==== 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 16-MAR-10 3M7J . COMPND 2 MOLECULE: PUTIDACIN L1; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR R.LORIS,A.GARCIA-PINO . 541 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 68.0 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 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 3.0 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 . 1 0.2 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 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.9 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 3 10 16 5 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 4 A R 0 0 167 0, 0.0 2,-0.2 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 163.2 51.2 2.2 -8.9 2 5 A T - 0 0 124 1,-0.1 2,-0.2 15,-0.0 478,-0.0 -0.711 360.0 -99.7-118.0 163.4 53.9 1.9 -6.3 3 6 A R - 0 0 87 -2,-0.2 15,-0.2 15,-0.1 14,-0.1 -0.479 24.8-160.3 -86.8 149.2 55.0 3.8 -3.2 4 7 A I E -a 18 0A 93 13,-1.9 15,-2.8 -2,-0.2 2,-0.1 -0.877 37.3 -85.8-119.7 156.2 57.8 6.3 -2.8 5 8 A P E -a 19 0A 104 0, 0.0 15,-0.2 0, 0.0 2,-0.1 -0.353 46.4-110.2 -63.5 138.5 59.5 7.4 0.5 6 9 A F + 0 0 5 13,-2.9 15,-0.1 1,-0.1 3,-0.1 -0.424 36.5 174.6 -65.7 142.0 57.9 10.2 2.4 7 10 A N + 0 0 152 -2,-0.1 -1,-0.1 1,-0.1 13,-0.1 0.029 53.6 89.3-139.6 26.7 59.9 13.4 2.3 8 11 A G > + 0 0 18 3,-0.1 3,-2.5 5,-0.0 5,-0.2 -0.114 50.9 168.6-120.2 35.6 57.6 16.0 4.0 9 12 A V T 3 S+ 0 0 65 1,-0.3 17,-0.2 17,-0.1 3,-0.1 -0.247 70.9 20.7 -52.6 126.7 58.6 15.6 7.6 10 13 A G T 3 S+ 0 0 24 15,-2.3 -1,-0.3 1,-0.4 16,-0.2 0.299 98.5 112.5 95.2 -10.2 57.1 18.4 9.7 11 14 A T S < S- 0 0 63 -3,-2.5 16,-2.0 14,-0.3 -1,-0.4 -0.401 74.7-119.8 -85.6 173.0 54.4 19.3 7.2 12 15 A S S S+ 0 0 4 14,-0.2 101,-2.6 -2,-0.1 2,-0.4 0.424 85.8 67.6 -94.8 2.2 50.7 18.7 7.9 13 16 A V E -B 112 0B 25 99,-0.2 99,-0.2 -5,-0.2 -2,-0.1 -0.970 53.3-162.9-134.7 136.1 50.0 16.3 5.0 14 17 A L E -B 111 0B 1 97,-2.9 97,-2.5 -2,-0.4 3,-0.1 -0.938 29.3-143.0-112.3 106.4 51.0 12.8 4.0 15 18 A P > - 0 0 43 0, 0.0 3,-0.8 0, 0.0 63,-0.4 -0.148 30.8 -79.1 -67.3 163.2 50.2 12.3 0.3 16 19 A A T 3 S+ 0 0 9 91,-0.3 63,-0.2 1,-0.2 94,-0.1 -0.257 110.6 13.5 -57.0 144.7 48.9 9.1 -1.3 17 20 A Y T 3 S+ 0 0 11 61,-3.1 -13,-1.9 1,-0.2 2,-0.4 0.814 91.6 127.0 58.7 37.2 51.4 6.3 -2.0 18 21 A Q E < -a 4 0A 41 -3,-0.8 2,-0.6 -15,-0.2 60,-0.4 -0.995 57.2-128.0-125.7 130.9 54.2 7.7 0.1 19 22 A T E -a 5 0A 26 -15,-2.8 -13,-2.9 -2,-0.4 2,-0.5 -0.662 14.5-157.7 -85.9 117.4 55.9 5.6 2.8 20 23 A L B -G 76 0C 5 56,-3.1 56,-2.0 -2,-0.6 2,-0.2 -0.821 19.9-162.3 -89.7 124.0 56.2 7.1 6.3 21 24 A S > - 0 0 52 -2,-0.5 3,-2.2 54,-0.2 16,-0.3 -0.565 31.2 -67.5-106.9 170.2 59.0 5.5 8.2 22 25 A A T 3 S+ 0 0 49 52,-0.5 16,-0.2 1,-0.3 -1,-0.2 -0.242 121.5 23.0 -55.1 136.8 60.0 5.2 11.9 23 26 A G T 3 S+ 0 0 51 14,-3.0 -1,-0.3 1,-0.4 2,-0.2 0.236 97.8 116.3 88.9 -14.6 61.1 8.6 13.3 24 27 A Q < + 0 0 36 -3,-2.2 13,-1.9 13,-0.2 -1,-0.4 -0.575 42.0 175.1 -85.6 152.9 59.2 10.5 10.7 25 28 A Y E -K 36 0D 75 -2,-0.2 -15,-2.3 11,-0.2 -14,-0.3 -0.988 28.4-130.2-155.3 158.5 56.3 12.7 11.7 26 29 A L E -K 35 0D 0 9,-2.4 9,-2.0 -2,-0.3 2,-0.4 -0.807 18.6-154.7-105.4 154.6 53.6 15.3 10.7 27 30 A L E -K 34 0D 26 -16,-2.0 7,-0.2 -2,-0.3 86,-0.2 -0.997 21.6-119.1-126.7 134.4 53.0 18.6 12.4 28 31 A S > - 0 0 0 5,-2.2 3,-2.7 -2,-0.4 86,-0.2 -0.340 39.7-103.8 -60.6 154.2 49.7 20.4 12.4 29 32 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 111,-0.1 0.834 124.8 52.2 -54.4 -29.6 50.1 23.9 10.8 30 33 A N T 3 S- 0 0 65 1,-0.1 -2,-0.1 3,-0.0 84,-0.0 0.447 108.6-127.0 -87.5 -0.1 50.0 25.4 14.2 31 34 A Q S < S+ 0 0 123 -3,-2.7 17,-0.1 2,-0.2 -1,-0.1 0.402 80.7 110.6 76.3 -2.2 52.7 23.1 15.5 32 35 A R S S+ 0 0 108 15,-0.1 16,-2.5 16,-0.1 17,-0.4 0.930 71.2 49.5 -70.1 -45.6 50.7 21.9 18.5 33 36 A F E - L 0 47D 13 14,-0.2 -5,-2.2 15,-0.1 2,-0.4 -0.740 63.3-168.1-102.0 144.8 50.0 18.4 17.3 34 37 A K E -KL 27 46D 64 12,-2.0 12,-2.9 -2,-0.3 2,-0.6 -0.997 11.5-154.5-130.1 129.8 52.5 15.8 16.0 35 38 A L E -KL 26 45D 6 -9,-2.0 -9,-2.4 -2,-0.4 2,-0.4 -0.923 28.9-179.4-101.5 117.3 51.7 12.5 14.3 36 39 A L E -KL 25 44D 28 8,-3.5 8,-3.5 -2,-0.6 2,-0.8 -0.958 31.6-148.0-128.9 131.1 54.7 10.3 14.9 37 40 A L E - L 0 43D 0 -13,-1.9 -14,-3.0 -2,-0.4 -13,-0.2 -0.871 31.7-148.1 -91.7 107.4 55.6 6.7 13.9 38 41 A Q > - 0 0 54 4,-2.9 3,-2.0 -2,-0.8 -16,-0.1 -0.386 20.8-116.0 -75.8 154.1 57.7 5.5 16.9 39 42 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.1 2,-0.1 -17,-0.1 0.686 112.8 65.1 -62.1 -19.1 60.5 3.0 16.5 40 43 A D T 3 S- 0 0 79 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.353 122.7-100.8 -88.9 6.3 58.6 0.5 18.6 41 44 A G S < S+ 0 0 0 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.397 81.0 131.1 93.8 -2.6 55.9 0.2 16.0 42 45 A N - 0 0 35 12,-0.0 -4,-2.9 -5,-0.0 2,-0.6 -0.733 48.0-149.0 -85.5 128.2 53.4 2.5 17.7 43 46 A L E -L 37 0D 1 -2,-0.5 12,-2.4 12,-0.3 2,-0.3 -0.882 32.4-178.5 -94.9 121.2 51.8 5.3 15.5 44 47 A V E -LM 36 54D 2 -8,-3.5 -8,-3.5 -2,-0.6 2,-0.5 -0.882 31.9-145.5-132.0 149.4 51.1 8.1 17.9 45 48 A I E -LM 35 53D 1 8,-2.0 7,-2.7 -2,-0.3 8,-1.0 -0.964 21.6-160.9-110.9 130.0 49.6 11.6 18.2 46 49 A Q E -LM 34 51D 31 -12,-2.9 -12,-2.0 -2,-0.5 2,-0.7 -0.925 9.4-154.0-114.9 134.8 51.2 14.1 20.6 47 50 A D E > S-LM 33 50D 39 3,-3.1 3,-1.2 -2,-0.4 -14,-0.2 -0.919 84.8 -26.4-106.0 109.9 49.7 17.2 22.0 48 51 A N T 3 S- 0 0 128 -16,-2.5 -1,-0.2 -2,-0.7 -15,-0.1 0.845 133.0 -42.6 50.8 35.9 52.4 19.7 23.0 49 52 A G T 3 S+ 0 0 61 -17,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.465 118.5 107.4 96.4 3.5 54.8 16.8 23.4 50 53 A A E < S-M 47 0D 58 -3,-1.2 -3,-3.1 2,-0.0 -1,-0.2 -0.962 72.4-117.0-121.5 124.5 52.4 14.4 25.2 51 54 A T E +M 46 0D 72 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.330 40.0 161.6 -57.9 125.3 50.9 11.3 23.7 52 55 A V E + 0 0 66 -7,-2.7 2,-0.3 1,-0.3 -6,-0.2 0.324 63.4 32.8-125.3 0.3 47.1 11.6 23.6 53 56 A W E -M 45 0D 24 -8,-1.0 -8,-2.0 2,-0.0 2,-0.4 -0.972 55.0-170.0-160.2 142.0 46.3 8.9 21.0 54 57 A V E -M 44 0D 49 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.2 -0.999 31.7-117.1-136.7 133.0 47.6 5.6 19.9 55 58 A A + 0 0 0 -12,-2.4 -12,-0.3 -2,-0.4 2,-0.2 -0.580 62.2 123.2 -71.9 109.4 46.6 3.7 16.8 56 59 A N S > S- 0 0 49 -2,-0.7 3,-1.5 -14,-0.1 -2,-0.0 -0.858 75.3 -72.0-152.1-169.6 45.0 0.4 17.9 57 60 A E T 3 S+ 0 0 90 1,-0.3 5,-0.2 -2,-0.2 7,-0.1 0.715 118.5 65.7 -65.0 -23.8 42.0 -1.9 18.0 58 61 A Q T 3 S+ 0 0 158 2,-0.1 -1,-0.3 0, 0.0 -3,-0.1 0.713 74.6 107.1 -73.5 -20.0 40.1 0.4 20.2 59 62 A Q S X S- 0 0 17 -3,-1.5 3,-0.7 -5,-0.1 188,-0.1 -0.436 77.5-118.5 -64.4 122.5 39.9 3.1 17.5 60 63 A P T 3 S+ 0 0 75 0, 0.0 36,-0.1 0, 0.0 3,-0.1 -0.278 92.5 16.9 -58.7 144.4 36.4 3.3 16.1 61 64 A F T 3 S+ 0 0 73 1,-0.2 35,-2.5 34,-0.1 2,-0.3 0.877 102.5 109.2 57.1 42.3 36.0 2.6 12.4 62 65 A S E < -H 95 0C 17 -3,-0.7 2,-0.3 33,-0.3 33,-0.2 -0.971 52.7-148.7-138.7 156.0 39.4 0.9 12.1 63 66 A S E -H 94 0C 27 31,-2.9 31,-2.9 -2,-0.3 2,-0.4 -0.923 3.0-155.5-124.9 151.0 40.4 -2.8 11.5 64 67 A T E +H 93 0C 55 -2,-0.3 29,-0.2 29,-0.2 -2,-0.0 -0.989 19.5 171.3-125.6 123.1 43.3 -4.9 12.6 65 68 A I E -H 92 0C 32 27,-2.3 27,-2.8 -2,-0.4 -2,-0.0 -0.852 39.9 -83.5-124.0 162.1 44.2 -8.0 10.6 66 69 A P E -H 91 0C 111 0, 0.0 2,-0.6 0, 0.0 25,-0.3 -0.329 27.8-147.0 -66.3 143.7 47.3 -10.3 10.7 67 70 A L + 0 0 25 23,-1.7 24,-0.0 19,-0.2 5,-0.0 -0.939 20.4 174.9-108.1 106.2 50.5 -9.4 9.0 68 71 A R + 0 0 80 -2,-0.6 2,-0.9 1,-0.1 -1,-0.1 0.825 53.5 90.9 -81.1 -32.6 52.0 -12.8 7.9 69 72 A N > - 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