==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 29-JUL-12 4GC1 . COMPND 2 MOLECULE: PUTIDACIN L1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP. BW11M1; . AUTHOR A.GARCIA-PINO,R.LORIS . 544 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 35.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 75 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 4 9 15 6 0 0 0 2 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 . 4 0 6 2 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 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 2 A A 0 0 169 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -51.7 49.5 -2.6 -13.4 2 3 A G - 0 0 61 484,-0.0 2,-0.2 0, 0.0 482,-0.1 -0.936 360.0 -63.5-161.5 176.8 49.5 -0.0 -10.7 3 4 A R - 0 0 115 -2,-0.3 2,-0.3 480,-0.1 16,-0.1 -0.521 42.7-158.7 -70.9 136.1 50.9 2.7 -8.5 4 5 A T - 0 0 113 -2,-0.2 2,-0.2 15,-0.1 479,-0.0 -0.818 22.7-103.7-113.4 161.9 53.9 1.8 -6.4 5 6 A R - 0 0 88 -2,-0.3 15,-0.2 15,-0.1 14,-0.1 -0.565 25.7-162.0 -90.5 146.8 55.0 3.7 -3.3 6 7 A I E -a 20 0A 95 13,-2.0 15,-2.8 -2,-0.2 2,-0.1 -0.803 37.8 -86.3-114.8 162.3 57.9 6.2 -3.0 7 8 A P E -a 21 0A 106 0, 0.0 2,-0.2 0, 0.0 15,-0.2 -0.474 44.0-112.5 -71.4 142.3 59.5 7.2 0.3 8 9 A F + 0 0 7 13,-2.5 15,-0.1 -2,-0.1 3,-0.1 -0.494 35.3 174.8 -66.2 136.7 57.9 10.2 2.2 9 10 A N + 0 0 153 -2,-0.2 -1,-0.1 1,-0.1 13,-0.1 -0.092 52.5 91.5-135.2 37.1 60.1 13.3 2.2 10 11 A G > + 0 0 19 3,-0.1 3,-2.1 5,-0.0 5,-0.2 -0.159 50.4 170.3-125.0 40.1 57.9 15.8 3.9 11 12 A V T 3 + 0 0 64 1,-0.3 17,-0.2 -3,-0.1 3,-0.1 -0.273 69.5 20.5 -55.6 129.0 58.8 15.5 7.6 12 13 A G T 3 S+ 0 0 22 15,-2.5 -1,-0.3 1,-0.4 16,-0.2 0.365 97.8 110.9 93.2 -6.4 57.2 18.3 9.7 13 14 A T S < S- 0 0 64 -3,-2.1 16,-2.2 14,-0.3 -1,-0.4 -0.398 75.7-117.3 -87.4 178.3 54.5 19.2 7.2 14 15 A S S S+ 0 0 6 14,-0.2 101,-2.7 -2,-0.1 2,-0.4 0.339 84.8 69.4-100.7 6.8 50.9 18.5 7.8 15 16 A V E -B 114 0B 23 -5,-0.2 99,-0.2 99,-0.2 -2,-0.1 -0.981 53.2-160.8-137.6 135.0 50.1 16.1 5.0 16 17 A L E -B 113 0B 0 97,-2.5 97,-2.5 -2,-0.4 3,-0.1 -0.940 30.2-143.1-107.7 105.9 51.0 12.6 4.0 17 18 A P > - 0 0 43 0, 0.0 3,-0.8 0, 0.0 63,-0.4 -0.223 31.0 -79.4 -66.1 161.4 50.4 12.2 0.2 18 19 A A T 3 S+ 0 0 6 91,-0.3 63,-0.2 1,-0.2 94,-0.1 -0.236 111.4 12.5 -53.8 143.2 49.0 9.1 -1.4 19 20 A Y T 3 S+ 0 0 13 61,-3.0 -13,-2.0 1,-0.2 2,-0.4 0.828 92.1 128.9 56.7 36.8 51.4 6.2 -2.0 20 21 A Q E < -a 6 0A 41 -3,-0.8 2,-0.7 60,-0.2 60,-0.4 -0.994 55.4-131.5-122.4 131.7 54.2 7.6 0.1 21 22 A T E -a 7 0A 28 -15,-2.8 -13,-2.5 -2,-0.4 2,-0.6 -0.700 13.5-160.3 -88.5 113.0 55.9 5.5 2.7 22 23 A L B -G 78 0C 1 56,-3.0 56,-2.2 -2,-0.7 2,-0.2 -0.827 19.9-167.9 -86.7 123.7 56.2 7.1 6.1 23 24 A S > - 0 0 51 -2,-0.6 3,-2.0 54,-0.2 16,-0.3 -0.564 33.6 -59.0-112.3 175.7 58.9 5.2 8.0 24 25 A A T 3 S+ 0 0 47 52,-0.5 16,-0.2 1,-0.3 -1,-0.1 -0.234 121.4 22.7 -60.9 134.6 60.1 5.1 11.6 25 26 A G T 3 S+ 0 0 53 14,-2.9 -1,-0.3 1,-0.4 2,-0.2 0.097 96.8 115.0 98.7 -21.8 61.3 8.4 13.0 26 27 A Q < + 0 0 32 -3,-2.0 13,-1.8 13,-0.2 -1,-0.4 -0.518 42.9 179.3 -80.7 151.3 59.3 10.4 10.5 27 28 A Y E -K 38 0D 73 11,-0.2 -15,-2.5 -2,-0.2 -14,-0.3 -0.982 27.1-135.8-152.2 154.7 56.4 12.7 11.6 28 29 A L E -K 37 0D 0 9,-2.2 9,-2.1 -2,-0.3 2,-0.4 -0.801 20.4-156.9-102.6 154.8 53.7 15.1 10.5 29 30 A L E -K 36 0D 24 -16,-2.2 7,-0.2 -2,-0.3 86,-0.2 -0.992 22.2-115.4-127.2 142.4 53.1 18.3 12.4 30 31 A S > - 0 0 0 5,-2.5 3,-2.4 -2,-0.4 86,-0.2 -0.340 38.9-104.9 -64.9 157.6 49.8 20.3 12.4 31 32 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 111,-0.1 0.877 124.9 51.9 -57.3 -32.7 50.2 23.8 10.9 32 33 A N T 3 S- 0 0 65 1,-0.1 -2,-0.1 3,-0.0 84,-0.0 0.443 109.0-128.4 -81.0 1.2 50.2 25.4 14.3 33 34 A Q S < S+ 0 0 120 -3,-2.4 17,-0.1 2,-0.2 -1,-0.1 0.470 79.9 112.6 69.3 2.3 52.9 22.9 15.4 34 35 A R S S+ 0 0 128 15,-0.1 16,-2.8 16,-0.1 17,-0.4 0.905 70.8 49.8 -70.8 -41.3 50.9 21.8 18.5 35 36 A F E - L 0 49D 10 14,-0.2 -5,-2.5 15,-0.1 2,-0.4 -0.801 63.3-169.3-106.7 142.7 50.2 18.3 17.3 36 37 A K E -KL 29 48D 64 12,-2.2 12,-3.1 -2,-0.4 2,-0.6 -0.995 11.9-154.7-129.0 132.2 52.7 15.7 16.0 37 38 A L E -KL 28 47D 0 -9,-2.1 -9,-2.2 -2,-0.4 2,-0.4 -0.940 28.0-177.3-104.9 117.0 51.9 12.4 14.3 38 39 A L E -KL 27 46D 27 8,-3.5 8,-3.2 -2,-0.6 2,-0.8 -0.953 30.1-150.1-126.8 127.9 54.8 10.1 14.9 39 40 A L E - L 0 45D 0 -13,-1.8 -14,-2.9 -2,-0.4 6,-0.2 -0.857 32.0-150.7 -89.7 107.8 55.7 6.6 13.8 40 41 A Q > - 0 0 51 4,-2.8 3,-1.8 -2,-0.8 -16,-0.1 -0.378 22.4-115.0 -78.8 158.7 57.9 5.3 16.6 41 42 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.1 -17,-0.1 0.701 113.3 64.5 -64.9 -21.3 60.7 2.8 16.3 42 43 A D T 3 S- 0 0 77 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.459 122.0-103.2 -82.1 -1.3 58.7 0.3 18.5 43 44 A G S < S+ 0 0 0 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.482 79.1 131.8 93.9 2.6 56.0 0.2 15.8 44 45 A N - 0 0 35 12,-0.0 -4,-2.8 14,-0.0 2,-0.6 -0.748 49.0-145.7 -87.0 134.4 53.5 2.4 17.5 45 46 A L E -L 39 0D 0 -2,-0.4 12,-2.3 12,-0.3 2,-0.3 -0.910 33.0-178.1 -99.1 121.3 51.9 5.1 15.5 46 47 A V E -LM 38 56D 2 -8,-3.2 -8,-3.5 -2,-0.6 2,-0.5 -0.855 31.3-149.1-130.1 145.5 51.3 8.0 17.8 47 48 A I E -LM 37 55D 0 8,-2.0 7,-2.8 -2,-0.3 8,-1.1 -0.983 21.5-161.7-110.5 127.9 49.8 11.5 18.1 48 49 A Q E -LM 36 53D 31 -12,-3.1 -12,-2.2 -2,-0.5 2,-0.6 -0.879 9.3-151.0-110.4 144.4 51.5 13.9 20.6 49 50 A D E > S-LM 35 52D 37 3,-3.1 3,-1.4 -2,-0.4 -14,-0.2 -0.943 84.3 -26.3-116.3 109.8 50.0 17.1 22.0 50 51 A N T 3 S- 0 0 86 -16,-2.8 -1,-0.2 -2,-0.6 -15,-0.1 0.893 132.9 -44.7 43.1 42.6 52.6 19.6 22.9 51 52 A G T 3 S+ 0 0 60 -17,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.419 117.3 112.4 92.4 0.9 54.9 16.6 23.3 52 53 A A E < S-M 49 0D 54 -3,-1.4 -3,-3.1 2,-0.0 2,-0.2 -0.931 70.6-119.2-111.7 125.1 52.5 14.4 25.3 53 54 A T E +M 48 0D 72 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.410 41.2 161.4 -64.1 123.5 51.2 11.2 23.7 54 55 A V E + 0 0 76 -7,-2.8 2,-0.3 1,-0.3 -6,-0.2 0.368 61.0 31.5-124.7 -1.3 47.4 11.4 23.5 55 56 A W E -M 47 0D 24 -8,-1.1 -8,-2.0 2,-0.0 2,-0.4 -0.968 53.5-172.3-158.0 141.6 46.6 8.7 20.9 56 57 A V E -M 46 0D 47 -2,-0.3 2,-0.8 -10,-0.2 -10,-0.2 -0.995 33.4-114.6-134.1 140.2 48.0 5.4 19.7 57 58 A A + 0 0 0 -12,-2.3 -12,-0.3 -2,-0.4 2,-0.3 -0.655 61.9 123.3 -76.0 110.9 46.8 3.5 16.7 58 59 A N S > S- 0 0 45 -2,-0.8 3,-2.1 -14,-0.1 -2,-0.0 -0.893 75.8 -72.5-153.5-170.4 45.2 0.2 17.9 59 60 A E T 3 S+ 0 0 123 1,-0.3 5,-0.2 -2,-0.3 7,-0.1 0.676 118.3 69.1 -64.9 -19.2 42.2 -2.1 17.9 60 61 A Q T 3 S+ 0 0 166 2,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.621 74.5 104.3 -75.6 -13.1 40.4 0.3 20.2 61 62 A Q S X S- 0 0 15 -3,-2.1 3,-0.7 1,-0.1 188,-0.1 -0.586 77.5-120.0 -73.5 119.4 40.1 3.0 17.5 62 63 A P T 3 S+ 0 0 79 0, 0.0 36,-0.1 0, 0.0 3,-0.1 -0.216 93.4 18.2 -54.3 145.8 36.5 3.2 16.1 63 64 A F T 3 S+ 0 0 72 1,-0.2 35,-2.7 34,-0.1 2,-0.3 0.864 102.7 108.9 55.0 41.9 36.2 2.5 12.3 64 65 A S E < -H 97 0C 18 -3,-0.7 2,-0.3 33,-0.3 33,-0.2 -0.957 52.1-151.6-135.4 159.6 39.6 0.8 12.1 65 66 A S E -H 96 0C 26 31,-2.8 31,-2.8 -2,-0.3 2,-0.4 -0.956 3.0-153.4-129.8 149.0 40.5 -2.9 11.5 66 67 A T E +H 95 0C 49 -2,-0.3 29,-0.2 29,-0.2 -2,-0.0 -0.993 21.1 172.9-121.6 125.8 43.4 -5.0 12.6 67 68 A I E -H 94 0C 35 27,-2.4 27,-2.4 -2,-0.4 -2,-0.0 -0.865 38.9 -82.2-127.2 160.3 44.4 -8.0 10.5 68 69 A P E -H 93 0C 115 0, 0.0 2,-0.6 0, 0.0 25,-0.3 -0.325 30.3-150.0 -62.6 140.3 47.3 -10.5 10.5 69 70 A L + 0 0 21 23,-1.5 5,-0.0 19,-0.1 18,-0.0 -0.967 18.0 176.2-108.6 114.7 50.6 -9.5 8.8 70 71 A R + 0 0 72 -2,-0.6 2,-0.7 1,-0.0 -1,-0.1 0.761 48.5 98.5 -89.2 -26.6 52.2 -12.7 7.5 71 72 A N > - 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