==== 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 22-FEB-10 3LVX . 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) . 4210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 70.0 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 . 28 46.7 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 . 1 1.7 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 . 8 13.3 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 1 1 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 90 0, 0.0 2,-0.4 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 149.1 -11.0 7.6 21.6 2 2 A a + 0 0 28 31,-0.5 31,-2.7 28,-0.2 2,-0.3 -0.833 360.0 171.1-111.6 141.0 -12.3 9.8 24.5 3 3 A Y E -A 29 0A 102 26,-2.4 26,-3.1 -2,-0.4 2,-0.6 -0.959 35.7-115.4-142.0 154.8 -13.0 13.5 24.5 4 4 A b E +A 28 0A 19 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.858 46.8 178.3 -96.3 122.9 -14.6 16.0 26.9 5 5 A R E -A 27 0A 73 22,-3.0 22,-3.1 -2,-0.6 14,-0.2 -0.871 16.7-106.8-134.3 154.3 -17.8 17.3 25.4 6 6 A A S S- 0 0 49 -2,-0.3 20,-0.1 20,-0.2 4,-0.0 -0.960 83.7 -2.8-132.8 152.2 -20.8 19.6 26.0 7 7 A P S S- 0 0 139 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.986 127.2 -35.3 -82.8 -5.1 -23.7 19.7 26.5 8 8 A A S S- 0 0 59 19,-0.1 -2,-0.1 18,-0.0 21,-0.1 -0.957 76.5 -68.2-162.4 168.5 -23.7 15.9 26.3 9 9 A c - 0 0 29 -2,-0.3 2,-0.3 -4,-0.1 6,-0.1 -0.344 55.2-106.5 -63.2 150.8 -22.0 13.1 24.4 10 10 A I > - 0 0 102 1,-0.1 3,-2.5 4,-0.1 -1,-0.1 -0.629 49.9 -89.7 -77.7 135.8 -22.9 12.8 20.7 11 11 A A T 3 S+ 0 0 102 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.150 118.5 40.6 -51.7 138.0 -25.2 9.8 20.1 12 12 A G T 3 S+ 0 0 88 1,-0.6 -1,-0.3 -3,-0.1 2,-0.2 -0.097 100.1 92.9 105.7 -31.7 -23.1 6.7 19.3 13 13 A E S < S- 0 0 50 -3,-2.5 -1,-0.6 16,-0.0 2,-0.4 -0.572 70.3-137.5 -85.3 156.8 -20.6 7.7 22.1 14 14 A R - 0 0 173 16,-2.9 16,-2.6 -2,-0.2 2,-0.3 -0.941 16.3-123.1-115.7 142.8 -21.0 6.5 25.6 15 15 A R E -B 29 0A 146 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.673 20.2-173.5 -87.6 137.2 -20.5 8.7 28.7 16 16 A Y E - 0 0 88 12,-3.0 35,-0.1 -2,-0.3 2,-0.1 -0.761 60.3 -64.3-127.8 81.7 -17.9 7.7 31.3 17 17 A G E S- 0 0 16 -2,-0.3 11,-1.7 33,-0.1 -1,-0.3 -0.325 74.1 -66.1 70.1-154.9 -18.4 10.2 34.1 18 18 A T E -BC 27 51A 28 33,-2.3 33,-2.6 9,-0.3 2,-0.4 -0.831 30.4-144.0-131.3 166.0 -17.8 14.0 33.8 19 19 A b E -BC 26 50A 0 7,-2.1 7,-2.8 -2,-0.3 2,-0.8 -0.994 13.0-140.4-136.7 126.2 -14.8 16.3 33.2 20 20 A I E +BC 25 49A 61 29,-3.4 29,-1.4 -2,-0.4 2,-0.4 -0.820 33.2 175.8 -88.9 111.8 -14.5 19.8 34.7 21 21 A Y E > -BC 24 48A 61 3,-2.7 3,-2.0 -2,-0.8 27,-0.2 -0.985 65.3 -9.5-128.4 124.7 -13.0 21.8 31.9 22 22 A Q T 3 S- 0 0 153 25,-0.5 -1,-0.2 -2,-0.4 3,-0.1 0.810 130.5 -58.7 51.8 31.3 -12.4 25.5 32.1 23 23 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.603 116.2 114.7 80.8 9.5 -14.3 25.3 35.3 24 24 A R E < S- B 0 21A 168 -3,-2.0 -3,-2.7 -5,-0.0 2,-0.9 -0.873 71.5-115.6-116.5 144.9 -17.5 23.9 33.6 25 25 A L E + B 0 20A 118 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.721 46.1 166.6 -86.1 107.2 -19.0 20.5 34.1 26 26 A W E - B 0 19A 79 -7,-2.8 -7,-2.1 -2,-0.9 2,-0.4 -0.550 36.6 -98.7-111.2 174.4 -18.8 18.6 30.8 27 27 A A E -AB 5 18A 7 -22,-3.1 -22,-3.0 -9,-0.3 2,-0.7 -0.814 21.5-136.5 -98.4 138.4 -19.3 14.9 29.8 28 28 A F E -A 4 0A 11 -11,-1.7 -12,-3.0 -2,-0.4 2,-0.4 -0.851 35.3-171.8 -95.5 116.4 -16.4 12.5 29.3 29 29 A c E AB 3 15A 1 -26,-3.1 -26,-2.4 -2,-0.7 -14,-0.2 -0.940 360.0 360.0-125.5 129.4 -17.3 10.7 26.1 30 30 A a 0 0 59 -16,-2.6 -16,-2.9 -2,-0.4 -28,-0.2 -0.925 360.0 360.0-129.2 360.0 -15.8 7.7 24.3 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 55 0, 0.0 2,-0.2 0, 0.0 -29,-0.2 0.000 360.0 360.0 360.0-179.7 -7.5 12.0 22.5 33 2 B d - 0 0 11 -31,-2.7 -31,-0.5 28,-0.2 2,-0.3 -0.631 360.0-167.6-125.3 165.5 -7.9 12.2 26.3 34 3 B Y E -D 60 0A 114 26,-2.6 26,-3.0 -2,-0.2 2,-0.5 -0.954 23.9-129.2-145.8 157.3 -7.7 10.1 29.5 35 4 B e E -D 59 0A 27 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.982 40.7-178.8-111.0 119.5 -8.6 10.3 33.1 36 5 B R E -D 58 0A 68 22,-2.8 22,-3.1 -2,-0.5 14,-0.2 -0.900 18.1-119.0-126.7 147.5 -5.5 9.4 35.1 37 6 B A S S+ 0 0 67 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.999 89.8 1.4-133.4 135.0 -4.5 9.1 38.8 38 7 B P S S- 0 0 134 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.983 128.3 -35.4 -84.4 -14.7 -2.6 10.5 40.4 39 8 B A - 0 0 55 19,-0.1 -2,-0.1 18,-0.1 21,-0.1 -0.940 69.5 -67.2-158.5 171.3 -1.6 12.8 37.5 40 9 B f - 0 0 32 -2,-0.3 2,-0.2 -4,-0.1 6,-0.1 -0.349 50.2-118.1 -65.6 151.2 -1.0 13.1 33.8 41 10 B I > - 0 0 92 1,-0.1 3,-2.3 4,-0.1 -1,-0.1 -0.571 44.1 -79.8 -85.7 154.3 1.9 11.3 32.2 42 11 B A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.274 122.4 36.1 -50.7 133.5 4.7 13.2 30.5 43 12 B G T 3 S+ 0 0 87 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.225 101.7 90.4 102.0 -13.3 3.6 14.2 27.0 44 13 B E < - 0 0 31 -3,-2.3 2,-0.3 16,-0.0 -1,-0.3 -0.957 67.1-142.8-113.8 135.7 -0.1 14.8 28.2 45 14 B R - 0 0 167 16,-2.8 16,-2.5 -2,-0.4 2,-0.6 -0.727 21.8-116.2 -93.2 144.5 -1.3 18.2 29.4 46 15 B R E + E 0 60A 151 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.739 35.0 171.7 -81.2 123.3 -3.8 18.5 32.2 47 16 B Y E - 0 0 91 12,-2.9 -25,-0.5 -2,-0.6 2,-0.3 0.296 59.1 -55.0-112.6 4.9 -7.0 20.1 31.0 48 17 B G E -CE 21 59A 9 11,-0.9 11,-2.4 -27,-0.2 2,-0.4 -0.997 67.6 -57.6 155.6-155.1 -9.2 19.6 34.1 49 18 B T E -CE 20 58A 41 -29,-1.4 -29,-3.4 -2,-0.3 2,-0.3 -0.992 36.3-144.9-131.6 130.4 -10.5 17.1 36.5 50 19 B e E -CE 19 57A 0 7,-2.4 7,-1.9 -2,-0.4 2,-0.5 -0.729 1.0-156.5 -90.4 150.0 -12.6 13.9 35.8 51 20 B I E +CE 18 56A 68 -33,-2.6 -33,-2.3 -2,-0.3 2,-0.3 -0.969 38.1 142.0-120.8 108.5 -15.2 12.6 38.1 52 21 B Y E > + E 0 55A 69 3,-2.3 3,-1.5 -2,-0.5 -35,-0.1 -0.990 59.7 6.1-153.1 141.6 -15.6 8.9 37.4 53 22 B Q T 3 S- 0 0 113 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.777 126.7 -62.5 51.2 33.3 -16.2 5.8 39.4 54 23 B G T 3 S+ 0 0 83 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.765 117.9 102.4 67.2 26.9 -16.7 8.0 42.5 55 24 B R E < S- E 0 52A 137 -3,-1.5 -3,-2.3 2,-0.0 2,-0.4 -0.935 70.4-121.4-135.5 155.3 -13.1 9.2 42.3 56 25 B L E + E 0 51A 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.803 34.7 176.8 -95.7 144.2 -11.4 12.4 41.1 57 26 B W E - E 0 50A 40 -7,-1.9 -7,-2.4 -2,-0.4 2,-0.4 -0.944 36.6 -97.9-139.6 158.6 -8.8 12.1 38.3 58 27 B A E -DE 36 49A 11 -22,-3.1 -22,-2.8 -2,-0.3 2,-0.6 -0.664 34.3-137.5 -74.1 131.2 -6.5 14.3 36.2 59 28 B F E -DE 35 48A 5 -11,-2.4 -12,-2.9 -2,-0.4 -11,-0.9 -0.879 34.2-177.6 -92.2 118.7 -8.1 15.0 32.9 60 29 B f E DE 34 46A 0 -26,-3.0 -26,-2.6 -2,-0.6 -14,-0.2 -0.944 360.0 360.0-129.7 136.7 -5.2 14.7 30.4 61 30 B d 0 0 57 -16,-2.5 -16,-2.8 -2,-0.4 -28,-0.2 -0.998 360.0 360.0-135.6 360.0 -4.8 15.1 26.6