==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 10-MAY-05 1ZMM . COMPND 2 MOLECULE: NEUTROPHIL DEFENSIN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LUBKOWSKI,A.SZYK,W.LU . 128 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 65.6 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 . 67 52.3 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 . 4 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 . 12 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 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 . 0 0 1 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 V 0 0 140 0, 0.0 30,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.0 19.6 -7.9 7.7 2 2 A a E -A 30 0A 41 28,-0.2 2,-0.3 32,-0.2 32,-0.3 -0.852 360.0-179.6-125.7 148.9 19.7 -4.3 6.4 3 3 A S E -A 29 0A 27 26,-2.7 26,-2.9 -2,-0.3 2,-0.6 -0.988 30.0-120.0-145.2 153.3 18.3 -0.9 7.3 4 4 A b E -A 28 0A 24 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.849 38.1-169.5 -92.8 120.0 18.3 2.7 6.0 5 5 A R E -A 27 0A 43 22,-3.1 22,-2.7 -2,-0.6 14,-0.1 -0.930 26.0-139.0-118.2 144.3 19.9 4.9 8.7 6 6 A L S S- 0 0 69 -2,-0.4 3,-0.1 20,-0.2 -1,-0.1 0.744 89.6 -0.1 -73.2 -26.4 20.0 8.6 8.9 7 7 A V S S- 0 0 57 1,-0.4 2,-0.3 20,-0.1 -2,-0.1 0.500 118.8 -0.6-127.5 -84.8 23.6 9.1 10.1 8 8 A F - 0 0 154 18,-0.0 -1,-0.4 1,-0.0 2,-0.1 -0.778 63.8-110.0-117.3 156.4 25.9 6.1 10.8 9 9 A c - 0 0 34 -2,-0.3 6,-0.1 1,-0.1 19,-0.0 -0.470 47.3 -99.6 -71.0 153.2 25.7 2.3 10.6 10 10 A R > - 0 0 132 -2,-0.1 3,-2.2 1,-0.1 -1,-0.1 -0.267 35.3-103.1 -69.0 163.1 25.6 0.5 14.0 11 11 A R T 3 S+ 0 0 246 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.827 123.3 53.2 -57.9 -33.7 28.9 -1.0 15.2 12 12 A T T 3 S+ 0 0 105 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.347 104.1 74.2 -82.9 4.9 27.6 -4.5 14.2 13 13 A E < - 0 0 17 -3,-2.2 2,-0.4 16,-0.0 18,-0.2 -0.799 65.3-141.4-119.9 159.3 26.9 -3.4 10.6 14 14 A L E -B 30 0A 128 16,-2.8 16,-2.6 -2,-0.3 2,-0.5 -0.927 29.8-109.9-115.4 148.3 28.7 -2.5 7.4 15 15 A R E +B 29 0A 154 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.635 39.1 169.4 -76.8 119.8 27.8 0.2 5.0 16 16 A V E - 0 0 62 12,-3.1 38,-0.5 -2,-0.5 2,-0.3 0.668 57.0 -58.3-103.8 -24.2 26.5 -1.4 1.8 17 17 A G E -B 28 0A 5 11,-1.5 11,-2.8 36,-0.2 2,-0.3 -0.923 62.5 -65.6 176.9-147.2 25.1 1.6 -0.1 18 18 A N E -BC 27 52A 41 34,-2.4 34,-3.0 9,-0.3 2,-0.3 -0.834 25.5-148.1-131.0 160.8 22.6 4.5 0.2 19 19 A b E -BC 26 51A 0 7,-2.1 7,-2.7 -2,-0.3 2,-0.4 -0.959 1.2-159.5-124.2 151.6 18.9 5.1 0.4 20 20 A L E +BC 25 50A 76 30,-2.2 30,-2.4 -2,-0.3 2,-0.4 -0.984 21.7 164.9-128.4 112.5 16.8 8.0 -0.9 21 21 A I E > S-B 24 0A 35 3,-2.3 3,-2.1 -2,-0.4 28,-0.2 -0.989 70.5 -16.1-134.8 120.6 13.4 8.3 0.8 22 22 A G T 3 S- 0 0 81 26,-0.5 3,-0.1 -2,-0.4 27,-0.1 0.812 126.9 -54.5 54.1 37.8 11.2 11.4 0.5 23 23 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.325 114.7 115.6 82.7 -13.1 14.2 13.5 -0.7 24 24 A V E < - B 0 21A 72 -3,-2.1 -3,-2.3 0, 0.0 2,-0.3 -0.793 60.2-134.2 -95.8 136.3 16.4 12.5 2.3 25 25 A S E - B 0 20A 82 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.713 24.8-178.9 -92.6 138.3 19.5 10.5 1.9 26 26 A F E - B 0 19A 37 -7,-2.7 -7,-2.1 -2,-0.3 2,-0.4 -0.851 29.2-114.7-125.4 161.6 20.3 7.6 4.2 27 27 A T E -AB 5 18A 30 -22,-2.7 -22,-3.1 -2,-0.3 2,-0.7 -0.853 27.5-134.6 -94.8 135.8 23.1 5.1 4.6 28 28 A Y E -AB 4 17A 18 -11,-2.8 -12,-3.1 -2,-0.4 -11,-1.5 -0.866 28.6-172.2 -96.4 116.0 22.2 1.5 3.9 29 29 A c E -AB 3 15A 0 -26,-2.9 -26,-2.7 -2,-0.7 2,-0.4 -0.902 9.1-168.5-116.6 132.9 23.6 -0.7 6.6 30 30 A a E AB 2 14A 23 -16,-2.6 -16,-2.8 -2,-0.4 -28,-0.2 -0.972 360.0 360.0-126.1 143.1 23.7 -4.5 6.8 31 31 A T 0 0 102 -30,-2.6 -1,-0.1 -2,-0.4 -29,-0.1 0.901 360.0 360.0 -59.5 360.0 24.5 -6.7 9.8 32 !* 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 33 1 B V 0 0 117 0, 0.0 30,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 144.5 10.4 -5.1 7.0 34 2 B d E -D 62 0A 42 -32,-0.3 2,-0.3 28,-0.2 28,-0.2 -0.912 360.0-169.3-118.4 148.0 11.9 -3.3 4.0 35 3 B S E -D 61 0A 29 26,-2.7 26,-2.9 -2,-0.4 2,-0.7 -0.985 23.6-129.6-137.5 143.4 13.7 -4.8 1.1 36 4 B e E -D 60 0A 28 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.881 36.4-178.6 -93.5 111.6 15.8 -3.5 -1.8 37 5 B R E -D 59 0A 53 22,-2.6 22,-3.4 -2,-0.7 14,-0.1 -0.941 30.7-130.3-117.7 144.4 14.4 -5.1 -5.0 38 6 B L S S- 0 0 111 -2,-0.4 3,-0.1 20,-0.2 -1,-0.1 0.815 88.4 -12.7 -61.9 -41.5 15.6 -4.7 -8.5 39 7 B V S S+ 0 0 86 1,-0.4 2,-0.3 20,-0.1 -1,-0.1 0.654 119.5 26.3-129.8 -55.8 12.3 -3.9 -10.3 40 8 B F - 0 0 169 19,-0.1 -1,-0.4 21,-0.0 2,-0.2 -0.904 61.2-128.5-124.7 149.9 9.0 -4.5 -8.5 41 9 B f - 0 0 40 -2,-0.3 2,-0.1 1,-0.1 6,-0.1 -0.501 39.3-101.3 -79.3 155.9 7.8 -4.5 -4.9 42 10 B R > - 0 0 147 -2,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.327 35.7-104.3 -69.8 164.2 5.8 -7.5 -3.7 43 11 B R T 3 S+ 0 0 255 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.655 122.1 54.6 -69.9 -16.2 2.0 -7.2 -3.5 44 12 B T T 3 S+ 0 0 108 2,-0.0 20,-0.5 19,-0.0 2,-0.3 0.258 101.9 80.2 -94.7 6.0 2.2 -6.9 0.3 45 13 B E < - 0 0 28 -3,-1.8 2,-0.4 18,-0.2 18,-0.3 -0.870 65.5-143.3-121.9 151.2 4.7 -4.0 0.0 46 14 B L E - E 0 62A 123 16,-2.9 16,-2.6 -2,-0.3 2,-0.6 -0.905 28.1-117.3-106.4 135.9 4.6 -0.3 -0.7 47 15 B R E + E 0 61A 140 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.635 40.0 168.2 -66.8 118.2 7.3 1.5 -2.7 48 16 B V E - 0 0 54 12,-3.1 -26,-0.5 -2,-0.6 2,-0.3 0.663 55.4 -60.2-107.8 -26.7 8.9 3.9 -0.2 49 17 B G E - E 0 60A 3 11,-1.3 11,-2.8 -28,-0.2 2,-0.3 -0.919 63.7 -63.8 176.8-143.9 12.0 5.1 -2.1 50 18 B N E -CE 20 59A 41 -30,-2.4 -30,-2.2 9,-0.3 2,-0.4 -0.886 22.8-148.4-133.7 155.9 15.2 3.8 -3.6 51 19 B e E -CE 19 58A 2 7,-2.2 7,-2.8 -2,-0.3 2,-0.5 -0.950 8.6-154.5-114.8 149.9 18.4 2.0 -2.6 52 20 B L E +CE 18 57A 79 -34,-3.0 -34,-2.4 -2,-0.4 2,-0.4 -0.979 22.0 168.2-124.2 113.4 21.7 2.5 -4.4 53 21 B I E > - E 0 56A 43 3,-2.5 3,-1.7 -2,-0.5 -36,-0.2 -0.987 69.6 -15.0-129.8 120.6 24.1 -0.5 -4.1 54 22 B G T 3 S- 0 0 80 -38,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.819 127.6 -54.7 56.6 34.9 27.2 -0.9 -6.1 55 23 B G T 3 S+ 0 0 66 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.483 115.0 116.7 81.5 3.2 26.0 1.8 -8.6 56 24 B V E < - E 0 53A 67 -3,-1.7 -3,-2.5 0, 0.0 2,-0.4 -0.877 60.7-132.9-110.3 134.6 22.8 -0.0 -9.2 57 25 B S E + E 0 52A 70 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.709 25.9 179.5 -88.4 134.7 19.4 1.4 -8.3 58 26 B F E - E 0 51A 41 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.5 -0.862 30.9-110.4-122.4 158.8 16.8 -0.7 -6.5 59 27 B T E -DE 37 50A 21 -22,-3.4 -22,-2.6 -2,-0.3 2,-0.7 -0.816 24.9-136.4 -88.7 133.1 13.3 0.0 -5.2 60 28 B Y E -DE 36 49A 17 -11,-2.8 -12,-3.1 -2,-0.5 -11,-1.3 -0.844 28.6-173.6 -92.4 110.8 13.0 0.2 -1.4 61 29 B f E -DE 35 47A 0 -26,-2.9 -26,-2.7 -2,-0.7 2,-0.4 -0.932 3.0-170.9-115.9 129.0 9.8 -1.7 -0.7 62 30 B d E -DE 34 46A 17 -16,-2.6 -16,-2.9 -2,-0.4 -28,-0.2 -0.948 19.7-132.9-124.1 138.7 8.2 -1.9 2.8 63 31 B T - 0 0 44 -30,-2.3 -18,-0.2 -2,-0.4 -19,-0.0 -0.450 41.1-102.3 -72.0 164.7 5.4 -3.9 4.4 64 32 B R 0 0 232 -20,-0.5 -1,-0.1 -2,-0.1 -19,-0.1 0.890 360.0 360.0 -56.5 -43.3 3.0 -1.9 6.5 65 33 B V 0 0 129 -32,-0.1 -2,-0.1 56,-0.0 -1,-0.1 -0.903 360.0 360.0-139.2 360.0 4.6 -3.1 9.7 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 V 0 0 143 0, 0.0 30,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.7 4.0 13.5 28.7 68 2 C g E -F 96 0B 46 28,-0.2 2,-0.3 32,-0.2 28,-0.2 -0.881 360.0-174.3-119.5 151.5 4.7 10.2 27.0 69 3 C S E -F 95 0B 25 26,-2.8 26,-2.9 -2,-0.3 2,-0.7 -0.997 29.2-126.0-141.4 143.5 5.3 6.7 28.5 70 4 C h E -F 94 0B 22 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.825 40.4-161.8 -82.5 114.5 6.3 3.3 27.2 71 5 C R E -F 93 0B 53 22,-3.2 22,-2.8 -2,-0.7 14,-0.2 -0.855 23.6-147.1-110.0 137.5 3.5 1.1 28.6 72 6 C L S S- 0 0 123 -2,-0.4 -1,-0.1 20,-0.2 3,-0.1 0.733 88.6 -0.6 -69.8 -28.4 3.5 -2.7 29.0 73 7 C V S S+ 0 0 96 1,-0.4 2,-0.3 20,-0.1 -2,-0.1 0.359 118.1 2.8-126.6 -97.2 -0.2 -3.2 28.4 74 8 C F - 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G 0 87B 70 -3,-2.1 -3,-2.3 1,-0.0 2,-0.3 -0.805 59.9-132.4 -97.4 137.3 10.0 -6.6 25.3 91 25 C S E - G 0 86B 94 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.697 25.3-179.7 -91.2 139.6 7.4 -4.6 23.3 92 26 C F E - G 0 85B 33 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.5 -0.865 28.9-118.0-128.4 158.7 5.6 -1.6 24.8 93 27 C T E -FG 71 84B 34 -22,-2.8 -22,-3.2 -2,-0.3 2,-0.7 -0.900 26.4-134.2 -96.5 131.0 3.0 0.8 23.5 94 28 C Y E -FG 70 83B 21 -11,-2.8 -12,-3.2 -2,-0.5 -11,-1.5 -0.785 31.6-177.1 -89.7 114.0 4.2 4.4 23.3 95 29 C i E -FG 69 81B 0 -26,-2.9 -26,-2.8 -2,-0.7 2,-0.4 -0.930 7.6-170.7-119.5 135.6 1.4 6.4 24.8 96 30 C g E FG 68 80B 19 -16,-2.7 -16,-2.7 -2,-0.4 -28,-0.2 -0.947 360.0 360.0-128.6 146.1 1.2 10.3 25.2 97 31 C T 0 0 104 -30,-2.4 -1,-0.1 -2,-0.4 -29,-0.1 0.778 360.0 360.0 -75.6 360.0 -1.1 12.6 26.9 98 !* 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 99 1 D V 0 0 125 0, 0.0 30,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.0 13.2 10.9 32.5 100 2 D j E -I 128 0B 45 28,-0.3 2,-0.3 -32,-0.2 28,-0.3 -0.889 360.0-177.9-113.6 144.1 13.1 9.0 29.2 101 3 D S E -I 127 0B 33 26,-2.8 26,-3.0 -2,-0.4 2,-0.7 -0.969 28.9-125.7-139.9 144.0 12.8 10.5 25.7 102 4 D k E -I 126 0B 28 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.867 37.8-177.0 -90.6 115.5 12.5 9.3 22.2 103 5 D R E -I 125 0B 52 22,-2.8 22,-3.2 -2,-0.7 14,-0.2 -0.910 29.2-131.4-119.5 146.4 15.4 10.9 20.2 104 6 D L S S- 0 0 82 -2,-0.4 -98,-0.1 20,-0.2 -1,-0.1 0.886 86.8 -14.1 -68.9 -41.5 16.1 10.6 16.5 105 7 D V S S+ 0 0 56 1,-0.4 2,-0.3 19,-0.1 -1,-0.1 0.745 119.1 27.9-127.6 -55.5 19.8 9.9 16.5 106 8 D F - 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