==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 03-FEB-10 3LO4 . COMPND 2 MOLECULE: NEUTROPHIL DEFENSIN 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.PAZGIER,W.LU . 60 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 68.3 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 . 30 50.0 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 . 2 3.3 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-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 . 7 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.7 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 . 1 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 A 0 0 74 0, 0.0 2,-0.3 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 151.5 12.8 -7.4 -12.9 2 2 A a B +A 33 0A 24 31,-0.7 31,-0.9 28,-0.2 2,-0.3 -0.779 360.0 172.1-101.4 142.6 10.3 -10.3 -12.3 3 3 A Y E -B 29 0B 107 26,-2.7 26,-3.4 -2,-0.3 2,-0.4 -0.904 32.3-119.1-138.0 158.1 9.8 -12.2 -9.0 4 4 A b E +B 28 0B 24 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.921 39.2 176.7-101.2 134.3 7.4 -14.8 -7.5 5 5 A R E -B 27 0B 70 22,-2.1 22,-3.1 -2,-0.4 14,-0.1 -0.991 25.2-109.1-140.7 142.0 5.6 -13.5 -4.4 6 6 A I S S- 0 0 99 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.982 92.9 -8.1-115.4 129.6 2.9 -14.8 -2.0 7 7 A P S S- 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.981 127.2 -22.0-105.7 1.9 0.1 -13.7 -1.9 8 8 A A S S- 0 0 54 19,-0.1 2,-0.1 -4,-0.0 19,-0.1 -0.940 70.6 -78.1-159.0 176.7 0.5 -10.7 -4.3 9 9 A c - 0 0 31 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.343 48.9-109.0 -79.3 163.2 2.9 -8.3 -5.8 10 10 A I > - 0 0 98 1,-0.2 3,-2.6 4,-0.1 -1,-0.1 -0.496 50.4 -68.1 -92.6 165.0 4.3 -5.4 -3.9 11 11 A A T 3 S+ 0 0 98 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.208 124.5 27.2 -53.0 140.5 3.5 -1.8 -4.5 12 12 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.048 105.3 97.7 91.4 -24.0 4.9 -0.6 -7.9 13 13 A E < - 0 0 35 -3,-2.6 2,-0.4 16,-0.0 -1,-0.3 -0.467 61.4-143.6 -93.5 167.3 4.8 -4.1 -9.4 14 14 A R - 0 0 175 16,-2.5 16,-2.5 -2,-0.1 2,-0.6 -0.991 18.8-120.4-128.6 143.4 2.1 -5.7 -11.6 15 15 A R E +C 29 0B 128 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.701 32.0 172.0 -82.2 116.5 1.0 -9.3 -11.5 16 16 A Y E - 0 0 112 12,-3.2 37,-0.4 -2,-0.6 2,-0.3 0.650 59.0 -50.1 -97.5 -17.9 1.6 -10.9 -14.9 17 17 A G E -C 28 0B 13 11,-1.2 11,-2.7 35,-0.1 2,-0.3 -0.905 68.9 -62.3 176.4-149.2 0.7 -14.6 -14.1 18 18 A T E -CD 27 51B 30 33,-2.2 33,-2.9 -2,-0.3 2,-0.4 -0.935 30.1-145.7-132.0 143.8 1.4 -17.4 -11.7 19 19 A b E -CD 26 50B 1 7,-2.5 7,-2.3 -2,-0.3 2,-0.6 -0.932 3.2-154.6-105.8 141.7 4.5 -19.3 -10.6 20 20 A I E +CD 25 49B 65 29,-3.2 29,-2.5 -2,-0.4 2,-0.4 -0.976 33.8 159.4-108.1 116.3 4.5 -22.9 -9.6 21 21 A Y E > -C 24 0B 78 3,-2.3 3,-1.6 -2,-0.6 27,-0.1 -0.944 60.6 -21.4-150.8 114.5 7.6 -23.2 -7.3 22 22 A Q T 3 S- 0 0 162 25,-0.4 3,-0.1 -2,-0.4 26,-0.1 0.828 124.0 -48.6 54.5 44.6 8.4 -25.8 -4.7 23 23 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.511 118.6 95.5 78.7 8.9 4.8 -27.0 -4.2 24 24 A A E < - C 0 21B 38 -3,-1.6 -3,-2.3 2,-0.0 2,-0.4 -0.910 69.8-121.2-128.6 161.5 3.2 -23.6 -3.8 25 25 A L E - C 0 20B 118 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.809 33.0-178.2-100.1 136.7 1.5 -21.1 -6.0 26 26 A W E - C 0 19B 64 -7,-2.3 -7,-2.5 -2,-0.4 2,-0.4 -0.935 32.7-107.3-134.0 156.0 2.8 -17.6 -6.4 27 27 A A E -BC 5 18B 2 -22,-3.1 -22,-2.1 -2,-0.3 2,-0.7 -0.666 31.5-136.0 -76.8 131.8 2.0 -14.3 -8.1 28 28 A F E -BC 4 17B 12 -11,-2.7 -12,-3.2 -2,-0.4 -11,-1.2 -0.888 32.8-168.5 -93.2 116.4 4.5 -13.7 -11.0 29 29 A c E BC 3 15B 0 -26,-3.4 -26,-2.7 -2,-0.7 -14,-0.2 -0.915 360.0 360.0-122.8 131.9 5.3 -10.1 -10.6 30 30 A a 0 0 56 -16,-2.5 -16,-2.5 -2,-0.4 -28,-0.2 -0.795 360.0 360.0-137.3 360.0 7.2 -7.6 -12.9 31 !* 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 32 1 B A 0 0 72 0, 0.0 2,-0.3 0, 0.0 -29,-0.1 0.000 360.0 360.0 360.0 165.7 16.7 -11.1 -13.1 33 2 B d B -A 2 0A 22 -31,-0.9 -31,-0.7 28,-0.2 2,-0.3 -0.681 360.0-169.8 -96.7 153.7 14.4 -14.1 -13.6 34 3 B Y E -E 60 0B 106 26,-2.8 26,-2.8 -2,-0.3 2,-0.5 -0.882 25.1-123.5-137.4 160.8 12.5 -14.9 -16.8 35 4 B e E +E 59 0B 27 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.960 40.1 177.1-107.9 129.4 9.8 -17.1 -18.2 36 5 B R E -E 58 0B 68 22,-2.1 22,-3.3 -2,-0.5 14,-0.1 -0.984 23.3-113.6-136.9 145.1 11.0 -19.1 -21.2 37 6 B I S S- 0 0 97 -2,-0.4 20,-0.1 20,-0.2 -2,-0.0 -0.994 90.6 -6.1-120.6 130.7 9.7 -21.8 -23.7 38 7 B P S S- 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.997 127.6 -20.2 -98.6 -5.3 10.8 -24.6 -23.9 39 8 B A - 0 0 53 19,-0.1 21,-0.1 -4,-0.0 -2,-0.1 -0.939 68.9 -83.3-155.5 165.4 13.7 -24.3 -21.5 40 9 B f - 0 0 27 -2,-0.3 2,-0.2 1,-0.1 6,-0.1 -0.208 52.6-106.7 -66.0 166.3 16.0 -21.9 -19.7 41 10 B I > - 0 0 95 1,-0.1 3,-1.6 4,-0.1 2,-0.1 -0.580 43.1 -82.7 -91.6 162.7 19.0 -20.8 -21.6 42 11 B A T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.468 122.1 43.0 -61.2 133.8 22.6 -22.0 -20.9 43 12 B G T 3 S+ 0 0 85 1,-0.4 2,-0.3 -2,-0.1 -1,-0.3 0.391 103.4 89.6 102.6 -0.2 23.8 -19.8 -18.0 44 13 B E < - 0 0 42 -3,-1.6 2,-0.4 -11,-0.0 -1,-0.4 -0.858 65.0-137.5-123.4 160.0 20.5 -20.1 -16.1 45 14 B R - 0 0 167 16,-3.1 16,-2.6 -2,-0.3 2,-0.5 -0.963 21.1-128.6-113.9 132.7 18.8 -22.4 -13.5 46 15 B R E + F 0 60B 109 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.720 27.6 174.9 -78.0 123.7 15.2 -23.6 -13.8 47 16 B Y E - 0 0 104 12,-3.0 -25,-0.4 -2,-0.5 2,-0.3 0.637 58.2 -57.9-100.7 -19.8 13.3 -22.9 -10.5 48 17 B G E - F 0 59B 13 11,-1.1 11,-2.8 -27,-0.1 2,-0.4 -0.887 69.3 -54.1 172.1-144.8 9.8 -23.9 -11.5 49 18 B T E -DF 20 58B 33 -29,-2.5 -29,-3.2 -2,-0.3 2,-0.4 -0.962 31.8-143.5-133.2 140.5 7.1 -23.1 -14.0 50 19 B e E -DF 19 57B 0 7,-2.8 7,-2.2 -2,-0.4 2,-0.6 -0.853 3.0-154.7 -99.2 144.1 5.3 -19.9 -15.1 51 20 B I E +DF 18 56B 70 -33,-2.9 -33,-2.2 -2,-0.4 2,-0.4 -0.988 33.8 163.7-109.2 108.8 1.6 -19.8 -16.1 52 21 B Y E > - F 0 55B 76 3,-2.4 3,-1.4 -2,-0.6 -35,-0.1 -0.949 58.6 -27.9-140.0 114.5 1.6 -16.8 -18.3 53 22 B Q T 3 S- 0 0 157 -37,-0.4 3,-0.1 -2,-0.4 -36,-0.1 0.854 123.8 -44.7 50.2 50.5 -1.1 -15.8 -20.8 54 23 B G T 3 S+ 0 0 86 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.542 120.6 93.2 80.9 6.1 -2.4 -19.3 -21.5 55 24 B A E < - F 0 52B 35 -3,-1.4 -3,-2.4 2,-0.0 2,-0.4 -0.904 69.4-123.4-128.2 157.4 1.0 -21.0 -21.9 56 25 B L E - F 0 51B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.854 33.1-179.9 -98.7 140.8 3.4 -22.9 -19.6 57 26 B W E - F 0 50B 64 -7,-2.2 -7,-2.8 -2,-0.4 2,-0.3 -0.939 33.9-104.3-139.2 153.1 7.0 -21.7 -19.3 58 27 B A E -EF 36 49B 1 -22,-3.3 -22,-2.1 -2,-0.3 2,-0.6 -0.640 33.3-135.8 -72.0 132.4 10.2 -22.6 -17.5 59 28 B F E -EF 35 48B 13 -11,-2.8 -12,-3.0 -2,-0.3 -11,-1.1 -0.876 35.3-175.2 -93.0 122.4 10.8 -20.1 -14.6 60 29 B f E EF 34 46B 0 -26,-2.8 -26,-2.8 -2,-0.6 -14,-0.2 -0.958 360.0 360.0-131.8 134.2 14.5 -19.3 -14.9 61 30 B d 0 0 66 -16,-2.6 -16,-3.1 -2,-0.4 -28,-0.2 -0.949 360.0 360.0-128.5 360.0 17.1 -17.3 -13.0