==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 21-MAY-09 3HJD . COMPND 2 MOLECULE: HUMAN NEUTROPHIL PEPTIDE 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.LUBKOWSKI,M.PAZGIER,W.LU . 60 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 56.7 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 . 24 40.0 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 . 6 10.0 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 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 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 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 0 115 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 20.1 29.5 34.4 2 2 A a - 0 0 58 28,-0.2 2,-0.3 11,-0.0 28,-0.2 -0.791 360.0-175.3-115.6 154.2 21.4 33.1 34.3 3 3 A Y E -A 29 0A 134 26,-2.5 26,-3.4 -2,-0.3 2,-0.5 -0.974 28.2-118.9-145.6 153.0 23.4 34.9 31.6 4 4 A b E +A 28 0A 32 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.869 42.8 178.2 -91.8 135.7 25.1 38.2 31.0 5 5 A R E -A 27 0A 76 22,-2.6 22,-3.0 -2,-0.5 14,-0.2 -0.961 19.2-117.0-142.3 145.9 23.6 40.0 28.0 6 6 A I S S+ 0 0 85 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.984 87.9 6.1-126.7 142.3 23.9 43.2 26.0 7 7 A P S S- 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -1.000 125.6 -37.4 -88.0 -7.5 22.1 45.5 25.6 8 8 A A - 0 0 50 19,-0.1 -2,-0.1 -4,-0.0 21,-0.1 -0.970 68.3 -72.5-166.3 165.4 19.4 44.2 28.0 9 9 A c - 0 0 18 -2,-0.3 2,-0.1 19,-0.1 6,-0.1 -0.433 55.1-115.9 -69.6 153.1 17.6 41.2 29.3 10 10 A I > - 0 0 84 1,-0.2 3,-2.0 4,-0.1 2,-0.1 -0.423 43.3 -74.6 -86.6 164.4 15.2 39.6 26.9 11 11 A A T 3 S+ 0 0 42 1,-0.3 -1,-0.2 -2,-0.1 23,-0.1 -0.382 123.3 32.2 -58.3 135.6 11.5 39.4 27.4 12 12 A G T 3 S+ 0 0 79 21,-0.5 2,-0.3 1,-0.5 -1,-0.3 0.346 103.0 94.9 95.9 -6.7 10.8 36.7 30.0 13 13 A E < - 0 0 35 -3,-2.0 -1,-0.5 22,-0.0 2,-0.4 -0.796 65.4-139.6-113.1 159.6 14.0 37.3 31.9 14 14 A R - 0 0 97 16,-3.5 16,-2.6 -2,-0.3 2,-0.5 -0.956 16.5-123.4-119.7 140.5 14.5 39.5 34.9 15 15 A R E +B 29 0A 100 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.727 32.2 168.9 -83.9 125.7 17.5 41.7 35.5 16 16 A Y E - 0 0 85 12,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.392 60.0 -45.7-114.0 -3.2 19.3 40.9 38.8 17 17 A G E -B 28 0A 27 11,-1.0 11,-2.2 2,-0.0 2,-0.3 -0.981 65.1 -68.9 167.7-157.5 22.4 43.0 38.4 18 18 A T E -B 27 0A 69 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.977 28.6-144.5-135.6 134.4 25.3 44.0 36.1 19 19 A b E -B 26 0A 8 7,-2.5 7,-2.5 -2,-0.3 2,-0.5 -0.874 10.2-161.3 -95.4 142.9 28.3 41.9 34.8 20 20 A X E +B 25 0A 150 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.939 42.4 108.1-132.9 92.1 31.7 43.7 34.4 21 21 A Y E > +B 24 0A 117 3,-1.7 3,-1.9 -2,-0.5 -2,-0.1 -0.959 56.5 33.8-151.5 168.0 33.9 41.8 32.1 22 22 A Q T 3 S- 0 0 144 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.808 126.2 -62.8 51.3 33.1 35.5 41.9 28.6 23 23 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.523 116.7 73.5 78.0 5.8 35.7 45.7 28.8 24 24 A R E < S- B 0 21A 128 -3,-1.9 -3,-1.7 0, 0.0 2,-0.4 -0.923 78.2-102.7-143.8 169.0 32.0 46.5 29.0 25 25 A L E - B 0 20A 113 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.779 36.6-172.8 -89.6 141.7 28.9 46.4 31.3 26 26 A W E - B 0 19A 43 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.4 -0.912 28.2-109.8-128.8 152.0 26.3 43.6 30.7 27 27 A A E -AB 5 18A 4 -22,-3.0 -22,-2.6 -2,-0.3 2,-0.7 -0.726 26.6-138.0 -75.5 135.1 22.9 42.9 32.2 28 28 A F E -AB 4 17A 77 -11,-2.2 -12,-3.1 -2,-0.4 -11,-1.0 -0.876 32.4-171.1 -97.0 115.3 22.9 39.9 34.5 29 29 A c E AB 3 15A 0 -26,-3.4 -26,-2.5 -2,-0.7 -14,-0.2 -0.929 360.0 360.0-123.7 132.8 19.7 38.2 33.6 30 30 A a 0 0 48 -16,-2.6 -16,-3.5 -2,-0.4 -28,-0.2 -0.886 360.0 360.0-134.0 360.0 17.8 35.2 35.1 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 99 0, 0.0 2,-0.3 0, 0.0 -22,-0.0 0.000 360.0 360.0 360.0 144.8 7.2 41.8 24.3 33 2 B d - 0 0 41 28,-0.2 -21,-0.5 11,-0.0 2,-0.3 -0.910 360.0-168.7-116.0 148.9 6.8 43.1 27.9 34 3 B Y E -C 60 0B 81 26,-2.4 26,-3.0 -2,-0.3 2,-0.5 -0.973 23.0-123.9-138.2 151.2 9.6 44.2 30.2 35 4 B e E +C 59 0B 33 -2,-0.3 2,-0.3 -22,-0.3 24,-0.2 -0.808 39.3 177.2 -96.0 130.3 9.9 45.0 33.9 36 5 B R E -C 58 0B 66 22,-2.4 22,-3.2 -2,-0.5 14,-0.1 -0.977 23.1-117.9-135.0 148.7 11.4 48.5 34.5 37 6 B I S S+ 0 0 66 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.997 91.3 1.6-126.8 128.8 12.2 50.9 37.3 38 7 B P S S- 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.989 126.0 -28.9 -97.8 -7.8 11.0 53.6 37.8 39 8 B A - 0 0 55 19,-0.1 -2,-0.1 -4,-0.0 21,-0.1 -0.980 64.3 -80.2-162.7 166.7 8.5 53.6 34.9 40 9 B f - 0 0 30 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.350 53.5 -99.8 -71.8 159.5 7.7 52.4 31.4 41 10 B I > - 0 0 98 1,-0.1 3,-2.9 4,-0.1 -1,-0.1 -0.526 51.5 -87.1 -76.8 143.9 9.3 54.2 28.4 42 11 B A T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.289 121.3 35.9 -53.2 130.3 7.0 56.7 26.6 43 12 B G T 3 S+ 0 0 87 1,-0.5 -1,-0.3 -3,-0.1 2,-0.2 0.127 97.9 102.1 107.3 -23.0 5.0 54.7 24.1 44 13 B E < - 0 0 53 -3,-2.9 2,-0.5 16,-0.0 -1,-0.5 -0.566 68.6-126.9 -87.9 163.4 4.7 51.6 26.3 45 14 B R - 0 0 166 16,-2.8 16,-2.9 -2,-0.2 2,-0.6 -0.946 13.4-135.9-110.8 126.8 1.6 50.6 28.3 46 15 B R E +D 60 0B 135 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.738 30.0 168.2 -82.8 122.5 1.9 49.9 32.0 47 16 B Y E - 0 0 146 12,-2.6 2,-0.3 -2,-0.6 -1,-0.1 0.487 57.1 -45.9-112.9 -11.3 -0.1 46.7 32.8 48 17 B G E -D 59 0B 26 11,-0.9 11,-2.6 2,-0.0 2,-0.4 -0.964 65.6 -69.1 177.7-150.2 0.9 45.8 36.3 49 18 B T E -D 58 0B 66 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 27.9-144.6-136.2 129.8 3.8 45.5 38.6 50 19 B e E -D 57 0B 5 7,-2.4 7,-2.3 -2,-0.4 2,-0.5 -0.732 14.8-155.5 -87.5 146.9 6.6 42.8 38.7 51 20 B X E +D 56 0B 133 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.870 39.2 117.8-128.5 104.0 7.7 41.8 42.2 52 21 B Y E > +D 55 0B 18 3,-1.9 3,-2.0 -2,-0.5 -2,-0.0 -0.989 58.2 28.6-158.5 167.6 11.3 40.3 42.4 53 22 B Q T 3 S- 0 0 95 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.843 127.7 -64.1 45.8 42.6 14.7 41.0 44.0 54 23 B G T 3 S+ 0 0 85 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.635 115.5 97.9 65.2 18.7 12.9 42.8 46.8 55 24 B R E < S- D 0 52B 135 -3,-2.0 -3,-1.9 2,-0.0 2,-0.4 -0.929 70.2-122.9-138.4 157.4 11.5 45.5 44.6 56 25 B L E - D 0 51B 112 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.814 31.8-172.7 -94.2 136.8 8.4 46.5 42.6 57 26 B W E - D 0 50B 32 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.3 -0.962 29.4-108.3-128.5 148.9 8.9 47.2 38.9 58 27 B A E -CD 36 49B 3 -22,-3.2 -22,-2.4 -2,-0.3 2,-0.7 -0.608 27.1-138.6 -72.8 134.7 6.6 48.6 36.3 59 28 B F E -CD 35 48B 73 -11,-2.6 -12,-2.6 -2,-0.3 -11,-0.9 -0.891 28.0-168.1 -97.3 113.9 5.4 45.8 33.9 60 29 B f E CD 34 46B 0 -26,-3.0 -26,-2.4 -2,-0.7 -14,-0.2 -0.924 360.0 360.0-118.8 122.6 5.6 47.6 30.5 61 30 B d 0 0 37 -16,-2.9 -16,-2.8 -2,-0.5 -28,-0.2 -0.591 360.0 360.0-130.9 360.0 4.0 46.2 27.2