==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 19-MAR-12 4E86 . COMPND 2 MOLECULE: DEFENSIN-5; . SOURCE 2 SYNTHETIC: YES; . AUTHOR X.WU,M.PAZGIER . 285 9 27 27 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 69.8 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 . 157 55.1 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 . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 30 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.6 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 4 4 7 5 0 7 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 1 0 0 0 3 1 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 0 130 0, 0.0 2,-0.4 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 111.8 -21.8 -5.7 29.0 2 2 A T - 0 0 42 37,-0.0 30,-2.7 35,-0.0 2,-0.3 -0.821 360.0-171.7 -93.8 137.5 -22.8 -2.7 27.0 3 3 A a E -A 31 0A 15 35,-0.5 35,-2.0 -2,-0.4 2,-0.3 -0.976 6.1-158.6-133.8 142.8 -22.9 -3.2 23.2 4 4 A Y E -AB 30 37A 0 26,-3.7 26,-1.9 -2,-0.3 2,-0.5 -0.865 19.9-135.9-121.7 149.9 -23.3 -0.9 20.2 5 5 A b E -AB 29 36A 2 31,-2.3 31,-2.5 -2,-0.3 2,-0.4 -0.915 37.5-173.8 -92.1 130.8 -24.3 -1.1 16.6 6 6 A R E -AB 28 35A 1 22,-1.8 22,-1.3 -2,-0.5 29,-0.2 -0.988 32.3-148.5-134.2 133.2 -21.7 1.1 14.7 7 7 A T S S+ 0 0 62 27,-2.9 2,-0.1 91,-0.7 28,-0.1 0.798 87.9 34.3 -73.4 -21.9 -21.5 2.1 11.1 8 8 A G S S- 0 0 26 90,-0.3 20,-0.3 26,-0.3 -2,-0.1 -0.340 111.6 -45.0-116.2-168.6 -17.7 2.2 11.2 9 9 A R S S- 0 0 165 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 -0.201 74.1 -86.8 -56.4 156.0 -15.0 0.2 12.9 10 10 A c - 0 0 12 1,-0.1 -1,-0.1 4,-0.1 4,-0.1 -0.316 37.4-109.8 -67.4 151.9 -15.4 -0.6 16.6 11 11 A A - 0 0 15 -3,-0.1 -1,-0.1 4,-0.1 4,-0.1 0.696 58.7-117.9 -58.1 -23.5 -14.2 2.0 19.2 12 12 A T S S+ 0 0 65 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.461 103.5 56.8 81.3 144.3 -11.3 -0.3 20.3 13 13 A R S S+ 0 0 135 1,-0.4 2,-0.4 109,-0.0 -2,-0.1 0.476 101.9 102.3 60.5 10.9 -10.7 -1.8 23.6 14 14 A E S S- 0 0 15 -4,-0.1 -1,-0.4 -11,-0.0 2,-0.3 -0.990 73.5-143.5-116.6 129.7 -14.2 -2.7 22.2 15 15 A S E -C 31 0A 69 16,-2.4 16,-2.4 -2,-0.4 2,-0.6 -0.770 18.6-115.1-100.8 144.0 -14.4 -6.2 20.7 16 16 A L E +C 30 0A 111 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.660 44.1 169.3 -75.7 114.3 -16.4 -7.0 17.6 17 17 A S E - 0 0 37 12,-3.3 39,-0.6 -2,-0.6 2,-0.3 0.457 52.8 -43.0-118.2 -5.7 -19.0 -9.3 19.2 18 18 A G E -CD 29 55A 22 11,-1.0 11,-1.9 37,-0.2 2,-0.3 -0.949 64.6 -86.9 174.6-148.5 -21.7 -9.8 16.5 19 19 A V E -CD 28 54A 47 35,-1.8 35,-3.3 -2,-0.3 2,-0.3 -0.898 24.3-150.5-141.2 166.7 -23.6 -7.9 13.8 20 20 A b E -CD 27 53A 1 7,-1.9 7,-1.7 -2,-0.3 2,-0.5 -0.994 10.4-136.1-147.7 147.5 -26.8 -5.8 13.6 21 21 A E E +CD 26 52A 99 31,-1.5 31,-1.5 -2,-0.3 2,-0.4 -0.869 26.1 165.6-101.1 122.4 -29.3 -5.0 10.9 22 22 A I E > S-CD 25 51A 25 3,-2.1 3,-1.4 -2,-0.5 29,-0.2 -0.980 72.2 -18.5-134.3 125.5 -30.5 -1.5 10.4 23 23 A S T 3 S- 0 0 98 27,-0.6 3,-0.1 -2,-0.4 28,-0.1 0.876 127.6 -47.2 47.5 54.7 -32.4 -0.4 7.3 24 24 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.599 117.6 107.6 74.2 12.5 -31.3 -3.4 5.1 25 25 A R E < - C 0 22A 149 -3,-1.4 -3,-2.1 2,-0.0 2,-0.3 -0.934 61.4-136.0-130.0 140.9 -27.7 -3.0 6.1 26 26 A L E + C 0 21A 106 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.752 28.6 170.2 -88.3 146.6 -25.3 -4.9 8.3 27 27 A Y E - C 0 20A 66 -7,-1.7 -7,-1.9 -2,-0.3 -20,-0.2 -0.893 35.6 -77.0-142.9 177.9 -23.0 -3.2 10.7 28 28 A R E -AC 6 19A 98 -22,-1.3 -22,-1.8 -20,-0.3 2,-0.5 -0.336 26.0-146.5 -83.4 127.0 -20.6 -4.1 13.5 29 29 A X E -AC 5 18A 0 -11,-1.9 -12,-3.3 -24,-0.2 -11,-1.0 -0.985 21.7-175.4 -82.4 149.2 -21.6 -5.0 17.0 30 30 A c E -AC 4 16A 0 -26,-1.9 -26,-3.7 -2,-0.5 2,-0.4 -0.936 2.3-169.8-140.2 119.0 -19.0 -3.8 19.4 31 31 A a E AC 3 15A 13 -16,-2.4 -16,-2.4 -2,-0.4 -28,-0.2 -0.921 360.0 360.0-118.5 149.5 -19.2 -4.6 23.0 32 32 A R 0 0 78 -30,-2.7 -29,-0.2 -2,-0.4 -1,-0.1 0.487 360.0 360.0-121.0 360.0 -17.1 -3.1 25.8 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 24 0, 0.0 -27,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.1 -23.3 6.6 13.2 35 2 B T E +B 6 0A 5 44,-1.1 30,-0.5 -29,-0.2 2,-0.2 -0.997 360.0 173.7-139.7 145.7 -24.1 4.6 16.4 36 3 B d E -B 5 0A 5 -31,-2.5 -31,-2.3 -2,-0.3 2,-0.4 -0.823 30.4-108.4-132.7 174.7 -27.0 2.9 18.2 37 4 B Y E -BE 4 63A 11 26,-2.6 26,-2.1 -2,-0.2 2,-0.5 -0.872 12.9-138.9-111.3 137.8 -27.5 0.7 21.2 38 5 B e E - E 0 62A 17 -35,-2.0 -35,-0.5 -2,-0.4 2,-0.4 -0.833 33.7-164.7 -88.3 126.2 -28.3 -3.0 21.4 39 6 B R E - E 0 61A 35 22,-2.5 22,-1.3 -2,-0.5 14,-0.1 -0.953 34.8-155.3-127.8 134.9 -30.8 -3.4 24.3 40 7 B T S S+ 0 0 131 -2,-0.4 -1,-0.1 20,-0.2 3,-0.1 0.809 89.4 22.3 -62.2 -33.6 -32.2 -6.3 26.4 41 8 B G S S- 0 0 32 1,-0.3 20,-0.2 20,-0.1 -2,-0.1 -0.115 111.8 -26.2-114.6-152.0 -35.3 -4.2 27.2 42 9 B R S S- 0 0 228 1,-0.1 -1,-0.3 -2,-0.1 2,-0.2 -0.186 70.6-100.1 -55.6 151.5 -37.3 -1.2 25.8 43 10 B f - 0 0 28 1,-0.1 -1,-0.1 4,-0.1 6,-0.1 -0.513 53.7-100.8 -66.8 152.3 -35.6 1.4 23.7 44 11 B A > - 0 0 11 -2,-0.2 3,-2.1 4,-0.1 -1,-0.1 0.011 48.3 -64.2 -79.6-174.7 -34.8 4.3 25.8 45 12 B T T 3 S+ 0 0 109 1,-0.3 144,-0.1 143,-0.3 -2,-0.1 0.743 127.5 13.7 -42.2 -53.5 -36.5 7.7 26.1 46 13 B R T 3 S+ 0 0 207 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 -0.078 101.3 113.0-120.0 40.3 -35.9 9.2 22.7 47 14 B E < - 0 0 21 -3,-2.1 2,-0.4 16,-0.0 18,-0.2 -0.802 52.3-144.5-114.3 149.7 -34.9 6.2 20.7 48 15 B S E - F 0 64A 79 16,-2.1 16,-2.0 -2,-0.3 2,-0.6 -0.878 28.9-106.2-112.3 145.0 -36.6 4.4 18.0 49 16 B L E + F 0 63A 115 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.643 49.0 165.0 -65.7 115.8 -36.7 0.7 17.3 50 17 B S E - 0 0 33 12,-2.9 -27,-0.6 -2,-0.6 2,-0.3 0.353 53.9 -62.0-123.2 -5.2 -34.4 0.7 14.2 51 18 B G E -DF 22 62A 22 11,-1.4 11,-3.4 -29,-0.2 2,-0.3 -0.994 61.7 -66.1 153.6-151.4 -33.5 -3.0 13.9 52 19 B V E -DF 21 61A 49 -31,-1.5 -31,-1.5 -2,-0.3 2,-0.3 -0.908 21.7-142.2-133.5 159.5 -31.8 -5.8 15.7 53 20 B e E -DF 20 60A 0 7,-2.4 7,-1.7 -2,-0.3 2,-0.5 -0.915 13.1-153.8-111.4 149.2 -28.4 -6.9 17.0 54 21 B E E +DF 19 59A 95 -35,-3.3 -35,-1.8 -2,-0.3 2,-0.3 -0.991 23.4 159.3-127.2 122.0 -27.2 -10.5 17.0 55 22 B I E > S-DF 18 58A 22 3,-2.3 3,-3.0 -2,-0.5 -37,-0.2 -0.988 70.1 -11.1-143.8 132.1 -24.6 -11.7 19.5 56 23 B S T 3 S- 0 0 121 -39,-0.6 3,-0.1 -2,-0.3 -38,-0.1 0.878 128.5 -54.4 40.0 50.4 -23.8 -15.2 20.7 57 24 B G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.277 114.9 123.9 77.0 -10.6 -27.0 -16.5 18.9 58 25 B R E < - F 0 55A 175 -3,-3.0 -3,-2.3 1,-0.0 2,-0.4 -0.550 52.4-141.6 -95.6 146.9 -29.0 -13.9 20.9 59 26 B L E + F 0 54A 125 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.839 20.8 174.9-110.0 143.9 -31.3 -11.2 19.5 60 27 B Y E - F 0 53A 60 -7,-1.7 -7,-2.4 -2,-0.4 -20,-0.2 -0.991 35.5-101.3-144.5 148.0 -31.7 -7.6 20.8 61 28 B R E -EF 39 52A 118 -22,-1.3 -22,-2.5 -2,-0.3 2,-0.6 -0.420 30.6-142.8 -54.1 127.5 -33.5 -4.5 19.9 62 29 B X E -EF 38 51A 0 -11,-3.4 -12,-2.9 -24,-0.2 -11,-1.4 -0.974 19.6-168.2-106.0 124.5 -31.3 -1.8 18.2 63 30 B f E -EF 37 49A 0 -26,-2.1 -26,-2.6 -2,-0.6 2,-0.4 -0.988 3.6-162.2 -96.5 114.1 -32.3 1.5 19.4 64 31 B d E F 0 48A 2 -16,-2.0 -16,-2.1 -2,-0.4 -28,-0.1 -0.862 360.0 360.0-107.3 143.0 -31.1 4.7 17.7 65 32 B R 0 0 60 -30,-0.5 -1,-0.2 -2,-0.4 13,-0.1 0.881 360.0 360.0 -84.1 360.0 -31.2 8.1 19.1 66 !* 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 67 1 C A 0 0 34 0, 0.0 2,-0.4 0, 0.0 -57,-0.1 0.000 360.0 360.0 360.0 126.5 -15.4 4.9 15.5 68 2 C T - 0 0 58 -59,-0.0 30,-2.3 36,-0.0 2,-0.4 -0.843 360.0-155.9-108.3 132.7 -14.8 8.6 15.7 69 3 C g E -G 97 0B 13 34,-0.4 34,-2.1 -2,-0.4 2,-0.3 -0.939 12.0-180.0-123.9 137.5 -14.9 10.3 19.1 70 4 C Y E -GH 96 102B 8 26,-3.1 26,-2.6 -2,-0.4 2,-0.5 -0.792 29.3-121.2-128.3 166.8 -15.6 13.8 20.0 71 5 C h E -GH 95 101B 7 30,-2.1 30,-0.6 -2,-0.3 2,-0.3 -0.952 32.9-161.3-109.3 117.5 -15.8 16.0 23.0 72 6 C R E -G 94 0B 31 22,-2.1 22,-0.9 -2,-0.5 14,-0.1 -0.819 20.9-148.5-106.9 145.4 -19.3 17.7 23.4 73 7 C T S S+ 0 0 127 -2,-0.3 -1,-0.1 20,-0.1 2,-0.1 0.865 89.9 7.8 -79.6 -37.1 -20.2 20.7 25.4 74 8 C G S S- 0 0 35 1,-0.4 20,-0.3 19,-0.1 -2,-0.1 -0.194 120.7 -20.7-112.3-145.3 -23.7 19.5 26.1 75 9 C R S S- 0 0 152 -2,-0.1 -1,-0.4 1,-0.1 -2,-0.1 -0.073 76.0 -91.2 -59.5 159.0 -25.3 16.1 25.3 76 10 C i - 0 0 8 1,-0.1 -1,-0.1 4,-0.1 4,-0.1 -0.352 47.8-105.7 -65.0 151.0 -23.9 13.7 22.6 77 11 C A > - 0 0 26 1,-0.2 3,-1.0 2,-0.1 -1,-0.1 -0.110 48.0 -73.3 -71.7 173.5 -25.3 14.0 19.1 78 12 C T T 3 S+ 0 0 64 1,-0.3 -1,-0.2 -13,-0.1 3,-0.1 -0.400 121.7 21.9 -68.1 151.7 -27.7 11.6 17.6 79 13 C R T 3 S+ 0 0 92 1,-0.2 -44,-1.1 -45,-0.1 2,-0.3 0.844 103.1 117.2 51.3 39.9 -26.2 8.3 16.6 80 14 C E < - 0 0 4 -3,-1.0 2,-0.4 -46,-0.2 18,-0.2 -0.999 56.4-134.5-136.1 140.6 -23.3 8.8 19.2 81 15 C S E -I 97 0B 1 16,-3.0 16,-2.1 -2,-0.3 2,-1.1 -0.750 17.2-128.7 -89.3 129.8 -22.2 6.9 22.4 82 16 C L E +I 96 0B 9 -2,-0.4 105,-0.2 14,-0.2 14,-0.2 -0.648 49.7 156.3 -65.5 103.4 -21.3 8.4 25.7 83 17 C S E - 0 0 2 12,-3.1 38,-0.7 -2,-1.1 2,-0.3 0.605 56.3 -38.5-115.7 -17.9 -18.1 6.4 25.7 84 18 C G E -IJ 95 120B 2 11,-1.6 11,-4.2 36,-0.2 2,-0.3 -0.920 64.2 -88.9-174.6-155.1 -15.8 8.4 28.1 85 19 C V E -IJ 94 119B 1 34,-1.3 34,-2.8 9,-0.3 2,-0.3 -0.852 19.7-143.7-132.2 166.2 -14.8 12.0 29.0 86 20 C h E -IJ 93 118B 1 7,-1.8 7,-2.3 -2,-0.3 2,-0.6 -0.965 10.8-142.4-125.7 144.0 -12.3 14.7 27.9 87 21 C E E +IJ 92 117B 74 30,-2.0 30,-1.2 -2,-0.3 2,-0.4 -0.960 26.8 171.1-101.4 120.7 -10.5 17.1 30.2 88 22 C I E > -IJ 91 116B 22 3,-3.0 3,-1.4 -2,-0.6 28,-0.2 -0.965 69.3 -20.3-132.4 119.9 -10.2 20.5 28.5 89 23 C S T 3 S- 0 0 104 26,-1.0 -1,-0.1 -2,-0.4 3,-0.1 0.916 126.4 -51.2 50.4 49.9 -8.9 23.5 30.5 90 24 C G T 3 S+ 0 0 84 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.551 118.3 112.5 72.9 5.9 -9.7 21.9 33.9 91 25 C R E < - 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