==== 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 4E83 . COMPND 2 MOLECULE: DEFENSIN-5; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.PAZGIER . 64 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 43.8 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 . 10 15.6 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 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 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 0 124 0, 0.0 2,-0.6 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0-156.9 -5.0 22.4 -4.6 2 2 A T + 0 0 71 49,-0.1 30,-2.8 2,-0.0 2,-0.3 -0.871 360.0 175.0-109.2 120.9 -1.3 21.3 -4.3 3 3 A a E -A 31 0A 27 -2,-0.6 2,-0.4 28,-0.3 49,-0.3 -0.936 8.7-164.8-126.1 142.6 -0.4 18.7 -1.7 4 4 A Y E -A 30 0A 88 26,-2.9 26,-2.4 -2,-0.3 2,-0.7 -0.955 23.0-127.3-130.3 144.4 2.9 17.1 -1.0 5 5 A b E -A 29 0A 15 -2,-0.4 2,-0.3 47,-0.2 24,-0.2 -0.862 41.2-174.6 -86.6 118.2 3.9 14.0 1.0 6 6 A R E -A 28 0A 84 22,-3.2 22,-2.5 -2,-0.7 14,-0.1 -0.879 35.9-154.1-120.8 145.8 6.6 15.3 3.3 7 7 A T S S+ 0 0 117 -2,-0.3 -1,-0.1 20,-0.2 2,-0.1 0.813 86.9 49.6 -84.5 -25.5 9.0 13.6 5.8 8 8 A G S S- 0 0 37 1,-0.2 20,-0.3 20,-0.1 -2,-0.1 -0.302 109.2 -62.6 -98.6-172.4 9.3 16.9 7.8 9 9 A R - 0 0 215 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.321 67.0 -91.4 -65.4 148.0 6.7 19.2 9.2 10 10 A c - 0 0 25 1,-0.1 -1,-0.1 19,-0.1 6,-0.1 -0.265 50.5 -92.8 -57.7 150.5 4.5 21.0 6.6 11 11 A A > - 0 0 42 1,-0.1 3,-2.1 -3,-0.1 -1,-0.1 -0.232 39.9-109.6 -57.0 155.4 5.8 24.4 5.4 12 12 A T T 3 S+ 0 0 140 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.847 123.0 55.6 -63.2 -27.8 4.3 27.1 7.5 13 13 A R T 3 S+ 0 0 194 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.420 103.8 73.7 -77.0 -1.8 2.2 28.1 4.3 14 14 A E S < S- 0 0 12 -3,-2.1 2,-0.4 18,-0.0 18,-0.2 -0.753 74.2-136.0-111.5 160.4 0.9 24.5 4.3 15 15 A S E -B 31 0A 79 16,-2.2 16,-1.8 -2,-0.3 2,-0.5 -0.946 25.5-112.2-116.2 140.0 -1.6 22.6 6.5 16 16 A L E +B 30 0A 118 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.551 45.0 168.0 -64.8 116.1 -1.3 19.1 7.9 17 17 A S E - 0 0 45 12,-3.4 2,-0.3 -2,-0.5 13,-0.2 0.367 52.6 -58.7-117.1 7.4 -4.0 17.4 5.9 18 18 A G E -B 29 0A 14 11,-0.6 11,-2.3 2,-0.0 2,-0.3 -0.973 64.0 -69.5 147.5-163.5 -3.5 13.6 6.5 19 19 A V E -Bc 28 35A 47 15,-2.1 17,-2.5 -2,-0.3 2,-0.4 -0.944 26.0-143.8-124.4 152.8 -0.8 11.1 6.0 20 20 A b E -Bc 27 36A 0 7,-2.6 7,-2.0 -2,-0.3 2,-0.4 -0.881 19.5-161.7-100.7 148.4 0.8 9.5 2.9 21 21 A E E +Bc 26 37A 56 15,-2.2 17,-2.3 -2,-0.4 2,-0.4 -0.979 13.5 174.2-132.8 127.3 1.8 5.8 3.3 22 22 A I E > S-B 25 0A 31 3,-2.5 3,-1.9 -2,-0.4 17,-0.1 -0.944 73.2 -28.1-131.8 111.2 4.2 3.9 1.0 23 23 A S T 3 S- 0 0 124 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.879 127.3 -45.2 64.2 37.4 5.3 0.3 1.7 24 24 A G T 3 S+ 0 0 59 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.347 114.3 115.9 91.5 -8.0 4.8 0.8 5.5 25 25 A R E < - B 0 22A 184 -3,-1.9 -3,-2.5 0, 0.0 2,-0.3 -0.791 53.9-142.8-103.2 135.6 6.5 4.2 5.7 26 26 A L E + B 0 21A 112 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.783 19.5 175.1-109.8 150.6 4.6 7.3 6.7 27 27 A Y E - B 0 20A 25 -7,-2.0 -7,-2.6 -2,-0.3 2,-0.3 -0.907 34.4-106.5-141.6 154.1 4.7 10.9 5.5 28 28 A R E -AB 6 19A 90 -22,-2.5 -22,-3.2 -20,-0.3 2,-0.6 -0.688 25.3-135.4 -79.2 142.8 2.7 14.0 6.3 29 29 A X E -AB 5 18A 12 -11,-2.3 -12,-3.4 -2,-0.3 -11,-0.6 -0.916 26.1-171.8-100.1 123.9 0.3 15.2 3.6 30 30 A c E -AB 4 16A 0 -26,-2.4 -26,-2.9 -2,-0.6 2,-0.4 -0.974 2.3-164.1-127.1 116.5 0.7 19.0 3.4 31 31 A a E AB 3 15A 19 -16,-1.8 -16,-2.2 -2,-0.5 -28,-0.3 -0.946 360.0 360.0-115.2 137.7 -1.7 21.0 1.3 32 32 A R 0 0 181 -30,-2.8 -29,-0.1 -2,-0.4 -1,-0.1 0.337 360.0 360.0 -91.2 360.0 -1.2 24.6 0.1 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 77 0, 0.0 -15,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 122.2 -7.2 11.8 5.2 35 2 B T E -c 19 0A 64 -17,-0.2 30,-2.9 2,-0.0 2,-0.5 -0.914 360.0-172.3-104.9 124.3 -5.3 8.6 4.7 36 3 B d E -cD 20 64A 0 -17,-2.5 -15,-2.2 -2,-0.5 2,-0.5 -0.959 14.1-151.9-123.9 124.1 -3.5 8.3 1.4 37 4 B Y E -cD 21 63A 65 26,-2.7 26,-2.8 -2,-0.5 2,-0.8 -0.788 17.1-135.6 -87.0 130.0 -1.7 5.4 -0.1 38 5 B e E - D 0 62A 5 -17,-2.3 2,-0.3 -2,-0.5 24,-0.2 -0.783 34.6-167.1 -84.9 112.2 1.0 6.1 -2.6 39 6 B R E - D 0 61A 82 22,-3.1 22,-3.2 -2,-0.8 14,-0.2 -0.718 35.7-153.9-107.6 148.3 0.4 3.6 -5.4 40 7 B T S S+ 0 0 100 -2,-0.3 -1,-0.1 20,-0.2 2,-0.1 0.697 90.7 33.6 -82.3 -27.4 2.4 2.4 -8.3 41 8 B G S S- 0 0 33 1,-0.2 20,-0.3 20,-0.1 -2,-0.2 -0.240 111.2 -48.8-107.7-162.0 -0.9 1.5 -10.1 42 9 B R S S- 0 0 197 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.331 72.3 -85.6 -65.6 152.8 -4.5 2.9 -10.1 43 10 B f - 0 0 33 1,-0.1 -1,-0.1 -4,-0.1 6,-0.1 -0.200 47.7-105.7 -59.2 151.1 -6.2 3.7 -6.9 44 11 B A > - 0 0 42 1,-0.1 3,-2.6 -3,-0.1 -1,-0.1 -0.217 38.7 -94.0 -76.4 173.6 -8.0 0.9 -5.1 45 12 B T T 3 S+ 0 0 146 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.749 126.8 48.1 -66.0 -23.0 -11.9 0.7 -5.0 46 13 B R T 3 S+ 0 0 181 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.306 105.7 80.6 -94.6 6.8 -12.1 2.6 -1.7 47 14 B E < - 0 0 23 -3,-2.6 2,-0.4 -11,-0.0 18,-0.2 -0.851 60.1-149.9-124.3 153.4 -9.7 5.3 -2.9 48 15 B S E -E 64 0A 71 16,-2.7 16,-2.9 -2,-0.3 2,-0.5 -0.963 28.3-115.0-125.6 131.0 -9.7 8.5 -4.9 49 16 B L E +E 63 0A 102 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.486 42.9 162.7 -66.0 118.3 -6.8 9.9 -7.0 50 17 B S E - 0 0 60 12,-2.8 2,-0.3 -2,-0.5 -47,-0.2 0.279 57.7 -55.9-125.2 1.9 -5.9 13.2 -5.3 51 18 B G E -E 62 0A 32 11,-0.5 11,-2.4 -49,-0.1 2,-0.4 -0.978 67.8 -62.8 154.9-158.1 -2.4 14.0 -6.6 52 19 B V E -E 61 0A 77 -49,-0.3 2,-0.6 -2,-0.3 -47,-0.2 -0.955 28.4-140.6-123.6 143.6 1.0 12.4 -6.8 53 20 B e E -E 60 0A 0 7,-2.4 7,-2.3 -2,-0.4 2,-0.6 -0.923 14.1-162.7 -89.2 127.5 3.5 11.4 -4.1 54 21 B E E +E 59 0A 121 -2,-0.6 2,-0.5 5,-0.2 5,-0.2 -0.942 19.9 170.1-112.6 112.2 7.1 12.1 -5.0 55 22 B I E > -E 58 0A 15 3,-2.5 3,-1.3 -2,-0.6 -49,-0.1 -0.972 62.8 -19.1-130.2 118.1 9.2 10.1 -2.8 56 23 B S T 3 S- 0 0 125 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.918 127.5 -52.4 49.1 46.7 13.0 9.6 -3.1 57 24 B G T 3 S+ 0 0 79 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.649 116.6 108.9 69.8 19.4 12.8 10.7 -6.7 58 25 B R E < - E 0 55A 139 -3,-1.3 -3,-2.5 2,-0.0 2,-0.4 -0.932 61.4-129.6-125.3 149.6 10.0 8.3 -7.8 59 26 B L E + E 0 54A 116 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.826 26.2 176.1-105.7 138.9 6.4 9.2 -8.6 60 27 B Y E - E 0 53A 26 -7,-2.3 -7,-2.4 -2,-0.4 2,-0.4 -0.956 36.6-102.3-135.5 153.9 3.3 7.5 -7.2 61 28 B R E -DE 39 52A 84 -22,-3.2 -22,-3.1 -2,-0.3 2,-1.0 -0.624 32.1-137.5 -69.7 129.3 -0.5 7.9 -7.4 62 29 B X E -DE 38 51A 0 -11,-2.4 -12,-2.8 -2,-0.4 2,-0.8 -0.814 26.3-172.3 -91.7 103.8 -1.7 9.6 -4.2 63 30 B f E -DE 37 49A 0 -26,-2.8 -26,-2.7 -2,-1.0 2,-0.4 -0.858 5.2-159.1-110.8 105.3 -4.8 7.5 -3.6 64 31 B d E DE 36 48A 9 -16,-2.9 -16,-2.7 -2,-0.8 -28,-0.2 -0.708 360.0 360.0 -97.5 138.7 -6.9 8.9 -0.8 65 32 B R 0 0 148 -30,-2.9 -29,-0.1 -2,-0.4 -1,-0.1 0.554 360.0 360.0 -78.0 360.0 -9.5 7.2 1.4