==== 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 18-MAR-09 3GO0 . COMPND 2 MOLECULE: NEUTROPHIL DEFENSIN 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.PAZGIER,W-Y.LU . 60 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4311.0 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 X 0 0 107 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.9 -5.5 11.2 -8.0 2 2 A X + 0 0 56 28,-0.2 2,-0.3 11,-0.0 28,-0.2 -0.807 360.0 164.7 104.9-154.6 -8.9 9.9 -8.9 3 3 A X E +A 29 0A 115 26,-2.8 26,-3.3 -2,-0.3 2,-0.5 -0.995 22.9 134.6 139.5-139.8 -9.7 8.4 -12.3 4 4 A X E +A 28 0A 24 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.878 42.9 172.6 88.0-126.7 -12.5 6.3 -13.9 5 5 A X E +A 27 0A 62 22,-2.7 22,-2.7 -2,-0.5 2,-0.5 -0.948 20.4 132.9 131.7-144.1 -13.2 8.1 -17.2 6 6 A X S S- 0 0 64 -2,-0.4 20,-0.1 20,-0.2 -2,-0.0 -0.994 89.7 -8.3 126.4-105.6 -15.2 7.7 -20.3 7 7 A X S S+ 0 0 127 -2,-0.5 2,-0.3 2,-0.0 -1,-0.1 -0.991 127.0 42.1 129.8 18.2 -17.0 9.9 -21.7 8 8 A X + 0 0 55 19,-0.1 -2,-0.1 -4,-0.0 21,-0.1 -0.985 63.8 72.4 169.3-163.9 -16.7 12.3 -18.8 9 9 A X + 0 0 34 -2,-0.3 2,-0.2 -4,-0.1 6,-0.1 -0.291 52.5 125.7 64.7-157.8 -14.5 14.0 -16.1 10 10 A X > + 0 0 94 1,-0.2 3,-2.1 4,-0.1 -1,-0.1 -0.522 39.0 62.2 105.3-172.1 -12.0 16.6 -17.5 11 11 A X T 3 S- 0 0 101 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.211 124.3 -28.5 51.9-138.3 -11.3 20.2 -16.6 12 12 A G T 3 S- 0 0 85 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.355 107.4 -95.7 -89.0 5.9 -10.1 20.5 -13.0 13 13 A X < + 0 0 34 -3,-2.1 2,-0.3 16,-0.0 -1,-0.3 -0.810 55.9 154.7 116.3-156.9 -12.1 17.4 -11.9 14 14 A X + 0 0 193 16,-2.6 16,-2.3 -2,-0.3 2,-0.5 -0.940 27.4 112.7 124.2-150.3 -15.5 16.7 -10.3 15 15 A X E -B 29 0A 150 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.741 35.7-169.0 84.2-126.0 -17.5 13.6 -10.6 16 16 A X E + 0 0 109 12,-3.2 37,-1.0 -2,-0.5 2,-0.3 0.464 60.8 44.1 113.3 8.0 -17.8 11.8 -7.3 17 17 A G E +BC 28 52A 15 11,-1.2 11,-2.6 35,-0.2 2,-0.3 -0.934 64.7 69.6-175.0 150.8 -19.3 8.5 -8.4 18 18 A X E +BC 27 51A 36 33,-2.2 33,-3.1 -2,-0.3 2,-0.4 -0.966 24.4 149.9 139.3-145.1 -19.3 5.7 -11.0 19 19 A X E +BC 26 50A 0 7,-2.2 7,-2.3 -2,-0.3 2,-0.5 -0.928 5.3 152.6 114.8-147.9 -17.1 2.8 -11.9 20 20 A X E -BC 25 49A 77 29,-3.0 29,-1.9 -2,-0.4 2,-0.3 -0.988 39.0-139.2 116.2-118.7 -18.1 -0.5 -13.3 21 21 A X E > -BC 24 48A 53 3,-2.2 3,-1.8 -2,-0.5 27,-0.1 -0.953 59.8 -5.5 165.0-136.2 -15.3 -2.0 -15.4 22 22 A X T 3 S+ 0 0 128 25,-0.7 3,-0.1 -2,-0.3 26,-0.1 0.812 126.2 59.6 -53.4 -37.6 -15.0 -3.9 -18.8 23 23 A G T 3 S- 0 0 83 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.606 117.6-102.6 -71.9 -13.5 -18.7 -4.1 -19.2 24 24 A X E < S+ B 0 21A 142 -3,-1.8 -3,-2.2 -18,-0.0 2,-0.4 -0.864 70.6 121.2 130.7-158.9 -19.0 -0.3 -19.1 25 25 A X E + B 0 20A 119 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.849 32.3 172.9 93.8-135.9 -20.0 2.5 -16.8 26 26 A X E + B 0 19A 55 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.4 -0.927 27.7 112.3 126.3-148.5 -17.4 5.2 -16.1 27 27 A X E +AB 5 18A 7 -22,-2.7 -22,-2.7 -2,-0.3 2,-0.7 -0.671 27.2 136.3 76.3-132.6 -17.4 8.5 -14.3 28 28 A X E +AB 4 17A 6 -11,-2.6 -12,-3.2 -2,-0.4 -11,-1.2 -0.870 32.8 171.9 91.1-116.9 -15.4 8.4 -11.1 29 29 A X E AB 3 15A 0 -26,-3.3 -26,-2.8 -2,-0.7 -14,-0.2 -0.910 360.0 360.0 122.9-134.5 -13.5 11.7 -11.2 30 30 A X 0 0 56 -16,-2.3 -16,-2.6 -2,-0.4 -28,-0.2 -0.963 360.0 360.0 138.3 360.0 -11.3 13.5 -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 X 0 0 111 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.4 -2.6 2.2 -12.6 33 2 B X + 0 0 43 28,-0.2 2,-0.3 -29,-0.1 28,-0.2 -0.711 360.0 164.4 101.4-154.3 -6.0 1.1 -11.2 34 3 B X E +D 60 0A 120 26,-2.6 26,-2.8 -2,-0.3 2,-0.6 -0.996 22.5 132.3 140.5-138.3 -7.2 1.8 -7.7 35 4 B X E +D 59 0A 21 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.849 42.3 174.6 86.4-120.5 -10.6 1.8 -5.9 36 5 B X E +D 58 0A 69 22,-2.9 22,-2.5 -2,-0.6 2,-0.4 -0.920 22.9 137.4 126.8-146.0 -9.9 -0.1 -2.6 37 6 B X S S- 0 0 79 -2,-0.3 20,-0.1 20,-0.2 3,-0.0 -0.816 90.0 -16.1 126.5 -87.3 -11.6 -1.1 0.6 38 7 B X S S+ 0 0 130 -2,-0.4 2,-0.3 0, 0.0 -2,-0.1 -0.739 125.0 53.8 134.8 38.2 -11.3 -4.2 1.9 39 8 B X + 0 0 54 19,-0.1 -2,-0.1 18,-0.0 21,-0.1 -0.934 64.7 63.7 169.3-170.4 -9.9 -5.9 -1.3 40 9 B X + 0 0 36 -2,-0.3 2,-0.2 -4,-0.1 6,-0.1 -0.291 53.9 117.5 69.2-158.1 -7.2 -5.7 -4.0 41 10 B X > + 0 0 96 1,-0.1 3,-2.5 4,-0.1 -1,-0.1 -0.581 43.4 71.3 96.7-163.0 -3.6 -6.2 -2.9 42 11 B X T 3 S- 0 0 104 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.250 124.5 -31.2 49.9-133.6 -1.2 -8.9 -3.9 43 12 B G T 3 S- 0 0 86 1,-0.4 -1,-0.3 -3,-0.1 2,-0.3 0.215 107.4 -88.1 -95.7 14.6 -0.2 -8.4 -7.6 44 13 B X < + 0 0 27 -3,-2.5 -1,-0.4 16,-0.0 2,-0.3 -0.716 60.1 154.0 105.8-162.9 -3.6 -6.8 -8.4 45 14 B X + 0 0 176 16,-2.1 16,-2.2 -2,-0.3 2,-0.6 -0.948 25.9 110.6 128.5-156.8 -6.8 -8.4 -9.5 46 15 B X E - E 0 60A 144 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.778 38.0-166.9 87.6-119.3 -10.4 -7.1 -9.1 47 16 B X E + 0 0 116 12,-2.7 -25,-0.7 -2,-0.6 2,-0.3 0.393 61.7 36.2 111.7 0.3 -11.8 -6.1 -12.5 48 17 B G E +CE 21 59A 13 11,-1.1 11,-2.5 -27,-0.1 2,-0.3 -0.944 65.3 74.9-175.1 153.0 -14.8 -4.2 -11.2 49 18 B X E +CE 20 58A 29 -29,-1.9 -29,-3.0 -2,-0.3 2,-0.4 -0.990 19.6 150.4 142.1-141.0 -16.4 -1.9 -8.7 50 19 B X E +CE 19 57A 0 7,-2.6 7,-2.4 -2,-0.3 2,-0.5 -0.923 8.4 162.9 109.3-142.7 -16.4 1.8 -7.8 51 20 B X E -CE 18 56A 70 -33,-3.1 -33,-2.2 -2,-0.4 2,-0.4 -0.983 23.3-155.1 120.3-115.5 -19.3 3.5 -6.2 52 21 B X E > +CE 17 55A 30 3,-2.3 3,-1.5 -2,-0.5 -35,-0.2 -0.982 62.8 9.0 145.2-137.9 -18.6 6.8 -4.5 53 22 B X T 3 S+ 0 0 132 -37,-1.0 -1,-0.1 -2,-0.4 -36,-0.1 0.865 127.3 52.5 -50.6 -46.5 -20.3 8.7 -1.8 54 23 B G T 3 S- 0 0 82 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.570 115.2-111.2 -73.9 -12.8 -22.6 5.8 -0.9 55 24 B X E < + E 0 52A 130 -3,-1.5 -3,-2.3 2,-0.0 2,-0.4 -0.934 61.1 132.5 123.5-147.3 -19.8 3.3 -0.6 56 25 B X E + E 0 51A 120 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.850 25.6 179.0 100.0-132.1 -18.7 0.2 -2.6 57 26 B X E + E 0 50A 33 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.3 -0.920 30.5 115.1 128.4-148.3 -14.9 -0.3 -3.5 58 27 B X E +DE 36 49A 6 -22,-2.5 -22,-2.9 -2,-0.3 2,-0.7 -0.657 27.0 134.7 74.5-135.4 -13.2 -3.0 -5.4 59 28 B X E +DE 35 48A 12 -11,-2.5 -12,-2.7 -2,-0.3 -11,-1.1 -0.886 32.2 172.9 94.1-115.4 -11.7 -1.8 -8.7 60 29 B X E DE 34 46A 0 -26,-2.8 -26,-2.6 -2,-0.7 -14,-0.2 -0.906 360.0 360.0 119.3-134.0 -8.2 -3.2 -8.8 61 30 B X 0 0 55 -16,-2.2 -16,-2.1 -2,-0.4 -28,-0.2 -0.960 360.0 360.0 135.3 360.0 -5.5 -3.1 -11.5