==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 06-JUL-09 3I5W . COMPND 2 MOLECULE: DEFENSIN-5; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.PAZGIER,W.LU . 64 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 71.9 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 . 35 54.7 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 3.1 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-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 . 9 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 114 0, 0.0 2,-0.7 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 155.1 -2.0 -15.2 1.9 2 2 A T + 0 0 74 35,-0.1 30,-2.1 2,-0.0 2,-0.3 -0.890 360.0 160.3-104.0 104.9 0.4 -16.0 4.7 3 3 A a E -AB 31 36A 19 -2,-0.7 33,-0.5 33,-0.5 2,-0.4 -0.846 27.2-158.9-131.6 157.9 0.4 -13.1 7.2 4 4 A Y E -A 30 0A 79 26,-2.1 26,-2.9 -2,-0.3 2,-0.9 -0.995 21.9-131.5-134.1 138.3 1.3 -12.3 10.7 5 5 A b E -A 29 0A 36 -2,-0.4 2,-0.4 24,-0.2 24,-0.2 -0.853 39.9-163.4 -90.7 105.8 0.2 -9.5 13.0 6 6 A R E -A 28 0A 74 22,-2.8 22,-2.5 -2,-0.9 14,-0.1 -0.770 33.3-157.5-103.0 134.8 3.5 -8.2 14.3 7 7 A T S S+ 0 0 99 -2,-0.4 -1,-0.1 20,-0.2 2,-0.1 0.834 88.7 33.9 -67.8 -36.3 4.4 -6.0 17.2 8 8 A G S S- 0 0 35 1,-0.2 20,-0.3 20,-0.1 -2,-0.2 -0.171 109.3 -47.7-106.3-159.6 7.7 -5.1 15.5 9 9 A R - 0 0 203 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.297 66.4 -88.5 -73.8 156.0 8.9 -4.6 11.9 10 10 A c - 0 0 33 1,-0.1 -1,-0.1 -4,-0.1 3,-0.1 -0.334 49.7-116.0 -63.3 146.6 8.1 -7.0 9.1 11 11 A A > - 0 0 40 1,-0.2 3,-2.1 4,-0.1 -1,-0.1 -0.113 42.7 -65.8 -76.7 170.4 10.6 -9.8 8.7 12 12 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.370 125.8 18.0 -50.0 129.2 13.0 -10.6 5.8 13 13 A H T 3 S+ 0 0 162 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.634 104.5 108.8 75.6 10.5 10.9 -11.5 2.8 14 14 A E < - 0 0 19 -3,-2.1 2,-0.3 18,-0.0 -1,-0.3 -0.854 53.3-150.8-108.2 162.7 7.7 -10.0 4.2 15 15 A S E -C 31 0A 80 16,-2.4 16,-2.8 -2,-0.3 2,-0.7 -0.953 27.1-110.1-125.4 147.3 5.9 -6.9 3.0 16 16 A L E +C 30 0A 105 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.680 42.9 168.1 -78.2 111.0 3.7 -4.6 5.0 17 17 A S E - 0 0 45 12,-3.1 39,-0.5 -2,-0.7 2,-0.3 0.522 57.5 -54.4-104.5 -13.1 0.2 -5.3 3.6 18 18 A G E -CD 29 55A 17 11,-1.0 11,-2.6 37,-0.2 2,-0.3 -0.961 63.6 -76.2 167.1-155.5 -1.9 -3.5 6.2 19 19 A V E -CD 28 54A 37 35,-1.8 35,-2.9 -2,-0.3 2,-0.4 -0.917 25.5-138.9-134.0 159.9 -2.5 -3.4 9.9 20 20 A b E -CD 27 53A 0 7,-2.4 7,-2.4 -2,-0.3 2,-0.6 -0.960 6.0-150.8-116.0 146.7 -4.3 -5.5 12.6 21 21 A E E +CD 26 52A 92 31,-2.9 31,-2.1 -2,-0.4 2,-0.4 -0.963 25.6 169.0-111.3 116.8 -6.4 -4.2 15.4 22 22 A I E > -C 25 0A 34 3,-2.6 3,-1.3 -2,-0.6 29,-0.2 -0.964 65.4 -27.3-134.3 117.1 -6.2 -6.6 18.4 23 23 A S T 3 S- 0 0 123 -2,-0.4 3,-0.1 27,-0.3 -1,-0.1 0.856 125.4 -46.0 50.2 44.6 -7.5 -5.8 21.8 24 24 A G T 3 S+ 0 0 89 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.645 118.3 102.7 78.3 13.0 -7.1 -2.0 21.4 25 25 A R E < - C 0 22A 144 -3,-1.3 -3,-2.6 2,-0.0 2,-0.4 -0.957 65.6-128.0-129.3 147.2 -3.6 -2.1 20.0 26 26 A L E - C 0 21A 114 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.790 25.8-176.8 -96.9 140.4 -2.3 -1.7 16.4 27 27 A Y E - C 0 20A 43 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.3 -0.910 31.1-106.3-130.4 151.9 0.0 -4.3 14.8 28 28 A R E -AC 6 19A 97 -22,-2.5 -22,-2.8 -2,-0.3 2,-0.8 -0.665 26.2-137.8 -72.0 137.1 1.7 -4.4 11.4 29 29 A L E -AC 5 18A 1 -11,-2.6 -12,-3.1 -2,-0.3 -11,-1.0 -0.887 27.2-172.3 -95.9 105.7 0.2 -7.0 9.0 30 30 A c E -AC 4 16A 0 -26,-2.9 -26,-2.1 -2,-0.8 2,-0.3 -0.892 5.8-179.6-105.6 122.7 3.2 -8.6 7.5 31 31 A a E AC 3 15A 13 -16,-2.8 -16,-2.4 -2,-0.5 -28,-0.2 -0.866 360.0 360.0-127.1 155.0 2.7 -11.0 4.6 32 32 A R 0 0 169 -30,-2.1 -29,-0.1 -2,-0.3 -1,-0.1 0.356 360.0 360.0-135.5 360.0 4.7 -13.1 2.3 33 !* 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 34 1 B A 0 0 109 0, 0.0 2,-0.8 0, 0.0 -29,-0.1 0.000 360.0 360.0 360.0 150.2 -0.3 -17.5 15.9 35 2 B T + 0 0 73 -31,-0.1 30,-3.0 2,-0.0 2,-0.3 -0.900 360.0 156.4-105.4 108.8 -1.8 -18.9 12.7 36 3 B d E -BE 3 64A 21 -2,-0.8 -33,-0.5 -33,-0.5 2,-0.4 -0.868 29.0-153.9-131.8 157.6 -4.4 -16.4 11.6 37 4 B Y E - E 0 63A 83 26,-2.4 26,-3.1 -2,-0.3 2,-0.8 -0.990 18.7-132.9-133.3 139.9 -6.2 -15.4 8.5 38 5 B e E - E 0 62A 35 -2,-0.4 2,-0.4 24,-0.2 24,-0.2 -0.857 39.3-161.0 -88.6 110.0 -7.8 -12.2 7.5 39 6 B R E - E 0 61A 80 22,-3.2 22,-2.2 -2,-0.8 14,-0.1 -0.836 34.4-158.5-106.3 144.3 -11.1 -13.3 6.2 40 7 B T S S+ 0 0 106 -2,-0.4 -1,-0.1 20,-0.2 2,-0.1 0.805 90.3 42.5 -72.7 -34.0 -13.8 -11.7 3.9 41 8 B G S S- 0 0 34 1,-0.2 20,-0.3 20,-0.1 -2,-0.1 -0.321 107.9 -62.4-104.0-170.5 -16.3 -14.2 5.4 42 9 B R - 0 0 201 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.266 60.0 -90.0 -72.6 159.2 -17.0 -15.4 8.8 43 10 B f - 0 0 35 1,-0.1 -1,-0.1 -4,-0.1 6,-0.1 -0.299 47.2-104.5 -63.7 145.7 -14.5 -17.4 11.0 44 11 B A > - 0 0 38 1,-0.1 3,-1.8 -3,-0.1 -1,-0.1 -0.326 36.3 -99.7 -66.1 160.6 -14.6 -21.2 10.7 45 12 B T T 3 S+ 0 0 154 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.809 123.9 42.9 -50.1 -40.5 -16.1 -23.2 13.5 46 13 B H T 3 S+ 0 0 101 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.453 100.8 91.6 -88.2 -4.3 -12.8 -24.1 15.1 47 14 B E < - 0 0 17 -3,-1.8 2,-0.5 16,-0.0 18,-0.2 -0.540 67.7-135.5 -92.1 162.3 -11.4 -20.6 14.7 48 15 B S E - F 0 64A 69 16,-2.7 16,-2.5 -2,-0.2 2,-0.4 -0.960 18.0-126.2-118.7 124.0 -11.5 -17.7 17.1 49 16 B L E + F 0 63A 116 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.556 39.6 167.4 -68.3 123.0 -12.3 -14.2 16.0 50 17 B S E - 0 0 44 12,-3.4 2,-0.3 -2,-0.4 -27,-0.3 0.473 48.8 -48.5-123.5 -3.9 -9.4 -12.3 17.4 51 18 B G E - F 0 62A 16 11,-0.7 11,-2.4 -29,-0.2 2,-0.4 -0.976 63.8 -68.7 162.9-158.7 -9.4 -8.8 15.9 52 19 B V E -DF 21 61A 42 -31,-2.1 -31,-2.9 -2,-0.3 2,-0.4 -0.981 27.5-151.9-134.1 134.7 -9.6 -6.9 12.6 53 20 B e E -DF 20 60A 0 7,-2.5 7,-2.6 -2,-0.4 2,-0.5 -0.920 5.5-157.7-101.6 139.9 -7.3 -6.6 9.6 54 21 B E E +DF 19 59A 81 -35,-2.9 -35,-1.8 -2,-0.4 2,-0.4 -0.969 21.1 169.0-110.9 120.4 -7.3 -3.5 7.4 55 22 B I E > -DF 18 58A 41 3,-2.6 3,-1.6 -2,-0.5 -37,-0.2 -0.984 65.4 -23.7-136.0 122.8 -5.9 -4.3 4.0 56 23 B S T 3 S- 0 0 119 -39,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.890 127.1 -44.9 44.1 54.1 -6.1 -1.9 1.0 57 24 B G T 3 S+ 0 0 67 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.539 118.2 99.4 75.3 7.7 -9.1 0.0 2.4 58 25 B R E < - F 0 55A 144 -3,-1.6 -3,-2.6 2,-0.0 2,-0.4 -0.952 64.3-132.4-125.7 148.1 -11.2 -2.9 3.5 59 26 B L E - F 0 54A 116 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.787 24.2-176.3 -99.5 146.2 -11.7 -4.5 6.9 60 27 B Y E - F 0 53A 38 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.4 -0.921 31.0-105.0-136.6 151.2 -11.5 -8.2 7.5 61 28 B R E -EF 39 52A 79 -22,-2.2 -22,-3.2 -2,-0.3 2,-0.8 -0.654 27.9-136.1 -74.6 137.1 -12.1 -10.5 10.4 62 29 B L E -EF 38 51A 4 -11,-2.4 -12,-3.4 -2,-0.4 -11,-0.7 -0.874 27.7-173.4 -92.2 113.2 -8.8 -11.8 12.0 63 30 B f E -EF 37 49A 0 -26,-3.1 -26,-2.4 -2,-0.8 2,-0.4 -0.939 2.2-165.8-115.9 122.8 -9.6 -15.5 12.5 64 31 B d E EF 36 48A 11 -16,-2.5 -16,-2.7 -2,-0.5 -28,-0.3 -0.855 360.0 360.0-117.0 143.3 -7.1 -17.5 14.4 65 32 B R 0 0 186 -30,-3.0 -29,-0.1 -2,-0.4 -1,-0.1 0.809 360.0 360.0 -69.0 360.0 -6.5 -21.2 14.9