==== 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 4GC2 . 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) . 23182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 67.3 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 . 196 36.0 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 . 72 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.2 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 . 3 0.6 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 3 10 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 0 166 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.9 49.7 -2.5 -13.3 2 3 A G - 0 0 68 484,-0.0 482,-0.1 0, 0.0 481,-0.0 -0.902 360.0 -59.0 173.7 153.8 49.2 -0.1 -10.5 3 4 A R - 0 0 117 -2,-0.3 2,-0.3 481,-0.1 16,-0.1 0.005 37.0-152.0 -57.2 146.0 51.2 2.4 -8.4 4 5 A T - 0 0 114 15,-0.0 2,-0.1 1,-0.0 -1,-0.1 -0.802 27.0-109.0-108.4 156.7 54.2 1.5 -6.3 5 6 A R - 0 0 86 -2,-0.3 15,-0.2 15,-0.1 14,-0.1 -0.470 24.6-157.7 -87.6 157.6 55.0 3.5 -3.2 6 7 A I E -a 20 0A 92 13,-1.8 15,-2.9 -2,-0.1 2,-0.1 -0.889 36.2 -83.7-125.5 160.5 58.0 5.9 -2.7 7 8 A P E -a 21 0A 104 0, 0.0 15,-0.2 0, 0.0 2,-0.2 -0.429 45.0-114.3 -68.0 136.8 59.6 7.1 0.5 8 9 A F + 0 0 6 13,-2.6 15,-0.1 -2,-0.1 3,-0.1 -0.463 34.1 175.5 -62.9 136.8 57.9 10.0 2.3 9 10 A N + 0 0 152 -2,-0.2 -1,-0.1 1,-0.1 13,-0.1 0.004 52.7 94.5-131.9 28.1 60.1 13.1 2.4 10 11 A G > + 0 0 19 3,-0.1 3,-2.2 5,-0.1 5,-0.2 -0.131 49.4 167.9-115.8 37.6 57.7 15.6 4.0 11 12 A V T 3 + 0 0 63 1,-0.3 17,-0.2 -3,-0.1 3,-0.1 -0.241 69.0 19.6 -56.2 130.6 58.7 15.3 7.6 12 13 A G T 3 S+ 0 0 22 15,-2.5 -1,-0.3 1,-0.4 16,-0.2 0.298 99.4 110.1 92.9 -11.0 57.2 18.1 9.7 13 14 A T S < S- 0 0 63 -3,-2.2 16,-2.1 14,-0.3 -1,-0.4 -0.340 75.3-118.0 -85.9 178.8 54.5 19.0 7.2 14 15 A S S S+ 0 0 6 14,-0.2 101,-2.6 -2,-0.1 2,-0.4 0.400 84.8 68.5-101.8 2.9 50.8 18.4 7.8 15 16 A V E -B 114 0B 23 -5,-0.2 99,-0.2 99,-0.2 -2,-0.1 -0.970 52.9-162.0-134.2 133.2 50.1 16.0 4.9 16 17 A L E -B 113 0B 0 97,-2.6 97,-2.6 -2,-0.4 3,-0.1 -0.935 30.6-143.8-105.3 109.0 51.0 12.4 4.0 17 18 A P > - 0 0 43 0, 0.0 3,-0.9 0, 0.0 63,-0.4 -0.251 30.1 -77.5 -71.4 163.9 50.3 12.0 0.3 18 19 A A T 3 S+ 0 0 8 91,-0.3 63,-0.2 1,-0.2 94,-0.1 -0.199 110.9 12.2 -55.6 144.9 49.0 8.9 -1.3 19 20 A Y T 3 S+ 0 0 13 61,-3.0 -13,-1.8 1,-0.2 2,-0.5 0.804 92.7 129.0 56.5 34.1 51.4 6.0 -2.0 20 21 A Q E < -a 6 0A 42 -3,-0.9 2,-0.7 60,-0.2 60,-0.4 -0.986 55.3-132.2-122.3 130.1 54.2 7.4 0.1 21 22 A T E -a 7 0A 29 -15,-2.9 -13,-2.6 -2,-0.5 2,-0.5 -0.685 14.1-162.3 -88.5 114.9 55.8 5.3 2.8 22 23 A L B -G 78 0C 1 56,-3.0 56,-2.5 -2,-0.7 2,-0.2 -0.834 18.5-169.8 -91.3 127.3 56.2 6.9 6.2 23 24 A S > - 0 0 51 -2,-0.5 3,-2.0 54,-0.2 16,-0.3 -0.607 34.7 -56.2-115.8 176.7 58.8 5.0 8.2 24 25 A A T 3 S+ 0 0 48 52,-0.4 16,-0.2 1,-0.3 -1,-0.2 -0.181 121.6 21.9 -57.0 136.9 60.0 4.9 11.8 25 26 A G T 3 S+ 0 0 51 14,-2.7 -1,-0.3 1,-0.4 2,-0.2 0.076 97.0 114.1 93.6 -23.7 61.2 8.3 13.2 26 27 A Q < + 0 0 32 -3,-2.0 13,-1.8 13,-0.2 -1,-0.4 -0.512 43.0 176.3 -79.2 151.4 59.2 10.2 10.6 27 28 A Y E -K 38 0D 73 11,-0.2 -15,-2.5 -2,-0.2 -14,-0.3 -0.988 28.0-134.5-153.3 154.6 56.3 12.5 11.6 28 29 A L E -K 37 0D 0 9,-2.1 9,-1.9 -2,-0.3 2,-0.4 -0.794 20.0-155.9-100.0 154.3 53.7 15.0 10.6 29 30 A L E -K 36 0D 29 -16,-2.1 7,-0.2 -2,-0.3 86,-0.2 -0.986 22.9-113.8-125.4 145.4 53.0 18.2 12.5 30 31 A S > - 0 0 0 5,-2.4 3,-2.1 -2,-0.4 86,-0.2 -0.323 38.6-105.5 -63.5 157.3 49.7 20.1 12.4 31 32 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 111,-0.1 0.915 125.4 50.7 -56.9 -36.9 50.1 23.6 10.8 32 33 A N T 3 S- 0 0 67 1,-0.1 -2,-0.1 0, 0.0 84,-0.0 0.517 109.9-128.9 -76.8 -3.2 50.0 25.2 14.2 33 34 A Q S < S+ 0 0 125 -3,-2.1 17,-0.1 2,-0.2 -1,-0.1 0.492 78.6 113.3 71.7 5.3 52.7 22.7 15.4 34 35 A R S S+ 0 0 113 15,-0.1 16,-2.7 16,-0.1 17,-0.4 0.904 70.9 50.0 -72.7 -40.8 50.7 21.7 18.4 35 36 A F E - L 0 49D 9 14,-0.2 -5,-2.4 15,-0.1 2,-0.4 -0.773 62.7-168.7-107.1 146.5 50.1 18.1 17.3 36 37 A K E -KL 29 48D 60 12,-2.0 12,-2.9 -2,-0.3 2,-0.7 -0.997 12.2-155.3-133.6 129.4 52.5 15.5 16.0 37 38 A L E -KL 28 47D 1 -9,-1.9 -9,-2.1 -2,-0.4 2,-0.4 -0.931 28.8-179.4-101.7 114.6 51.7 12.2 14.3 38 39 A L E -KL 27 46D 27 8,-3.6 8,-3.2 -2,-0.7 2,-0.8 -0.951 30.3-146.5-123.7 131.4 54.7 10.0 14.9 39 40 A L E - L 0 45D 0 -13,-1.8 -14,-2.7 -2,-0.4 6,-0.2 -0.877 32.2-148.4 -90.2 109.6 55.6 6.4 13.9 40 41 A Q > - 0 0 52 4,-2.9 3,-1.9 -2,-0.8 -16,-0.1 -0.405 20.7-117.1 -78.4 155.9 57.7 5.2 16.8 41 42 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.1 -17,-0.1 0.721 113.4 65.1 -63.0 -23.7 60.5 2.6 16.5 42 43 A D T 3 S- 0 0 78 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.414 122.5-104.9 -80.4 1.4 58.5 0.2 18.8 43 44 A G S < S+ 0 0 1 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.539 78.1 133.5 88.8 7.7 55.9 0.1 16.0 44 45 A N - 0 0 34 12,-0.0 -4,-2.9 14,-0.0 2,-0.6 -0.779 49.7-143.8 -90.2 132.8 53.3 2.3 17.6 45 46 A L E -L 39 0D 0 -2,-0.4 12,-2.5 12,-0.3 2,-0.3 -0.887 34.1-176.8 -93.5 121.3 51.6 5.0 15.5 46 47 A V E -LM 38 56D 3 -8,-3.2 -8,-3.6 -2,-0.6 2,-0.5 -0.891 30.9-151.8-131.7 141.7 51.1 7.9 17.9 47 48 A I E -LM 37 55D 0 8,-2.2 7,-2.5 -2,-0.3 8,-1.1 -0.964 21.0-161.2-107.2 130.3 49.7 11.3 18.1 48 49 A Q E -LM 36 53D 33 -12,-2.9 -12,-2.0 -2,-0.5 2,-0.7 -0.933 10.0-151.1-114.5 139.0 51.3 13.7 20.6 49 50 A D E > S-LM 35 52D 37 3,-3.3 3,-1.6 -2,-0.4 -14,-0.2 -0.926 84.2 -27.1-108.2 109.1 49.7 16.9 22.0 50 51 A N T 3 S- 0 0 131 -16,-2.7 -1,-0.2 -2,-0.7 -15,-0.1 0.870 132.9 -42.0 47.9 39.2 52.4 19.4 22.9 51 52 A G T 3 S+ 0 0 61 -17,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.356 118.3 106.4 98.3 -5.5 54.8 16.5 23.4 52 53 A A E < S-M 49 0D 55 -3,-1.6 -3,-3.3 2,-0.0 2,-0.3 -0.931 72.9-116.2-114.3 131.1 52.4 14.1 25.3 53 54 A T E +M 48 0D 68 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.416 40.8 161.4 -63.8 120.9 50.9 11.0 23.7 54 55 A V E + 0 0 77 -7,-2.5 2,-0.3 1,-0.3 -6,-0.2 0.354 62.4 32.5-121.0 1.6 47.1 11.3 23.6 55 56 A W E -M 47 0D 24 -8,-1.1 -8,-2.2 2,-0.0 2,-0.4 -0.952 54.6-169.9-161.9 141.0 46.4 8.6 21.0 56 57 A V E -M 46 0D 47 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.2 -0.998 32.2-116.1-133.8 133.0 47.6 5.3 19.8 57 58 A A + 0 0 0 -12,-2.5 -12,-0.3 -2,-0.4 2,-0.3 -0.582 62.5 127.8 -68.6 108.8 46.6 3.4 16.7 58 59 A N S > S- 0 0 53 -2,-0.7 3,-2.0 -14,-0.1 -2,-0.0 -0.911 73.5 -77.9-152.0-173.3 45.0 0.1 17.9 59 60 A E T 3 S+ 0 0 153 1,-0.3 5,-0.2 -2,-0.3 7,-0.1 0.712 117.4 67.0 -64.5 -22.8 42.0 -2.2 17.9 60 61 A Q T 3 S+ 0 0 171 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.410 75.3 108.4 -79.7 3.6 40.0 0.1 20.2 61 62 A Q S X S- 0 0 16 -3,-2.0 3,-0.7 1,-0.1 -4,-0.0 -0.734 76.9-116.8 -87.1 119.7 39.9 2.8 17.4 62 63 A P T 3 S+ 0 0 75 0, 0.0 36,-0.1 0, 0.0 3,-0.1 -0.177 94.5 14.2 -52.9 140.4 36.3 3.1 16.0 63 64 A F T 3 S+ 0 0 65 1,-0.2 35,-2.5 34,-0.1 2,-0.3 0.893 102.4 111.4 58.0 43.1 36.1 2.3 12.3 64 65 A S E < -H 97 0C 17 -3,-0.7 2,-0.3 33,-0.3 33,-0.2 -0.976 51.3-150.7-136.2 154.7 39.5 0.6 12.1 65 66 A S E -H 96 0C 26 31,-2.8 31,-2.7 -2,-0.3 2,-0.5 -0.924 2.8-155.0-122.9 149.6 40.4 -3.1 11.5 66 67 A T E +H 95 0C 43 -2,-0.3 29,-0.2 29,-0.2 -2,-0.0 -0.989 20.6 173.1-122.0 121.8 43.3 -5.1 12.6 67 68 A I E -H 94 0C 33 27,-2.4 27,-2.9 -2,-0.5 -2,-0.0 -0.846 37.3 -83.1-122.7 161.7 44.2 -8.2 10.5 68 69 A P E -H 93 0C 117 0, 0.0 2,-0.5 0, 0.0 25,-0.3 -0.231 28.1-158.0 -65.2 149.0 47.2 -10.6 10.7 69 70 A L + 0 0 21 23,-2.5 24,-0.0 19,-0.1 18,-0.0 -0.943 21.7 162.7-125.0 108.8 50.5 -9.9 9.1 70 71 A R + 0 0 67 -2,-0.5 2,-0.4 2,-0.0 -1,-0.1 0.663 40.8 111.6 -96.9 -21.0 52.5 -13.1 8.5 71 72 A N > - 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