==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 03-FEB-10 3LO9 . 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) . 4199.0 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 . 0 0 2 0 1 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 0 106 0, 0.0 2,-0.3 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 160.4 -17.6 10.4 -8.0 2 2 A a - 0 0 48 28,-0.2 2,-0.4 31,-0.2 28,-0.2 -0.809 360.0-157.1-106.2 159.6 -14.1 9.5 -9.0 3 3 A Y E -A 29 0A 113 26,-2.8 26,-3.1 -2,-0.3 2,-0.7 -0.998 20.7-134.2-139.3 140.0 -13.1 8.0 -12.4 4 4 A b E -A 28 0A 26 -2,-0.4 2,-0.3 24,-0.2 24,-0.2 -0.872 45.8-172.5 -89.5 112.4 -10.3 5.9 -13.9 5 5 A R E -A 27 0A 65 22,-3.0 22,-2.9 -2,-0.7 14,-0.1 -0.889 20.5-133.1-119.9 144.4 -9.6 7.9 -17.1 6 6 A I S S+ 0 0 76 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.991 88.5 7.2-125.3 137.4 -7.5 7.7 -20.3 7 7 A P S S- 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.998 125.9 -41.1 -92.0 -7.9 -5.9 9.8 -21.5 8 8 A A - 0 0 53 19,-0.1 -2,-0.1 -4,-0.0 21,-0.1 -0.979 62.7 -76.3-166.2 166.1 -6.2 12.3 -18.6 9 9 A c - 0 0 32 -2,-0.3 2,-0.2 -4,-0.1 6,-0.1 -0.396 51.7-121.3 -67.8 159.4 -8.5 13.8 -16.1 10 10 A I > - 0 0 100 1,-0.1 3,-2.3 4,-0.1 -1,-0.1 -0.593 38.5 -72.0-103.3 164.9 -10.9 16.4 -17.4 11 11 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.288 122.5 34.4 -55.5 138.2 -11.3 20.0 -16.3 12 12 A G T 3 S+ 0 0 84 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.227 107.2 91.0 94.2 -8.6 -12.9 20.4 -12.9 13 13 A E < - 0 0 41 -3,-2.3 -1,-0.4 16,-0.0 2,-0.4 -0.792 61.4-149.8-112.6 159.2 -11.1 17.2 -11.8 14 14 A R - 0 0 132 16,-2.6 16,-2.2 -2,-0.3 2,-0.6 -0.945 23.6-116.5-123.0 147.5 -7.7 16.6 -10.2 15 15 A R E +B 29 0A 134 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.749 35.4 169.4 -83.3 121.5 -5.5 13.5 -10.6 16 16 A Y E - 0 0 71 12,-3.1 37,-1.1 -2,-0.6 2,-0.3 0.414 60.0 -42.6-111.1 -3.7 -5.1 11.7 -7.2 17 17 A G E -BC 28 52A 15 11,-1.0 11,-2.3 35,-0.2 2,-0.3 -0.958 66.5 -71.1 170.5-156.0 -3.5 8.5 -8.3 18 18 A T E -BC 27 51A 36 33,-2.0 33,-3.3 -2,-0.3 2,-0.3 -0.969 26.0-149.6-133.7 144.7 -3.4 5.7 -10.9 19 19 A b E -BC 26 50A 0 7,-2.6 7,-2.4 -2,-0.3 2,-0.5 -0.912 5.2-152.1-110.1 151.6 -5.7 2.8 -11.8 20 20 A I E +BC 25 49A 74 29,-3.0 29,-2.0 -2,-0.3 2,-0.3 -0.992 37.3 148.2-118.6 119.7 -4.6 -0.5 -13.3 21 21 A Y E > +BC 24 48A 56 3,-2.4 3,-2.0 -2,-0.5 27,-0.2 -0.963 61.3 0.0-160.5 127.0 -7.5 -1.9 -15.3 22 22 A Q T 3 S- 0 0 128 25,-0.8 3,-0.1 -2,-0.3 26,-0.1 0.832 126.5 -59.9 58.5 37.7 -7.7 -4.0 -18.5 23 23 A G T 3 S+ 0 0 80 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.635 117.9 107.7 62.7 17.5 -3.9 -4.2 -18.7 24 24 A R E < S- B 0 21A 132 -3,-2.0 -3,-2.4 0, 0.0 2,-0.4 -0.893 70.6-124.4-125.3 154.6 -3.8 -0.5 -19.0 25 25 A L E - B 0 20A 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.797 33.3-177.6 -94.4 137.2 -2.7 2.4 -16.7 26 26 A X E - B 0 19A 26 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.4 -0.922 29.9-108.0-134.3 149.8 -5.4 5.0 -16.2 27 27 A A E -AB 5 18A 6 -22,-2.9 -22,-3.0 -2,-0.3 2,-0.7 -0.723 27.1-133.8 -73.4 136.7 -5.5 8.4 -14.2 28 28 A F E -AB 4 17A 14 -11,-2.3 -12,-3.1 -2,-0.4 -11,-1.0 -0.854 35.1-175.0 -92.9 112.8 -7.5 8.3 -11.0 29 29 A c E AB 3 15A 0 -26,-3.1 -26,-2.8 -2,-0.7 -14,-0.2 -0.907 360.0 360.0-120.5 134.7 -9.5 11.5 -11.2 30 30 A a 0 0 59 -16,-2.2 -16,-2.6 -2,-0.4 -28,-0.2 -0.980 360.0 360.0-140.6 360.0 -11.9 13.1 -8.7 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 0 107 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.8 -20.3 2.2 -12.4 33 2 B d - 0 0 44 28,-0.2 2,-0.4 -31,-0.1 28,-0.2 -0.835 360.0-165.0-107.7 153.2 -16.9 1.2 -11.1 34 3 B Y E -D 60 0A 115 26,-2.7 26,-3.1 -2,-0.3 2,-0.7 -0.996 23.0-134.7-140.0 135.5 -15.5 2.0 -7.6 35 4 B e E -D 59 0A 31 -2,-0.4 2,-0.3 24,-0.2 24,-0.2 -0.852 45.4-179.0 -85.4 118.4 -12.2 2.0 -5.9 36 5 B R E -D 58 0A 63 22,-3.2 22,-3.0 -2,-0.7 14,-0.1 -0.909 22.8-123.3-126.9 152.3 -12.9 0.2 -2.6 37 6 B I S S+ 0 0 85 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.972 88.3 5.3-125.8 141.5 -11.3 -0.9 0.6 38 7 B P S S- 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.976 123.9 -40.2 -86.6 -16.2 -11.2 -3.7 1.8 39 8 B A - 0 0 53 19,-0.1 -2,-0.1 -4,-0.0 21,-0.1 -0.970 65.8 -71.1-164.8 164.0 -12.8 -5.6 -1.1 40 9 B f - 0 0 34 -2,-0.3 2,-0.1 -4,-0.1 6,-0.1 -0.292 51.8-123.5 -64.5 153.2 -15.5 -5.5 -3.8 41 10 B I > - 0 0 98 1,-0.2 3,-2.2 4,-0.1 -1,-0.1 -0.435 42.4 -64.7 -96.5 170.3 -19.0 -6.0 -2.5 42 11 B A T 3 S+ 0 0 105 1,-0.3 -1,-0.2 -2,-0.1 3,-0.1 -0.289 124.7 27.9 -54.3 138.0 -21.6 -8.6 -3.5 43 12 B G T 3 S+ 0 0 85 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.355 107.9 92.0 87.9 -6.2 -22.6 -8.2 -7.2 44 13 B E < - 0 0 31 -3,-2.2 -1,-0.4 16,-0.0 2,-0.3 -0.760 58.4-154.2-107.0 160.8 -19.2 -6.7 -8.1 45 14 B R - 0 0 182 16,-2.5 16,-2.3 -2,-0.3 2,-0.6 -0.963 25.5-112.6-124.2 158.4 -16.1 -8.2 -9.3 46 15 B R E + E 0 60A 144 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.772 36.2 168.7 -88.8 119.2 -12.5 -6.9 -9.0 47 16 B Y E - 0 0 117 12,-2.9 -25,-0.8 -2,-0.6 2,-0.3 0.392 61.7 -33.7-109.7 -0.5 -11.1 -5.9 -12.4 48 17 B G E -CE 21 59A 13 11,-1.1 11,-2.3 -27,-0.2 2,-0.3 -0.947 65.9 -79.1 176.1-154.5 -8.0 -4.1 -11.2 49 18 B T E -CE 20 58A 28 -29,-2.0 -29,-3.0 -2,-0.3 2,-0.4 -0.985 20.4-149.2-141.5 141.3 -6.4 -1.9 -8.6 50 19 B e E -CE 19 57A 0 7,-2.8 7,-2.6 -2,-0.3 2,-0.5 -0.928 7.5-155.1-108.8 144.5 -6.3 1.8 -7.7 51 20 B I E +CE 18 56A 67 -33,-3.3 -33,-2.0 -2,-0.4 2,-0.5 -0.988 20.0 175.8-117.2 116.6 -3.3 3.5 -6.2 52 21 B Y E > -CE 17 55A 75 3,-2.8 3,-2.4 -2,-0.5 -35,-0.2 -0.974 63.0 -37.2-129.6 113.7 -4.3 6.5 -4.2 53 22 B Q T 3 S- 0 0 118 -37,-1.1 3,-0.1 -2,-0.5 -1,-0.1 0.827 127.0 -37.6 42.0 50.9 -1.9 8.6 -2.2 54 23 B G T 3 S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.507 118.6 110.5 87.3 1.9 0.1 5.6 -1.0 55 24 B R E < - E 0 52A 118 -3,-2.4 -3,-2.8 2,-0.0 2,-0.4 -0.914 58.9-139.3-115.8 143.7 -2.9 3.3 -0.6 56 25 B L E + E 0 51A 123 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.801 24.6 179.4-102.6 132.2 -4.0 0.3 -2.6 57 26 B X E - E 0 50A 34 -7,-2.6 -7,-2.8 -2,-0.4 2,-0.4 -0.956 31.1-109.8-129.8 152.4 -7.7 -0.1 -3.4 58 27 B A E -DE 36 49A 3 -22,-3.0 -22,-3.2 -2,-0.3 2,-0.8 -0.697 25.7-137.3 -76.7 135.6 -9.7 -2.8 -5.3 59 28 B F E -DE 35 48A 11 -11,-2.3 -12,-2.9 -2,-0.4 -11,-1.1 -0.862 32.3-172.9 -93.6 113.9 -11.1 -1.6 -8.6 60 29 B f E DE 34 46A 0 -26,-3.1 -26,-2.7 -2,-0.8 -14,-0.2 -0.862 360.0 360.0-118.4 133.9 -14.6 -3.0 -8.6 61 30 B d 0 0 51 -16,-2.3 -16,-2.5 -2,-0.4 -28,-0.2 -0.956 360.0 360.0-136.4 360.0 -17.4 -3.0 -11.3