==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 01-DEC-10 3PSM . COMPND 2 MOLECULE: DEFENSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PACHYRHIZUS EROSUS; . AUTHOR H.ZHOU,X.SONG,W.GONG . 94 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 59.6 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 . 22 23.4 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 . 2 2.1 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-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 . 5 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.3 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 2 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 0 2 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 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 K 0 0 192 0, 0.0 46,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.6 -9.9 -3.6 30.6 2 2 A T E -A 46 0A 81 44,-0.3 2,-0.3 42,-0.0 44,-0.2 -0.813 360.0-157.1-128.5 154.7 -8.7 -2.8 27.1 3 3 A a E -A 45 0A 28 42,-2.0 42,-2.6 -2,-0.3 2,-0.5 -0.990 6.5-147.6-136.2 139.8 -9.9 -0.3 24.5 4 4 A E E +A 44 0A 53 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.970 30.2 152.3-118.4 120.1 -9.6 -0.2 20.7 5 5 A N E -A 43 0A 77 38,-2.3 38,-2.7 -2,-0.5 3,-0.1 -0.924 49.2 -73.9-140.3 164.0 -9.3 3.1 18.9 6 6 A L E -A 42 0A 67 -2,-0.3 36,-0.3 36,-0.2 -1,-0.0 -0.256 53.4-103.3 -57.0 143.7 -7.8 4.4 15.7 7 7 A A - 0 0 16 34,-2.9 -1,-0.1 1,-0.1 34,-0.1 -0.349 26.4-134.5 -54.7 151.7 -4.1 4.9 15.6 8 8 A D S S+ 0 0 133 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.889 90.6 9.9 -79.4 -41.3 -3.1 8.4 15.9 9 9 A T S S+ 0 0 106 2,-0.1 2,-0.2 14,-0.0 -1,-0.1 0.117 78.5 141.5-135.8 19.1 -0.5 8.8 13.1 10 10 A F - 0 0 48 31,-0.1 2,-0.5 1,-0.1 31,-0.1 -0.514 47.8-130.3 -64.2 133.2 -0.6 5.7 10.9 11 11 A R - 0 0 228 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.769 54.2 -18.0 -97.8 129.7 -0.1 6.7 7.3 12 12 A G S S- 0 0 52 -2,-0.5 2,-0.0 2,-0.1 -2,-0.0 -0.091 102.8 -24.9 80.6-177.7 -2.4 5.6 4.4 13 13 A P - 0 0 76 0, 0.0 2,-0.8 0, 0.0 27,-0.2 -0.331 63.6-117.5 -66.2 153.9 -4.8 2.7 4.2 14 14 A b + 0 0 2 25,-2.9 3,-0.1 1,-0.2 -2,-0.1 -0.809 47.8 152.3 -96.4 108.8 -4.3 -0.3 6.4 15 15 A F + 0 0 145 -2,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.637 61.6 44.8-104.1 -29.9 -3.7 -3.3 4.3 16 16 A T > - 0 0 32 1,-0.1 4,-1.4 70,-0.1 -1,-0.2 -0.981 63.2-146.8-124.3 132.7 -1.6 -5.5 6.5 17 17 A D H > S+ 0 0 59 -2,-0.4 4,-3.3 1,-0.2 5,-0.3 0.875 102.0 60.7 -62.7 -34.1 -2.1 -6.3 10.2 18 18 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 101.3 51.8 -60.2 -40.2 1.7 -6.4 10.6 19 19 A S H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 115.3 42.3 -61.7 -40.0 2.1 -2.8 9.5 20 20 A c H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 5,-0.2 0.905 112.5 51.4 -74.2 -41.9 -0.5 -1.7 12.1 21 21 A D H X S+ 0 0 8 -4,-3.3 4,-2.8 12,-0.3 5,-0.3 0.918 110.6 51.0 -60.4 -41.1 0.7 -3.9 14.9 22 22 A D H X>S+ 0 0 28 -4,-2.5 4,-3.0 -5,-0.3 5,-0.5 0.966 112.5 45.8 -57.5 -53.9 4.2 -2.5 14.3 23 23 A H H X>S+ 0 0 19 -4,-2.1 4,-2.4 -5,-0.2 5,-1.8 0.945 115.7 45.0 -54.0 -53.3 2.9 1.0 14.5 24 24 A d H <5S+ 0 0 0 -4,-3.1 6,-2.8 1,-0.2 -1,-0.2 0.922 121.2 37.9 -63.2 -42.9 0.8 0.4 17.6 25 25 A K H <5S+ 0 0 38 -4,-2.8 -1,-0.2 4,-0.2 -2,-0.2 0.887 129.3 28.5 -71.9 -44.2 3.5 -1.5 19.5 26 26 A N H <5S+ 0 0 50 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.692 129.4 32.0-102.4 -23.3 6.5 0.5 18.4 27 27 A K T < - 0 0 94 4,-1.9 3,-2.1 -2,-0.3 4,-0.2 -0.553 39.1 -83.4-109.8-176.2 -10.3 -3.4 10.6 37 37 A D T 3 S+ 0 0 148 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.587 124.3 68.1 -72.7 -4.5 -12.9 -3.7 7.7 38 38 A D T 3 S- 0 0 47 2,-0.2 -1,-0.3 -25,-0.0 -24,-0.1 0.309 112.1-116.6 -84.6 1.2 -12.6 0.1 7.3 39 39 A F S < S+ 0 0 120 -3,-2.1 -25,-2.9 1,-0.3 2,-0.3 0.837 77.4 120.5 56.1 38.1 -9.0 -0.3 6.0 40 40 A R - 0 0 125 -4,-0.2 -4,-1.9 -27,-0.2 2,-0.5 -0.876 68.0-109.4-126.1 158.5 -7.7 1.7 9.0 41 41 A c E - B 0 35A 4 -2,-0.3 -34,-2.9 -6,-0.2 2,-0.4 -0.783 31.7-168.6 -91.1 124.1 -5.3 0.8 11.7 42 42 A W E -AB 6 34A 37 -8,-2.6 -8,-2.1 -2,-0.5 2,-0.4 -0.961 5.6-153.8-117.1 129.4 -6.7 0.3 15.2 43 43 A d E -AB 5 33A 2 -38,-2.7 -38,-2.3 -2,-0.4 2,-0.4 -0.816 6.0-142.9-102.2 144.7 -4.6 0.1 18.3 44 44 A T E +AB 4 32A 12 -12,-2.8 -13,-2.0 -2,-0.4 -12,-1.1 -0.884 26.7 172.7-102.5 135.1 -5.6 -1.7 21.5 45 45 A R E -A 3 0A 88 -42,-2.6 -42,-2.0 -2,-0.4 2,-0.2 -0.941 41.1 -92.3-137.2 155.3 -4.5 -0.2 24.8 46 46 A N E A 2 0A 127 -2,-0.3 -44,-0.3 -44,-0.2 -15,-0.0 -0.575 360.0 360.0 -62.3 135.5 -5.0 -0.7 28.6 47 47 A a 0 0 84 -46,-2.6 -1,-0.0 -2,-0.2 -44,-0.0 -0.632 360.0 360.0-148.0 360.0 -8.0 1.5 29.6 48 !* 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 49 1 B K 0 0 190 0, 0.0 46,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 143.1 4.3 -13.1 29.4 50 2 B T E -C 94 0B 87 44,-0.2 2,-0.4 2,-0.0 44,-0.2 -0.935 360.0-158.6-122.0 158.1 5.4 -13.5 25.8 51 3 B e E -C 93 0B 23 42,-2.2 42,-2.4 -2,-0.3 2,-0.5 -0.978 6.1-152.4-137.4 138.4 5.7 -10.7 23.3 52 4 B E E +C 92 0B 42 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.964 32.6 142.7-115.6 129.4 5.8 -10.8 19.5 53 5 B N E -C 91 0B 33 38,-2.4 38,-2.4 -2,-0.5 -31,-0.1 -0.919 51.7 -58.6-154.9 175.8 7.6 -8.0 17.6 54 6 B L E -C 90 0B 48 -2,-0.3 36,-0.3 36,-0.3 2,-0.0 -0.278 55.4-108.2 -63.7 143.7 9.8 -7.4 14.6 55 7 B A - 0 0 20 34,-3.0 2,-0.6 1,-0.1 3,-0.2 -0.294 28.9-120.0 -59.4 154.5 13.0 -9.3 14.1 56 8 B D S S- 0 0 108 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 -0.912 87.1 -11.1-100.6 116.8 16.3 -7.3 14.5 57 9 B T S S+ 0 0 87 -2,-0.6 2,-0.7 1,-0.3 -1,-0.2 0.883 78.4 157.2 58.8 45.3 18.4 -7.4 11.4 58 10 B F - 0 0 49 -3,-0.2 2,-0.4 31,-0.1 -1,-0.3 -0.911 38.4-137.8 -90.6 122.1 16.5 -10.0 9.4 59 11 B R - 0 0 208 -2,-0.7 -3,-0.0 -3,-0.1 0, 0.0 -0.630 52.0 -4.8 -94.1 135.0 17.6 -9.1 5.9 60 12 B G S S- 0 0 57 -2,-0.4 2,-0.1 2,-0.1 -2,-0.1 -0.120 100.1 -29.1 86.2 177.2 15.2 -9.1 3.0 61 13 B P - 0 0 80 0, 0.0 2,-1.0 0, 0.0 27,-0.2 -0.379 55.0-125.1 -71.6 151.2 11.6 -10.0 2.6 62 14 B f + 0 0 1 25,-2.7 3,-0.1 1,-0.2 25,-0.1 -0.819 51.3 144.1-100.2 96.2 10.0 -12.7 4.8 63 15 B F + 0 0 141 -2,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.418 62.6 50.1-111.4 -5.9 8.6 -15.2 2.3 64 16 B T >> - 0 0 86 -3,-0.2 4,-1.3 1,-0.1 3,-0.9 -0.960 67.1-150.4-137.6 120.2 9.2 -18.4 4.1 65 17 B D H 3> S+ 0 0 94 -2,-0.4 4,-2.8 1,-0.2 3,-0.3 0.872 95.5 61.0 -53.7 -41.2 8.2 -18.9 7.8 66 18 B G H 3> S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.841 99.3 54.8 -62.3 -33.2 11.1 -21.3 8.4 67 19 B S H <> S+ 0 0 68 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.896 112.0 45.0 -64.6 -39.5 13.8 -18.7 7.6 68 20 B g H X S+ 0 0 0 -4,-1.3 4,-3.0 -3,-0.3 5,-0.2 0.919 111.0 51.4 -67.6 -47.4 12.3 -16.4 10.1 69 21 B D H X S+ 0 0 43 -4,-2.8 4,-2.6 12,-0.3 5,-0.3 0.927 111.1 50.4 -54.1 -43.1 11.9 -19.1 12.8 70 22 B D H X>S+ 0 0 80 -4,-2.4 4,-2.9 -5,-0.2 5,-0.6 0.932 112.0 46.5 -60.4 -51.0 15.6 -19.9 12.2 71 23 B H H X>S+ 0 0 23 -4,-2.1 4,-2.0 3,-0.2 5,-2.0 0.955 114.0 47.5 -54.6 -53.9 16.6 -16.3 12.6 72 24 B h H <5S+ 0 0 0 -4,-3.0 6,-2.9 3,-0.2 -2,-0.2 0.924 120.4 36.7 -59.3 -45.5 14.6 -15.7 15.7 73 25 B K H <5S+ 0 0 89 -4,-2.6 4,-0.2 4,-0.2 -1,-0.2 0.908 129.6 27.9 -70.5 -46.7 15.8 -18.9 17.4 74 26 B N H <5S+ 0 0 94 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.761 129.3 32.3 -98.6 -29.7 19.4 -19.1 16.3 75 27 B K T < - 0 0 34 4,-2.0 3,-2.2 -2,-0.3 4,-0.1 -0.510 36.5 -85.1-113.7-178.5 3.5 -11.9 8.7 85 37 B D T 3 S+ 0 0 67 1,-0.3 -2,-0.0 -2,-0.2 -70,-0.0 0.582 124.9 64.0 -68.9 -8.1 1.3 -10.2 6.1 86 38 B D T 3 S- 0 0 24 2,-0.2 -1,-0.3 -70,-0.1 3,-0.1 0.358 113.3-119.0 -84.7 -1.5 3.7 -7.3 6.0 87 39 B F S < S+ 0 0 120 -3,-2.2 -25,-2.7 1,-0.3 2,-0.3 0.817 75.3 124.1 58.0 34.9 6.3 -9.8 4.6 88 40 B R - 0 0 86 -27,-0.2 -4,-2.0 -4,-0.1 2,-0.5 -0.825 67.1-109.1-114.2 158.9 8.5 -9.1 7.7 89 41 B g E - D 0 83B 5 -2,-0.3 -34,-3.0 -6,-0.2 2,-0.4 -0.777 31.8-166.2 -89.4 127.3 9.9 -11.5 10.2 90 42 B W E -CD 54 82B 0 -8,-2.5 -8,-2.0 -2,-0.5 2,-0.3 -0.975 3.1-156.8-118.7 128.0 8.4 -11.4 13.6 91 43 B h E -CD 53 81B 4 -38,-2.4 -38,-2.4 -2,-0.4 2,-0.4 -0.803 7.4-143.2-103.0 147.5 9.9 -13.1 16.7 92 44 B T E +CD 52 80B 16 -12,-2.7 -13,-2.2 -2,-0.3 -12,-1.1 -0.902 28.0 172.4-106.6 136.0 8.3 -14.2 19.9 93 45 B R E -C 51 0B 94 -42,-2.4 -42,-2.2 -2,-0.4 2,-0.3 -0.944 40.5 -97.3-137.3 157.9 10.2 -13.9 23.1 94 46 B N E C 50 0B 129 -2,-0.3 -44,-0.2 -44,-0.2 -15,-0.0 -0.592 360.0 360.0 -67.4 135.6 9.8 -14.2 26.8 95 47 B e 0 0 86 -46,-2.6 -1,-0.0 -2,-0.3 0, 0.0 -0.869 360.0 360.0-144.6 360.0 9.1 -10.7 28.2