==== 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 4E82 . COMPND 2 MOLECULE: DEFENSIN-5; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.PAZGIER . 62 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 58.1 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 35.5 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 . 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 . 7 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.5 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 0 4 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 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 A 0 0 109 0, 0.0 2,-0.5 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0-151.0 -4.9 1.1 -2.0 2 2 A T - 0 0 66 2,-0.0 30,-2.2 49,-0.0 2,-0.3 -0.985 360.0-177.5-116.7 110.8 -3.8 3.1 1.0 3 3 A a E -A 31 0A 17 47,-0.6 2,-0.3 -2,-0.5 28,-0.2 -0.856 17.4-172.4-118.9 149.7 -6.0 1.8 4.0 4 4 A Y E -A 30 0A 87 26,-2.5 26,-3.1 -2,-0.3 2,-0.6 -0.989 25.0-130.0-134.8 142.9 -6.4 2.5 7.7 5 5 A b E -A 29 0A 34 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.860 39.2-166.3 -88.4 120.0 -8.4 0.8 10.5 6 6 A R E -A 28 0A 84 22,-2.9 22,-1.7 -2,-0.6 14,-0.1 -0.877 34.0-158.1-118.7 143.4 -10.4 3.7 12.1 7 7 A T S S+ 0 0 119 -2,-0.4 -1,-0.1 20,-0.2 3,-0.1 0.795 89.3 38.8 -79.4 -33.8 -12.3 4.1 15.3 8 8 A G S S- 0 0 43 1,-0.3 20,-0.3 20,-0.1 -2,-0.1 -0.156 112.2 -54.2 -97.6-160.0 -14.3 7.0 13.9 9 9 A R - 0 0 201 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 -0.280 63.0 -93.5 -72.9 161.5 -15.7 7.4 10.5 10 10 A c - 0 0 26 1,-0.1 -1,-0.1 -3,-0.1 6,-0.1 -0.335 49.3 -93.0 -65.0 158.8 -13.7 7.2 7.3 11 11 A A > - 0 0 37 1,-0.1 3,-1.1 4,-0.1 -1,-0.1 -0.326 37.4-110.3 -66.7 157.9 -12.2 10.4 5.9 12 12 A T T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.833 121.6 50.5 -66.9 -26.9 -14.4 12.1 3.3 13 13 A R T 3 S+ 0 0 175 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.616 102.0 79.7 -82.2 -11.3 -11.8 11.1 0.6 14 14 A E S < S- 0 0 15 -3,-1.1 2,-0.4 16,-0.0 18,-0.2 -0.505 71.5-137.5 -93.0 163.2 -11.7 7.5 1.8 15 15 A S E -B 31 0A 77 16,-3.1 16,-2.5 -2,-0.2 2,-0.3 -0.966 25.4-112.4-119.6 134.0 -14.2 4.7 1.0 16 16 A L E +B 30 0A 116 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.563 43.4 170.4 -63.0 122.2 -15.5 2.2 3.6 17 17 A S E - 0 0 41 12,-3.4 2,-0.3 -2,-0.3 13,-0.2 0.302 52.4 -55.9-123.8 3.4 -13.9 -1.1 2.4 18 18 A G E -B 29 0A 26 11,-0.7 11,-2.5 17,-0.1 2,-0.3 -0.974 64.0 -73.3 150.1-164.6 -14.5 -3.6 5.1 19 19 A V E B 28 0A 78 15,-0.4 17,-0.7 -2,-0.3 9,-0.2 -0.974 360.0 360.0-127.7 154.0 -13.8 -4.0 8.8 20 20 A b 0 0 13 7,-2.6 7,-2.1 -2,-0.3 17,-0.1 -0.913 360.0 360.0-100.0 360.0 -10.6 -4.7 10.9 21 ! 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 22 22 A I > 0 0 39 0, 0.0 3,-1.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 112.5 -8.7 -5.7 16.6 23 23 A S T 3 - 0 0 117 1,-0.3 3,-0.1 0, 0.0 0, 0.0 0.911 360.0 -41.3 50.3 51.0 -8.7 -7.2 20.1 24 24 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.555 121.5 91.6 84.3 5.2 -12.3 -8.3 20.0 25 25 A R < - 0 0 175 -3,-1.2 2,-0.3 -5,-0.0 -1,-0.2 -0.972 68.8-122.8-132.1 153.1 -13.8 -5.2 18.4 26 26 A L - 0 0 132 -2,-0.3 2,-0.3 -3,-0.1 -7,-0.0 -0.711 24.3-173.5 -94.5 143.7 -14.5 -4.2 14.8 27 27 A Y - 0 0 41 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.2 -0.923 33.9 -97.5-126.4 153.3 -13.1 -1.0 13.3 28 28 A R E -AB 6 19A 102 -22,-1.7 -22,-2.9 -2,-0.3 2,-0.7 -0.530 27.0-139.6 -70.9 136.4 -13.9 0.5 9.9 29 29 A L E -AB 5 18A 0 -11,-2.5 -12,-3.4 -2,-0.2 -11,-0.7 -0.897 26.0-170.4 -93.4 115.5 -11.4 -0.3 7.1 30 30 A c E +AB 4 16A 0 -26,-3.1 -26,-2.5 -2,-0.7 2,-0.3 -0.947 6.5 178.5-115.0 124.7 -11.1 3.0 5.2 31 31 A a E AB 3 15A 12 -16,-2.5 -16,-3.1 -2,-0.5 -28,-0.2 -0.916 360.0 360.0-127.7 147.2 -9.2 3.1 1.9 32 32 A R 0 0 143 -30,-2.2 -29,-0.1 -2,-0.3 -1,-0.1 0.420 360.0 360.0-113.3 360.0 -8.4 5.7 -0.8 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 67 0, 0.0 2,-0.6 0, 0.0 -15,-0.4 0.000 360.0 360.0 360.0 155.3 -11.1 -6.4 1.7 35 2 B T + 0 0 56 -17,-0.1 30,-1.8 -15,-0.0 2,-0.3 -0.938 360.0 173.0-111.1 108.1 -10.5 -8.8 4.5 36 3 B d E -C 64 0B 3 -17,-0.7 2,-0.3 -2,-0.6 28,-0.2 -0.864 18.9-170.2-122.8 148.7 -7.7 -7.5 6.7 37 4 B Y E -C 63 0B 117 26,-2.1 26,-3.2 -2,-0.3 2,-0.8 -0.975 25.9-129.6-133.0 148.8 -6.0 -8.3 10.0 38 5 B e E -C 62 0B 27 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.887 41.6-173.4 -95.9 105.2 -3.5 -6.4 12.1 39 6 B R E -C 61 0B 81 22,-2.6 22,-3.0 -2,-0.8 14,-0.1 -0.808 37.1-164.8-110.7 141.7 -0.8 -9.1 12.7 40 7 B T S S+ 0 0 83 -2,-0.4 -1,-0.1 20,-0.2 3,-0.1 0.776 87.2 54.4 -88.8 -25.1 2.3 -9.2 14.9 41 8 B G S S- 0 0 40 1,-0.2 20,-0.3 20,-0.1 -2,-0.1 -0.171 110.7 -63.4 -86.8-170.6 3.5 -12.3 12.9 42 9 B R - 0 0 194 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.303 59.5 -96.7 -71.6 156.6 3.8 -12.6 9.1 43 10 B f - 0 0 31 1,-0.1 -1,-0.1 -4,-0.1 6,-0.1 -0.330 46.0 -96.1 -61.6 155.1 0.8 -12.2 6.9 44 11 B A > - 0 0 38 1,-0.1 3,-2.1 -3,-0.1 -1,-0.1 -0.386 35.6-111.8 -61.8 152.7 -0.9 -15.4 5.7 45 12 B T T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.847 121.4 54.9 -57.5 -29.6 0.3 -16.5 2.2 46 13 B R T 3 S+ 0 0 167 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.428 103.1 73.7 -85.2 -0.4 -3.1 -15.7 0.9 47 14 B E S < S- 0 0 15 -3,-2.1 2,-0.4 18,-0.1 18,-0.2 -0.702 71.5-139.3-103.9 166.8 -2.8 -12.1 2.3 48 15 B S E -D 64 0B 79 16,-2.6 16,-2.2 -2,-0.2 2,-0.4 -0.974 27.2-109.8-122.8 139.9 -0.7 -9.1 1.1 49 16 B L E +D 63 0B 114 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.548 44.1 171.9 -68.2 118.6 1.2 -6.7 3.3 50 17 B S E - 0 0 44 12,-3.3 -47,-0.6 -2,-0.4 2,-0.3 0.300 52.9 -61.3-117.0 5.9 -1.0 -3.6 2.8 51 18 B G E -D 62 0B 35 11,-0.5 11,-2.3 -49,-0.1 2,-0.3 -0.973 65.1 -70.8 141.1-160.3 0.4 -1.2 5.3 52 19 B V E D 61 0B 83 -2,-0.3 9,-0.2 9,-0.3 -14,-0.1 -0.972 360.0 360.0-133.5 149.7 0.8 -1.1 9.1 53 20 B e 0 0 27 7,-2.2 7,-2.4 -2,-0.3 -49,-0.0 -0.917 360.0 360.0-100.0 360.0 -1.7 -0.7 12.0 54 ! 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 55 22 B I > 0 0 60 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 110.6 -2.7 0.3 17.9 56 23 B S T 3 - 0 0 129 1,-0.3 3,-0.1 0, 0.0 0, 0.0 0.910 360.0 -49.4 46.3 51.2 -1.9 2.0 21.1 57 24 B G T 3 S+ 0 0 92 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.520 115.6 113.0 80.1 1.5 1.6 2.8 20.1 58 25 B R < - 0 0 144 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 -0.927 61.7-133.2-110.8 133.9 2.4 -0.8 18.9 59 26 B L + 0 0 117 -2,-0.4 2,-0.3 -3,-0.1 -7,-0.0 -0.689 25.3 178.8 -92.6 137.9 3.0 -1.5 15.2 60 27 B Y - 0 0 54 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.4 -0.934 34.6-105.7-127.6 153.3 1.3 -4.4 13.4 61 28 B R E -CD 39 52B 76 -22,-3.0 -22,-2.6 -2,-0.3 2,-0.8 -0.640 29.0-137.3 -70.8 131.0 1.4 -5.7 9.8 62 29 B L E -CD 38 51B 2 -11,-2.3 -12,-3.3 -2,-0.4 2,-0.6 -0.864 27.6-170.8 -89.6 110.3 -1.9 -4.8 8.0 63 30 B f E +CD 37 49B 0 -26,-3.2 -26,-2.1 -2,-0.8 2,-0.3 -0.934 9.8 172.4-111.5 117.7 -2.5 -8.0 6.1 64 31 B d E CD 36 48B 10 -16,-2.2 -16,-2.6 -2,-0.6 -28,-0.2 -0.874 360.0 360.0-130.2 150.2 -5.3 -8.0 3.6 65 32 B R 0 0 135 -30,-1.8 -29,-0.1 -2,-0.3 -1,-0.1 0.498 360.0 360.0-130.6 360.0 -6.9 -10.1 0.9