==== 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 3LO6 . 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) . 4354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 66.7 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 . 29 48.3 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 . 3 5.0 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+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 2 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 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 0 111 0, 0.0 2,-0.3 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 156.3 17.4 -10.1 -7.5 2 2 A a - 0 0 49 28,-0.2 2,-0.4 11,-0.0 28,-0.2 -0.836 360.0-154.6-118.6 164.2 14.0 -9.3 -8.8 3 3 A Y E -A 29 0A 108 26,-2.7 26,-3.0 -2,-0.3 2,-0.7 -0.999 20.4-133.9-143.0 136.3 13.1 -7.8 -12.2 4 4 A b E -A 28 0A 30 -2,-0.4 2,-0.4 24,-0.2 24,-0.2 -0.849 45.2-170.8 -85.4 113.6 10.3 -5.7 -13.7 5 5 A R E -A 27 0A 64 22,-2.9 22,-3.0 -2,-0.7 14,-0.1 -0.894 18.4-131.5-117.5 142.1 9.7 -7.7 -16.9 6 6 A I S S+ 0 0 110 -2,-0.4 20,-0.1 20,-0.2 -2,-0.0 -0.999 88.6 4.6-123.3 131.7 7.7 -7.3 -20.1 7 7 A P S S- 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.997 126.3 -38.4 -93.8 -10.0 5.8 -9.5 -21.3 8 8 A A - 0 0 55 19,-0.1 -2,-0.1 -4,-0.0 21,-0.1 -0.962 65.4 -73.2-164.7 168.3 6.2 -12.0 -18.5 9 9 A c - 0 0 35 -2,-0.3 2,-0.2 -4,-0.1 6,-0.1 -0.352 52.4-115.8 -67.0 158.1 8.5 -13.6 -16.0 10 10 A I > - 0 0 94 1,-0.1 3,-2.3 4,-0.1 -1,-0.1 -0.615 40.7 -78.5 -97.0 155.4 11.0 -16.1 -17.3 11 11 A A T 3 S+ 0 0 100 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.267 122.6 36.4 -47.6 132.3 11.1 -19.8 -16.5 12 12 A G T 3 S+ 0 0 77 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.276 106.5 87.5 97.7 -8.4 12.7 -20.2 -13.0 13 13 A E < - 0 0 23 -3,-2.3 -1,-0.4 16,-0.0 2,-0.3 -0.809 61.9-149.1-116.9 160.5 11.0 -17.0 -11.7 14 14 A R - 0 0 174 16,-2.5 16,-2.3 -2,-0.3 2,-0.6 -0.934 24.5-111.6-126.2 150.9 7.6 -16.3 -10.2 15 15 A R E +B 29 0A 147 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.736 35.4 169.2 -83.2 122.8 5.5 -13.2 -10.4 16 16 A Y E - 0 0 87 12,-3.2 37,-2.2 -2,-0.6 2,-0.3 0.402 62.1 -44.1-110.1 -4.1 5.2 -11.5 -7.0 17 17 A G E -BC 28 52A 13 11,-1.1 11,-2.5 35,-0.2 2,-0.3 -0.957 65.4 -70.8 171.3-151.9 3.6 -8.3 -8.2 18 18 A T E -BC 27 51A 33 33,-1.9 33,-3.0 -2,-0.3 2,-0.3 -0.959 24.7-152.8-140.6 146.7 3.5 -5.5 -10.8 19 19 A b E -BC 26 50A 0 7,-2.6 7,-2.4 -2,-0.3 2,-0.4 -0.922 4.7-154.3-118.7 156.3 5.6 -2.5 -11.8 20 20 A I E +BC 25 49A 74 29,-3.0 29,-1.9 -2,-0.3 2,-0.3 -0.999 22.2 166.2-125.7 125.3 4.6 0.7 -13.5 21 21 A Y E - C 0 48A 86 3,-2.5 3,-0.3 -2,-0.4 27,-0.2 -0.824 68.5 -26.6-150.3 86.4 7.4 2.3 -15.5 22 22 A Q S S- 0 0 136 25,-0.6 3,-0.1 -2,-0.3 26,-0.1 0.890 123.3 -41.9 74.9 49.7 6.5 5.1 -17.9 23 23 A G S S+ 0 0 80 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.484 120.1 108.1 82.0 4.7 2.9 4.4 -18.9 24 24 A R - 0 0 170 -3,-0.3 -3,-2.5 -18,-0.0 2,-0.3 -0.941 62.2-138.5-123.2 137.1 3.8 0.7 -19.1 25 25 A L E - B 0 20A 122 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.665 21.8-175.7 -92.2 146.2 2.9 -2.2 -17.0 26 26 A X E - B 0 19A 8 -7,-2.4 -7,-2.6 -2,-0.3 2,-0.4 -0.957 28.8-113.6-136.1 151.8 5.5 -4.9 -16.1 27 27 A A E -AB 5 18A 6 -22,-3.0 -22,-2.9 -2,-0.3 2,-0.7 -0.727 27.9-134.4 -78.3 134.4 5.4 -8.2 -14.2 28 28 A F E -AB 4 17A 17 -11,-2.5 -12,-3.2 -2,-0.4 -11,-1.1 -0.864 34.9-175.8 -92.8 117.4 7.5 -8.1 -10.9 29 29 A c E AB 3 15A 0 -26,-3.0 -26,-2.7 -2,-0.7 -14,-0.2 -0.903 360.0 360.0-125.3 135.8 9.5 -11.3 -11.0 30 30 A a 0 0 55 -16,-2.3 -16,-2.5 -2,-0.4 -28,-0.2 -0.973 360.0 360.0-136.7 360.0 11.9 -12.9 -8.6 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 0 111 0, 0.0 2,-0.3 0, 0.0 -29,-0.1 0.000 360.0 360.0 360.0 166.9 20.1 -2.5 -12.4 33 2 B d - 0 0 43 28,-0.2 2,-0.4 11,-0.0 28,-0.2 -0.806 360.0-155.1-107.3 164.1 16.8 -1.0 -11.2 34 3 B Y E -D 60 0A 113 26,-2.6 26,-3.0 -2,-0.3 2,-0.7 -1.000 20.3-136.1-141.8 138.7 15.3 -1.7 -7.8 35 4 B e E -D 59 0A 33 -2,-0.4 2,-0.4 24,-0.2 24,-0.2 -0.861 42.6-173.5 -87.9 116.6 11.9 -1.7 -6.2 36 5 B R E -D 58 0A 62 22,-2.8 22,-2.8 -2,-0.7 14,-0.2 -0.901 19.6-121.9-121.7 145.2 12.6 0.1 -2.8 37 6 B I S S- 0 0 85 -2,-0.4 20,-0.1 20,-0.2 -2,-0.0 -0.999 91.9 -0.4-124.6 128.2 10.7 0.9 0.3 38 7 B P S S- 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.977 125.5 -36.2 -84.2 -21.0 10.3 3.7 1.3 39 8 B A - 0 0 56 18,-0.1 -2,-0.1 19,-0.1 21,-0.1 -0.954 65.4 -69.5-160.6 167.2 12.2 5.6 -1.4 40 9 B f - 0 0 37 -2,-0.3 2,-0.2 -4,-0.1 6,-0.1 -0.248 48.6-122.7 -67.0 154.1 15.2 5.7 -3.9 41 10 B I > - 0 0 96 1,-0.2 3,-2.2 4,-0.1 -1,-0.1 -0.476 43.8 -66.5 -95.3 168.7 18.7 6.1 -2.5 42 11 B A T 3 S+ 0 0 103 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.270 124.0 28.2 -56.0 138.0 21.2 8.8 -3.4 43 12 B G T 3 S+ 0 0 85 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.206 107.2 93.8 91.9 -13.6 22.4 8.6 -7.0 44 13 B E < - 0 0 31 -3,-2.2 -1,-0.4 16,-0.0 2,-0.3 -0.667 58.9-152.1-104.2 161.5 19.1 7.1 -8.1 45 14 B R - 0 0 181 16,-2.6 16,-2.2 -2,-0.2 2,-0.7 -0.959 24.5-112.6-126.0 154.3 15.9 8.6 -9.5 46 15 B R E + E 0 60A 147 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.761 36.6 167.4 -85.6 118.4 12.3 7.3 -9.2 47 16 B Y E - 0 0 114 12,-2.8 -25,-0.6 -2,-0.7 2,-0.3 0.405 62.5 -31.3-108.9 -3.0 11.0 6.2 -12.6 48 17 B G E -CE 21 59A 13 11,-1.1 11,-2.5 -27,-0.2 2,-0.3 -0.945 66.4 -81.2 178.3-156.6 7.9 4.4 -11.5 49 18 B T E -CE 20 58A 32 -29,-1.9 -29,-3.0 -2,-0.3 2,-0.3 -0.969 24.2-155.2-137.8 145.9 6.1 2.3 -8.8 50 19 B e E -CE 19 57A 0 7,-2.5 7,-2.6 -2,-0.3 2,-0.5 -0.907 5.8-153.9-118.0 153.6 6.1 -1.3 -7.9 51 20 B I E -CE 18 56A 69 -33,-3.0 -33,-1.9 -2,-0.3 2,-0.5 -0.990 17.4-177.8-121.3 118.6 3.5 -3.3 -6.1 52 21 B Y E > -CE 17 55A 84 3,-2.9 3,-1.9 -2,-0.5 -35,-0.2 -0.956 68.5 -35.2-120.5 113.8 5.0 -6.3 -4.3 53 22 B Q T 3 S- 0 0 124 -37,-2.2 -1,-0.1 -2,-0.5 -36,-0.1 0.899 127.3 -40.5 42.2 48.1 2.6 -8.6 -2.4 54 23 B G T 3 S+ 0 0 74 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.555 116.9 112.1 85.0 4.0 0.4 -5.8 -1.4 55 24 B R E < - E 0 52A 141 -3,-1.9 -3,-2.9 -18,-0.0 2,-0.3 -0.930 62.7-129.9-114.7 136.1 3.1 -3.3 -0.6 56 25 B L E - E 0 51A 128 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.631 29.3-179.0 -83.9 140.9 3.9 -0.1 -2.6 57 26 B X E - E 0 50A 8 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.4 -0.955 29.7-114.9-134.9 153.3 7.5 0.5 -3.7 58 27 B A E -DE 36 49A 3 -22,-2.8 -22,-2.8 -2,-0.3 2,-0.7 -0.753 27.5-135.2 -79.9 135.5 9.4 3.2 -5.5 59 28 B F E -DE 35 48A 11 -11,-2.5 -12,-2.8 -2,-0.4 -11,-1.1 -0.862 33.6-172.6 -94.6 117.1 10.9 2.0 -8.8 60 29 B f E DE 34 46A 0 -26,-3.0 -26,-2.6 -2,-0.7 -14,-0.2 -0.899 360.0 360.0-122.1 134.8 14.4 3.3 -8.8 61 30 B d 0 0 56 -16,-2.2 -16,-2.6 -2,-0.4 -28,-0.2 -0.962 360.0 360.0-136.4 360.0 17.3 3.4 -11.4