==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 20-MAY-09 3HJ2 . COMPND 2 MOLECULE: HUMAN NEUTROPHIL PEPTIDE 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.LUBKOWSKI,M.PAZGIER,W.LU . 66 2 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 65.2 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 45.5 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 3.0 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 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.1 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 0 143 0, 0.0 35,-0.1 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 105.1 -4.0 19.3 -1.2 2 2 A G + 0 0 34 35,-0.5 3,-0.1 33,-0.5 34,-0.1 -0.248 360.0 84.7 99.9 168.6 -7.7 19.7 -2.0 3 3 A G S S+ 0 0 84 1,-0.3 2,-0.2 30,-0.2 35,-0.1 0.572 81.5 97.2 76.0 8.9 -10.0 18.3 -4.7 4 4 A A - 0 0 7 33,-0.4 33,-0.5 31,-0.4 -1,-0.3 -0.552 60.4-129.3-128.0-171.2 -10.6 15.1 -2.7 5 5 A b B -A 39 0A 14 34,-2.6 34,-2.2 -2,-0.2 33,-0.8 -0.751 9.0-159.2-139.9 173.4 -13.1 13.6 -0.3 6 6 A Y E -B 32 0B 39 26,-2.3 26,-3.2 -2,-0.2 2,-0.4 -0.928 22.0-116.0-150.3 171.4 -13.6 11.9 3.0 7 7 A c E +B 31 0B 30 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.958 35.7 177.0-116.3 135.9 -16.1 9.8 5.0 8 8 A R E -B 30 0B 26 22,-2.1 22,-2.7 -2,-0.4 14,-0.1 -0.993 23.9-116.7-144.8 142.1 -17.8 11.1 8.0 9 9 A I S S- 0 0 97 -2,-0.4 20,-0.1 20,-0.2 -2,-0.0 -0.994 91.9 -1.4-117.1 127.9 -20.4 10.1 10.6 10 10 A P S S- 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.999 126.4 -22.7 -98.0 -11.8 -23.0 11.5 10.9 11 11 A A S S- 0 0 55 19,-0.1 21,-0.1 -4,-0.1 -2,-0.1 -0.948 70.0 -77.7-154.3 167.1 -22.7 14.3 8.4 12 12 A d - 0 0 30 -2,-0.3 2,-0.2 1,-0.1 6,-0.1 -0.251 53.4 -95.4 -72.3 162.3 -20.2 16.4 6.3 13 13 A I > - 0 0 130 1,-0.1 3,-2.8 4,-0.1 -1,-0.1 -0.532 53.3 -87.0 -71.4 143.0 -18.2 19.3 7.8 14 14 A A T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.328 121.5 34.6 -45.0 132.8 -19.8 22.8 7.3 15 15 A G T 3 S+ 0 0 89 1,-0.5 -1,-0.3 -3,-0.1 2,-0.2 0.047 104.9 88.1 101.6 -23.8 -18.5 24.0 3.9 16 16 A E < - 0 0 31 -3,-2.8 -1,-0.5 16,-0.0 2,-0.4 -0.486 66.3-138.4-101.6 172.6 -18.5 20.5 2.4 17 17 A R - 0 0 175 -2,-0.2 16,-2.3 -3,-0.1 2,-0.7 -0.979 18.4-114.5-131.7 150.6 -21.3 18.7 0.6 18 18 A R E +C 32 0B 133 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.737 32.5 172.0 -86.0 118.9 -22.5 15.2 0.7 19 19 A Y E - 0 0 113 12,-2.7 40,-0.4 -2,-0.7 2,-0.3 0.601 60.9 -52.5-101.3 -13.9 -21.9 13.5 -2.7 20 20 A G E -C 31 0B 16 11,-1.3 11,-2.2 38,-0.1 2,-0.3 -0.900 69.7 -60.4 173.2-144.3 -22.9 9.9 -1.7 21 21 A T E -CD 30 57B 30 36,-2.3 36,-3.3 -2,-0.3 2,-0.4 -0.970 29.7-144.1-135.6 143.4 -22.1 7.2 0.8 22 22 A c E -CD 29 56B 0 7,-2.9 7,-2.3 -2,-0.3 2,-0.6 -0.862 3.7-153.6-103.1 146.9 -19.0 5.3 1.9 23 23 A I E +CD 28 55B 64 32,-3.3 32,-2.4 -2,-0.4 2,-0.4 -0.980 33.4 157.0-113.2 115.9 -19.0 1.7 3.0 24 24 A Y E > -C 27 0B 76 3,-2.5 3,-1.6 -2,-0.6 30,-0.1 -0.968 61.9 -10.9-148.6 123.7 -16.0 1.3 5.3 25 25 A Q T 3 S- 0 0 134 28,-0.4 3,-0.1 -2,-0.4 29,-0.1 0.805 125.2 -56.8 54.7 37.6 -15.3 -1.2 8.0 26 26 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.570 118.9 101.0 76.6 10.7 -18.8 -2.6 7.9 27 27 A R E < - C 0 24B 161 -3,-1.6 -3,-2.5 2,-0.0 2,-0.4 -0.867 69.6-123.3-120.2 156.7 -20.4 0.9 8.6 28 28 A L E - C 0 23B 117 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.873 32.0-178.9 -99.4 142.4 -22.0 3.4 6.3 29 29 A W E - C 0 22B 59 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.3 -0.914 34.3 -98.5-136.3 156.8 -20.7 7.0 6.2 30 30 A A E -BC 8 21B 2 -22,-2.7 -22,-2.1 -2,-0.3 2,-0.6 -0.607 33.4-138.2 -72.2 133.2 -21.4 10.2 4.5 31 31 A F E -BC 7 20B 9 -11,-2.2 -12,-2.7 -2,-0.3 -11,-1.3 -0.888 31.2-172.1 -94.5 118.8 -19.1 10.7 1.4 32 32 A d E BC 6 18B 10 -26,-3.2 -26,-2.3 -2,-0.6 -14,-0.2 -0.922 360.0 360.0-124.1 135.7 -18.1 14.4 1.6 33 33 A b 0 0 65 -16,-2.3 -30,-0.2 -2,-0.4 -15,-0.1 0.434 360.0 360.0-138.4 360.0 -16.2 16.7 -0.8 34 !* 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 35 1 B a 0 0 112 0, 0.0 -33,-0.5 0, 0.0 -31,-0.4 0.000 360.0 360.0 360.0 -14.7 -6.7 20.5 2.5 36 2 B G + 0 0 76 -35,-0.1 -31,-0.2 -34,-0.1 -34,-0.1 -0.372 360.0 10.7 73.6-149.1 -10.0 18.7 3.4 37 3 B G - 0 0 18 -33,-0.5 -35,-0.5 1,-0.1 -33,-0.4 -0.127 50.8-164.2 -60.6 154.5 -10.3 15.1 2.2 38 4 B A + 0 0 68 -33,-0.8 2,-0.2 -34,-0.1 -32,-0.1 0.305 60.3 85.9-118.4 3.5 -7.4 13.1 0.8 39 5 B e B -A 5 0A 16 -34,-2.2 -34,-2.6 28,-0.2 2,-0.3 -0.649 52.3-161.1-115.7 164.8 -9.3 10.2 -0.8 40 6 B Y E -E 66 0B 86 26,-2.9 26,-3.2 -2,-0.2 2,-0.5 -0.905 20.8-124.8-137.7 163.5 -11.1 9.4 -4.1 41 7 B f E +E 65 0B 25 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.965 38.6 179.5-110.1 125.5 -13.6 7.1 -5.6 42 8 B R E -E 64 0B 62 22,-2.3 22,-2.9 -2,-0.5 14,-0.1 -0.961 22.2-118.7-132.6 145.8 -12.3 5.3 -8.7 43 9 B I S S- 0 0 98 -2,-0.4 20,-0.1 20,-0.2 -2,-0.0 -0.999 91.2 -1.9-122.5 127.3 -13.4 2.7 -11.2 44 10 B P S S- 0 0 119 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.988 126.6 -24.9 -95.0 -16.9 -12.2 0.1 -11.5 45 11 B A - 0 0 56 19,-0.1 21,-0.1 -4,-0.1 -2,-0.1 -0.877 69.6 -76.7-149.6 168.8 -9.4 0.2 -9.0 46 12 B g - 0 0 36 -2,-0.3 2,-0.1 1,-0.1 6,-0.1 -0.291 45.9-121.6 -68.8 163.9 -7.1 2.6 -7.0 47 13 B I > - 0 0 95 1,-0.2 3,-1.5 4,-0.1 -1,-0.1 -0.396 46.0 -62.3 -94.3-179.0 -4.1 4.3 -8.6 48 14 B A T 3 S+ 0 0 98 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.382 122.7 30.1 -63.7 137.9 -0.4 4.0 -7.6 49 15 B G T 3 S+ 0 0 83 1,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.312 104.0 101.1 97.3 -5.0 0.3 5.4 -4.2 50 16 B E < - 0 0 37 -3,-1.5 2,-0.4 16,-0.0 -1,-0.4 -0.769 55.0-154.2-116.4 154.3 -3.1 4.5 -2.9 51 17 B R - 0 0 176 16,-2.9 16,-2.5 -2,-0.3 2,-0.5 -0.957 28.6-115.4-119.2 144.9 -4.6 1.9 -0.8 52 18 B R E + F 0 66B 128 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.696 32.6 174.5 -79.0 124.1 -8.2 0.8 -1.0 53 19 B Y E - 0 0 104 12,-3.1 -28,-0.4 -2,-0.5 2,-0.3 0.657 58.7 -57.2-102.9 -13.9 -10.1 1.6 2.2 54 20 B G E - F 0 65B 13 11,-1.1 11,-2.3 -30,-0.1 2,-0.3 -0.869 68.2 -56.7 167.1-148.7 -13.7 0.6 1.2 55 21 B T E -DF 23 64B 30 -32,-2.4 -32,-3.3 -2,-0.3 2,-0.4 -0.974 31.7-143.8-134.6 143.1 -16.3 1.4 -1.3 56 22 B f E -DF 22 63B 0 7,-2.7 7,-2.2 -2,-0.3 2,-0.6 -0.876 3.9-152.5-105.9 144.4 -18.1 4.5 -2.4 57 23 B I E +DF 21 62B 60 -36,-3.3 -36,-2.3 -2,-0.4 2,-0.4 -0.972 34.3 159.2-107.4 110.4 -21.7 4.6 -3.5 58 24 B Y E > - F 0 61B 73 3,-2.7 3,-1.6 -2,-0.6 -38,-0.1 -0.974 60.6 -14.2-142.6 123.3 -21.9 7.6 -5.9 59 25 B Q T 3 S- 0 0 134 -40,-0.4 3,-0.1 -2,-0.4 -39,-0.1 0.827 127.9 -49.2 52.8 39.5 -24.4 8.4 -8.6 60 26 B G T 3 S+ 0 0 76 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.539 119.8 87.9 85.4 3.4 -26.0 4.9 -8.5 61 27 B R E < S- F 0 58B 152 -3,-1.6 -3,-2.7 2,-0.0 2,-0.4 -0.900 71.9-107.9-135.3 178.7 -22.8 3.0 -8.7 62 28 B L E + F 0 57B 113 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.784 33.2 174.2-102.3 139.3 -20.0 1.4 -6.8 63 29 B W E - F 0 56B 60 -7,-2.2 -7,-2.7 -2,-0.4 2,-0.3 -0.926 37.9 -99.8-138.1 156.2 -16.4 2.7 -6.7 64 30 B A E -EF 42 55B 1 -22,-2.9 -22,-2.3 -2,-0.3 2,-0.7 -0.644 32.4-138.0 -73.8 130.8 -13.2 1.8 -5.0 65 31 B F E -EF 41 54B 11 -11,-2.3 -12,-3.1 -2,-0.3 -11,-1.1 -0.888 33.3-174.9 -95.3 114.8 -12.6 4.3 -2.0 66 32 B g E EF 40 52B 0 -26,-3.2 -26,-2.9 -2,-0.7 -14,-0.2 -0.938 360.0 360.0-123.5 136.4 -8.9 5.1 -2.3 67 33 B e 0 0 57 -16,-2.5 -16,-2.9 -2,-0.4 -28,-0.2 -0.987 360.0 360.0-135.6 360.0 -6.4 7.0 -0.1