==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 23-APR-09 3H6C . COMPND 2 MOLECULE: NEUTROPHIL DEFENSIN 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.PAZGIER,W.LU . 60 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 39 65.0 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 . 30 50.0 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 3.3 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.7 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 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 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 78 0, 0.0 2,-0.3 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 153.5 12.9 16.8 11.7 2 2 A a B +A 33 0A 24 31,-0.9 31,-2.0 28,-0.2 2,-0.3 -0.773 360.0 174.7-103.1 145.7 10.4 14.0 12.3 3 3 A Y E -B 29 0B 93 26,-2.5 26,-2.9 -2,-0.3 2,-0.5 -0.951 31.8-122.6-141.7 155.3 9.8 12.0 15.5 4 4 A b E +B 28 0B 25 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.917 41.9 174.2 -98.4 132.3 7.5 9.4 16.9 5 5 A R E -B 27 0B 70 22,-2.3 22,-3.3 -2,-0.5 14,-0.1 -0.983 25.3-108.3-141.4 147.2 5.8 10.6 20.1 6 6 A I S S- 0 0 89 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.990 89.8 -8.9-121.5 135.3 3.2 9.5 22.6 7 7 A P S S- 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.995 125.9 -15.1 -99.1 -3.5 0.5 10.7 22.9 8 8 A A - 0 0 55 19,-0.1 -2,-0.1 -4,-0.0 21,-0.1 -0.958 69.0 -85.1-153.4 165.9 0.8 13.7 20.6 9 9 A c - 0 0 31 -2,-0.3 2,-0.2 1,-0.1 6,-0.1 -0.216 49.8-108.3 -69.5 161.8 3.1 15.9 18.8 10 10 A I > - 0 0 92 1,-0.1 3,-2.7 4,-0.1 -1,-0.1 -0.623 51.0 -70.6 -93.4 161.2 4.7 18.8 20.6 11 11 A A T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.185 123.5 27.5 -48.6 130.8 3.6 22.5 19.9 12 12 A G T 3 S+ 0 0 86 1,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.093 103.1 98.4 99.6 -22.2 4.8 23.6 16.5 13 13 A E < - 0 0 38 -3,-2.7 -1,-0.4 16,-0.0 2,-0.4 -0.475 62.5-141.8 -93.0 165.3 4.8 20.1 15.0 14 14 A R - 0 0 178 16,-2.4 16,-2.6 -2,-0.1 2,-0.6 -0.991 17.3-123.0-125.6 140.2 2.1 18.5 12.8 15 15 A R E +C 29 0B 125 -2,-0.4 14,-0.3 14,-0.2 3,-0.1 -0.736 31.0 172.8 -80.3 121.5 1.0 14.9 13.0 16 16 A Y E - 0 0 120 12,-2.9 37,-0.4 -2,-0.6 2,-0.3 0.605 59.7 -47.0-101.6 -15.0 1.4 13.3 9.7 17 17 A G E -C 28 0B 14 11,-1.1 11,-2.6 35,-0.1 2,-0.3 -0.903 67.9 -66.8 176.7-152.9 0.6 9.7 10.6 18 18 A T E -CD 27 51B 25 33,-2.4 33,-3.2 -2,-0.3 2,-0.4 -0.927 28.8-146.3-134.6 148.8 1.3 7.0 13.0 19 19 A b E -CD 26 50B 0 7,-2.6 7,-2.7 -2,-0.3 2,-0.6 -0.938 4.5-151.3-114.1 148.7 4.3 4.9 14.0 20 20 A I E +CD 25 49B 73 29,-3.1 29,-2.3 -2,-0.4 2,-0.3 -0.974 35.6 153.4-113.2 116.9 4.4 1.3 15.2 21 21 A Y E > -C 24 0B 90 3,-2.4 3,-1.8 -2,-0.6 27,-0.1 -0.974 61.6 -8.9-151.6 126.1 7.5 0.9 17.4 22 22 A A T 3 S- 0 0 60 25,-0.5 3,-0.1 -2,-0.3 26,-0.1 0.784 125.4 -56.7 57.5 34.1 8.3 -1.5 20.2 23 23 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.552 117.6 100.1 76.5 9.6 4.7 -2.8 20.3 24 24 A R E < S- C 0 21B 162 -3,-1.8 -3,-2.4 0, 0.0 2,-0.5 -0.865 70.8-120.2-120.7 165.0 3.1 0.6 20.8 25 25 A L E - C 0 20B 110 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.884 34.3-177.7-107.2 125.3 1.4 3.2 18.6 26 26 A W E - C 0 19B 59 -7,-2.7 -7,-2.6 -2,-0.5 2,-0.4 -0.830 31.4-105.4-121.9 156.4 2.9 6.7 18.3 27 27 A A E -BC 5 18B 2 -22,-3.3 -22,-2.3 -2,-0.3 2,-0.6 -0.694 29.3-136.6 -75.5 135.3 2.1 9.9 16.6 28 28 A F E -BC 4 17B 11 -11,-2.6 -12,-2.9 -2,-0.4 -11,-1.1 -0.887 32.2-172.2 -95.9 116.4 4.4 10.6 13.6 29 29 A c E BC 3 15B 0 -26,-2.9 -26,-2.5 -2,-0.6 -14,-0.2 -0.936 360.0 360.0-124.6 126.8 5.3 14.2 14.0 30 30 A a 0 0 57 -16,-2.6 -16,-2.4 -2,-0.4 -28,-0.2 -0.791 360.0 360.0-134.6 360.0 7.2 16.6 11.7 31 !* 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 32 1 B A 0 0 61 0, 0.0 2,-0.3 0, 0.0 -29,-0.1 0.000 360.0 360.0 360.0 121.0 15.8 13.1 12.7 33 2 B d B -A 2 0A 15 -31,-2.0 -31,-0.9 28,-0.2 2,-0.3 -0.723 360.0-160.3-110.2 168.5 13.9 10.1 11.6 34 3 B Y E -E 60 0B 110 26,-2.6 26,-3.2 -2,-0.3 2,-0.5 -0.956 20.2-126.3-142.8 159.2 12.2 9.4 8.3 35 4 B e E +E 59 0B 25 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.944 38.7 177.5-104.9 125.9 9.6 7.2 6.7 36 5 B R E -E 58 0B 64 22,-2.3 22,-3.2 -2,-0.5 14,-0.1 -0.986 23.3-113.0-135.7 144.9 11.0 5.3 3.6 37 6 B I S S- 0 0 94 -2,-0.4 20,-0.1 20,-0.2 -2,-0.0 -0.990 90.3 -10.8-119.1 131.8 9.7 2.7 1.1 38 7 B P S S- 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.997 128.0 -11.1 -94.3 -7.7 10.7 -0.1 0.9 39 8 B A - 0 0 56 19,-0.1 -2,-0.1 -4,-0.1 21,-0.1 -0.955 68.5 -87.2-146.9 163.1 13.7 0.3 3.2 40 9 B f - 0 0 31 -2,-0.3 2,-0.2 -4,-0.1 6,-0.1 -0.220 45.6-118.3 -59.7 159.1 16.0 2.5 5.1 41 10 B I > - 0 0 93 1,-0.1 3,-1.6 4,-0.1 -1,-0.1 -0.484 44.8 -71.5 -88.0 171.0 19.0 4.0 3.4 42 11 B A T 3 S+ 0 0 99 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.366 122.0 37.5 -61.4 140.7 22.7 3.4 4.4 43 12 B G T 3 S+ 0 0 84 1,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.182 102.5 99.5 99.9 -15.3 23.5 5.2 7.7 44 13 B E < - 0 0 36 -3,-1.6 2,-0.4 16,-0.0 -1,-0.4 -0.705 59.2-150.6-111.3 153.2 20.1 4.5 9.1 45 14 B R - 0 0 170 16,-2.4 16,-2.4 -2,-0.3 2,-0.5 -0.973 24.7-124.0-113.3 135.1 18.7 1.9 11.4 46 15 B R E + F 0 60B 117 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.706 29.8 174.8 -75.7 125.2 15.1 0.7 11.1 47 16 B Y E - 0 0 107 12,-3.4 -25,-0.5 -2,-0.5 2,-0.3 0.644 58.6 -57.3-102.6 -12.9 13.2 1.2 14.4 48 17 B G E - F 0 59B 15 11,-1.0 11,-2.8 -27,-0.1 2,-0.3 -0.891 68.8 -57.7 163.7-152.5 9.7 0.2 13.3 49 18 B T E -DF 20 58B 32 -29,-2.3 -29,-3.1 -2,-0.3 2,-0.4 -0.944 31.2-142.3-132.7 146.1 7.0 1.1 10.7 50 19 B e E -DF 19 57B 0 7,-2.6 7,-2.4 -2,-0.3 2,-0.6 -0.911 3.3-153.0-106.6 149.7 5.1 4.2 9.7 51 20 B I E +DF 18 56B 64 -33,-3.2 -33,-2.4 -2,-0.4 2,-0.3 -0.975 36.1 154.7-115.8 110.0 1.5 4.4 8.7 52 21 B Y E > - F 0 55B 85 3,-2.3 3,-1.7 -2,-0.6 -35,-0.1 -0.976 60.9 -11.3-143.9 129.0 1.4 7.4 6.5 53 22 B A T 3 S- 0 0 58 -37,-0.4 3,-0.1 -2,-0.3 -36,-0.1 0.838 125.8 -55.0 55.1 37.5 -1.1 8.3 3.6 54 23 B G T 3 S+ 0 0 78 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.608 118.8 99.5 75.7 8.5 -2.5 4.8 3.5 55 24 B R E < - F 0 52B 161 -3,-1.7 -3,-2.3 2,-0.0 2,-0.4 -0.856 69.9-121.9-121.6 159.7 0.8 3.1 3.0 56 25 B L E - F 0 51B 118 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.882 33.5-178.0-100.7 136.2 3.3 1.3 5.3 57 26 B W E - F 0 50B 60 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.3 -0.906 33.1-102.6-130.6 154.4 6.9 2.6 5.5 58 27 B A E -EF 36 49B 2 -22,-3.2 -22,-2.3 -2,-0.3 2,-0.7 -0.651 32.7-135.8 -71.4 134.5 10.1 1.7 7.2 59 28 B F E -EF 35 48B 10 -11,-2.8 -12,-3.4 -2,-0.3 -11,-1.0 -0.892 34.4-176.9 -97.3 115.2 10.7 4.0 10.2 60 29 B f E EF 34 46B 0 -26,-3.2 -26,-2.6 -2,-0.7 -14,-0.2 -0.910 360.0 360.0-124.1 134.2 14.4 5.0 9.9 61 30 B d 0 0 63 -16,-2.4 -16,-2.4 -2,-0.4 -28,-0.2 -1.000 360.0 360.0-132.8 360.0 16.8 7.0 12.0