S-CD 57 61B 31 18,-2.4 18,-2.9 -2,-0.3 2,-0.4 -0.962 89.7 -23.9-136.0 120.7 3.3 -6.5 -16.4 40 8 C X E S-CD 56 60B 64 20,-2.6 20,-2.3 -2,-0.4 2,-0.2 -0.688 95.6 -62.5 86.7-133.1 4.9 -3.8 -18.6 41 9 C W E S+CD 55 59B 120 14,-2.9 14,-2.6 -2,-0.4 2,-0.4 -0.789 92.0 4.4-160.5 108.2 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 2,-0.2 -0.926 87.2 -64.6 127.3-138.4 7.3 0.7 -14.1 43 11 C W E S-CD 53 57B 137 10,-3.0 10,-2.2 -2,-0.4 2,-0.4 -0.731 91.9 -23.5-159.9 98.5 4.4 1.6 -11.8 44 12 C X E S-CD 52 56B 14 12,-3.0 12,-2.7 8,-0.2 2,-0.3 -0.830 93.0 -62.9 100.8-136.3 1.3 3.3 -13.1 45 13 C W E S+CD 51 55B 66 6,-2.6 6,-2.8 -2,-0.4 2,-0.4 -0.831 90.4 10.7-157.6 119.2 1.3 5.3 -16.3 46 14 C X E CD 50 54B 61 8,-2.1 8,-2.6 -2,-0.3 4,-0.2 -0.943 360.0 360.0 125.2-141.1 3.2 8.5 -17.1 47 15 C W 0 0 196 2,-3.0 6,-0.2 -2,-0.4 3,-0.1 -0.555 360.0 360.0-162.4 360.0 6.0 10.3 -15.3 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 0 176 0, 0.0 -2,-3.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 118.7 2.4 13.8 -16.0 50 2 D G E -C 46 0B 29 -48,-0.3 -48,-0.3 -4,-0.2 2,-0.3 -0.481 360.0 -43.6 76.2-134.8 -0.3 11.2 -15.2 51 3 D A E S-C 45 0B 10 -6,-2.8 -6,-2.6 -2,-0.2 2,-0.4 -0.779 97.2 -28.6-146.2 98.7 0.2 8.8 -12.3 52 4 D X E S-C 44 0B 111 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.858 87.9 -51.6 107.2-133.8 3.5 7.1 -11.5 53 5 D A E S-C 43 0B 29 -10,-2.2 -10,-3.0 -2,-0.4 2,-0.3 -0.941 87.2 -21.4-152.9 126.8 6.2 6.1 -14.0 54 6 D X E S-CD 42 46B 49 -8,-2.6 -8,-2.1 -2,-0.3 2,-0.3 -0.623 94.0 -56.4 84.1-132.1 6.3 4.1 -17.2 55 7 D V E S-CD 41 45B 54 -14,-2.6 -14,-2.9 -2,-0.3 2,-0.4 -0.833 92.0 -5.2-157.4 111.4 3.4 1.7 -17.9 56 8 D X E S-CD 40 44B 44 -12,-2.7 -12,-3.0 -2,-0.3 2,-0.3 -0.873 87.9 -61.4 117.8-141.6 2.2 -1.2 -15.9 57 9 D W E S-CD 39 43B 128 -18,-2.9 -18,-2.4 -2,-0.4 2,-0.4 -0.796 91.9 -22.2-154.8 109.2 3.5 -2.7 -12.7 58 10 D X E S-CD 38 42B 80 -16,-2.8 -16,-2.5 -2,-0.3 -20,-0.3 -0.777 94.6 -60.9 94.1-134.3 6.9 -4.3 -12.3 59 11 D W E S+CD 37 41B 134 -22,-2.2 -22,-3.2 -2,-0.4 2,-0.4 -0.794 88.0 8.0-157.6 116.3 8.7 -5.6 -15.4 60 12 D X E S-CD 36 40B 72 -20,-2.3 -20,-2.6 -2,-0.3 -24,-0.2 -0.952 88.9 -60.1 129.6-139.7 7.8 -8.2 -18.0 61 13 D W E S-CD 35 39B 157 -26,-2.8 -26,-1.5 -2,-0.4 2,-0.5 -0.632 92.8 -37.9-152.4 87.5 4.7 -10.3 -18.7 62 14 D X E D 0 38B 97 -24,-2.6 -24,-2.8 -28,-0.2 -3,-0.2 -0.829 360.0 360.0 99.3-129.2 3.6 -12.6 -15.8 63 15 D W 0 0 219 -2,-0.5 -29,-0.3 -26,-0.2 -26,-0.2 -0.930 360.0 360.0-148.1 360.0 6.1 -14.3 -13.7 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 0 231 0, 0.0 2,-0.0 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 160.3 -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 -0.320 360.0-165.3 -69.7 156.3 -13.5 12.6 -27.7 67 3 E A E -E 93 0C 44 26,-1.5 26,-2.7 3,-0.2 3,-0.2 -0.988 49.0 -26.5-144.5 137.7 -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 -0.400 92.0 -65.7 65.3-136.9 -11.9 7.9 -22.9 69 5 E A E S+E 91 0C 4 22,-3.2 22,-2.3 26,-0.2 2,-0.3 -0.705 94.9 1.0-158.1 95.2 -8.7 6.7 -24.6 70 6 E X E S-EF 90 94C 16 24,-2.8 24,-2.5 20,-0.3 2,-0.4 -0.862 86.5 -67.1 126.2-159.9 -8.8 4.5 -27.7 71 7 E V E S-EF 89 93C 34 18,-2.5 18,-2.9 -2,-0.3 2,-0.4 -0.966 89.5 -21.4-135.9 121.7 -11.5 2.9 -29.8 72 8 E X E S-EF 88 92C 59 20,-2.6 20,-2.3 -2,-0.4 2,-0.2 -0.693 94.9 -64.1 90.4-137.4 -13.8 0.2 -28.6 73 9 E W E S+EF 87 91C 98 14,-2.9 14,-2.6 -2,-0.4 2,-0.4 -0.768 92.1 4.4-158.8 109.1 -12.8 -1.9 -25.6 74 10 E X E S-EF 86 90C 28 16,-2.5 16,-2.8 -2,-0.2 12,-0.2 -0.936 87.5 -65.3 126.7-141.0 -9.9 -4.3 -25.4 75 11 E W E S-EF 85 89C 134 10,-3.0 10,-2.3 -2,-0.4 2,-0.4 -0.721 91.9 -23.2-158.3 98.7 -7.1 -5.1 -27.8 76 12 E X E S-EF 84 88C 91 12,-3.0 12,-2.7 8,-0.2 2,-0.3 -0.816 92.9 -62.6 101.5-135.3 -7.8 -6.8 -31.1 77 13 E W E S+EF 83 87C 161 6,-2.6 6,-2.9 -2,-0.4 2,-0.4 -0.852 90.0 9.8-159.2 118.7 -10.9 -8.8 -31.7 78 14 E X E EF 82 86C 62 8,-2.2 8,-2.6 -2,-0.3 4,-0.2 -0.941 360.0 360.0 125.2-139.9 -12.1 -12.0 -30.0 79 15 E W 0 0 168 2,-3.0 6,-0.2 -2,-0.4 3,-0.1 -0.562 360.0 360.0-163.6 360.0 -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 0 180 0, 0.0 -2,-3.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 117.9 -10.9 -17.3 -30.6 82 2 F G E -E 78 0C 63 -4,-0.2 2,-0.3 1,-0.1 -4,-0.2 -0.475 360.0 -43.7 76.7-134.9 -9.6 -14.7 -33.1 83 3 F A E S-E 77 0C 55 -6,-2.9 -6,-2.6 -2,-0.2 2,-0.4 -0.772 97.3 -28.3-146.2 97.5 -6.8 -12.4 -32.1 84 4 F X E S-E 76 0C 110 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.863 87.9 -51.6 107.9-134.6 -6.7 -10.6 -28.7 85 5 F A E S-E 75 0C 29 -10,-2.3 -10,-3.0 -2,-0.4 2,-0.3 -0.942 87.6 -21.2-151.5 127.3 -9.5 -9.7 -26.4 86 6 F X E S-EF 74 78C 47 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.3 -0.626 93.7 -57.6 84.0-132.5 -12.7 -7.7 -26.9 87 7 F V E S-EF 73 77C 57 -14,-2.6 -14,-2.9 -2,-0.3 2,-0.4 -0.834 92.1 -3.0-156.9 111.5 -12.9 -5.3 -29.9 88 8 F X E S-EF 72 76C 57 -12,-2.7 -12,-3.0 -2,-0.3 2,-0.3 -0.872 87.3 -62.3 120.3-143.7 -10.7 -2.4 -30.7 89 9 F W E S-EF 71 75C 134 -18,-2.9 -18,-2.5 -2,-0.4 2,-0.4 -0.816 91.8 -23.1-155.3 108.6 -7.8 -0.8 -28.9 90 10 F X E S-EF 70 74C 55 -16,-2.8 -16,-2.5 -2,-0.3 -20,-0.3 -0.759 94.9 -60.7 94.6-132.8 -8.0 0.7 -25.5 91 11 F W E S+EF 69 73C 70 -22,-2.3 -22,-3.2 -2,-0.4 2,-0.4 -0.807 88.1 8.0-157.5 117.3 -11.4 2.0 -24.2 92 12 F X E S-EF 68 72C 64 -20,-2.3 -20,-2.6 -2,-0.3 -24,-0.2 -0.949 88.9 -60.2 128.8-140.2 -13.8 4.7 -25.6 93 13 F W E S-EF 67 71C 155 -26,-2.7 -26,-1.5 -2,-0.4 2,-0.5 -0.639 92.8 -37.4-152.4 89.3 -13.9 6.7 -28.7 94 14 F X E F 0 70C 96 -24,-2.5 -24,-2.8 -28,-0.2 -3,-0.2 -0.820 360.0 360.0 98.5-129.3 -10.9 9.0 -29.4 95 15 F W 0 0 188 -2,-0.5 -29,-0.3 -26,-0.2 -26,-0.2 -0.940 360.0 360.0-148.6 360.0 -9.3 10.8 -26.5