==== 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 03-FEB-10 3LO2 . 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) . 4320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 68.3 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 . 7 11.7 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 . 0 0 2 0 1 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 0 106 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.2 0.9 2.8 -11.2 2 2 A a - 0 0 57 28,-0.1 2,-0.3 31,-0.1 28,-0.2 -0.748 360.0-170.8-101.4 153.6 4.5 1.6 -10.8 3 3 A Y E -A 29 0A 116 26,-2.6 26,-3.0 -2,-0.3 2,-0.6 -0.997 30.2-130.7-144.8 142.8 6.5 2.3 -7.6 4 4 A b E -A 28 0A 23 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.868 47.4-171.2 -85.8 125.9 10.0 2.0 -6.1 5 5 A R E -A 27 0A 57 22,-3.0 22,-3.0 -2,-0.6 14,-0.1 -0.940 19.4-127.7-129.1 144.6 9.3 0.2 -2.8 6 6 A I S S+ 0 0 76 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.995 90.5 7.5-123.2 133.9 11.1 -0.8 0.4 7 7 A P S S- 0 0 127 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.998 126.3 -41.7 -94.2 -8.8 11.1 -3.6 1.6 8 8 A A - 0 0 56 19,-0.1 -2,-0.1 -4,-0.0 21,-0.1 -0.971 66.7 -70.9-166.6 168.1 9.5 -5.4 -1.3 9 9 A c - 0 0 36 -2,-0.3 2,-0.2 -4,-0.1 6,-0.1 -0.297 51.9-114.1 -66.2 159.5 6.7 -5.2 -3.9 10 10 A I > - 0 0 94 1,-0.1 3,-2.4 4,-0.1 -1,-0.1 -0.583 42.6 -77.4 -94.9 155.2 3.1 -5.6 -2.8 11 11 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.298 122.1 34.3 -48.2 137.0 0.7 -8.4 -3.7 12 12 A G T 3 S+ 0 0 80 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.017 105.1 91.2 100.0 -22.8 -0.5 -7.9 -7.2 13 13 A E < - 0 0 31 -3,-2.4 -1,-0.4 16,-0.0 2,-0.4 -0.660 63.3-145.6 -98.4 161.1 2.8 -6.3 -8.4 14 14 A R - 0 0 171 16,-2.9 16,-2.2 -2,-0.2 2,-1.0 -0.933 24.1-116.5-118.9 149.0 5.8 -7.9 -9.9 15 15 A R E +B 29 0A 153 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.742 37.8 170.0 -83.5 102.7 9.4 -6.8 -9.3 16 16 A Y E - 0 0 140 12,-1.8 37,-0.7 -2,-1.0 2,-0.3 0.546 60.5 -40.7 -88.2 -11.4 10.6 -5.7 -12.7 17 17 A G E -BC 28 52A 11 11,-1.5 11,-2.3 35,-0.2 2,-0.3 -0.909 64.3 -73.7-178.1-152.4 13.7 -4.1 -11.4 18 18 A T E -BC 27 51A 31 33,-1.9 33,-3.0 9,-0.3 2,-0.4 -0.973 24.8-150.9-138.3 141.6 15.6 -2.0 -8.9 19 19 A b E -BC 26 50A 0 7,-2.4 7,-2.4 -2,-0.3 2,-0.5 -0.927 0.9-159.7-110.5 147.9 15.8 1.6 -8.0 20 20 A I E +BC 25 49A 79 29,-3.0 29,-2.3 -2,-0.4 2,-0.3 -0.984 35.4 141.9-121.3 114.6 18.7 3.4 -6.5 21 21 A A E > +BC 24 48A 2 3,-2.4 3,-1.7 -2,-0.5 27,-0.2 -0.979 59.6 11.5-156.2 141.4 17.6 6.7 -4.9 22 22 A Q T 3 S- 0 0 135 25,-1.1 3,-0.1 -2,-0.3 26,-0.1 0.769 128.5 -63.7 59.1 27.6 18.4 8.7 -1.7 23 23 A G T 3 S+ 0 0 82 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.650 116.6 107.0 74.2 15.2 21.5 6.4 -1.4 24 24 A R E < - B 0 21A 133 -3,-1.7 -3,-2.4 0, 0.0 2,-0.4 -0.885 69.0-118.3-127.3 157.1 19.2 3.4 -0.9 25 25 A L E + B 0 20A 124 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.751 32.5 179.7 -94.5 140.9 18.1 0.3 -2.8 26 26 A W E - B 0 19A 54 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.4 -0.952 31.2-112.8-133.5 155.3 14.4 -0.2 -3.7 27 27 A A E -AB 5 18A 6 -22,-3.0 -22,-3.0 -2,-0.3 2,-0.7 -0.733 27.5-136.2 -81.1 137.2 12.4 -2.8 -5.6 28 28 A F E -AB 4 17A 24 -11,-2.3 -12,-1.8 -2,-0.4 -11,-1.5 -0.882 34.8-175.4 -96.8 118.8 10.9 -1.5 -8.8 29 29 A c E AB 3 15A 0 -26,-3.0 -26,-2.6 -2,-0.7 -14,-0.2 -0.902 360.0 360.0-126.5 136.0 7.3 -2.8 -8.8 30 30 A a 0 0 63 -16,-2.2 -16,-2.9 -2,-0.4 -28,-0.1 -0.984 360.0 360.0-158.0 360.0 4.4 -2.7 -11.2 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 0 106 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.3 4.4 11.0 -7.9 33 2 B d - 0 0 51 28,-0.2 2,-0.3 -31,-0.2 28,-0.2 -0.819 360.0-167.9-106.8 157.3 7.8 9.6 -9.0 34 3 B Y E -D 60 0A 117 26,-2.6 26,-2.9 -2,-0.3 2,-0.5 -0.999 25.8-130.9-143.1 141.2 8.7 7.9 -12.3 35 4 B e E -D 59 0A 19 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.831 43.7-175.8 -84.9 126.6 11.4 5.9 -13.9 36 5 B R E -D 58 0A 73 22,-3.1 22,-3.2 -2,-0.5 14,-0.2 -0.951 19.7-118.2-131.7 145.9 12.1 7.6 -17.3 37 6 B I S S- 0 0 70 -2,-0.3 20,-0.1 20,-0.2 -2,-0.0 -0.999 90.2 -1.9-124.2 131.5 14.2 7.2 -20.4 38 7 B P S S- 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.991 125.0 -30.2-100.1 -0.7 16.2 9.0 -21.4 39 8 B A - 0 0 50 19,-0.1 -2,-0.1 -4,-0.0 21,-0.1 -0.975 65.0 -79.5-165.5 168.0 15.9 11.8 -18.7 40 9 B f - 0 0 34 -2,-0.3 2,-0.3 19,-0.1 6,-0.1 -0.361 48.0-121.3 -72.3 162.2 13.6 13.6 -16.3 41 10 B I > - 0 0 97 1,-0.1 3,-1.9 4,-0.1 -1,-0.1 -0.705 36.7 -79.7-102.6 160.2 11.3 16.3 -17.7 42 11 B A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 -0.289 121.2 41.3 -52.5 136.5 11.1 20.0 -16.8 43 12 B G T 3 S+ 0 0 84 1,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.308 106.7 81.7 98.3 -5.3 9.1 20.2 -13.5 44 13 B E < - 0 0 42 -3,-1.9 -1,-0.4 -11,-0.0 2,-0.4 -0.876 65.6-141.6-126.3 162.6 10.8 17.1 -12.1 45 14 B R - 0 0 172 16,-2.8 16,-2.5 -2,-0.3 2,-0.6 -0.951 23.0-118.1-122.8 140.9 14.1 16.5 -10.3 46 15 B R E + E 0 60A 140 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.705 34.8 168.5 -78.9 116.4 16.4 13.4 -10.7 47 16 B Y E - 0 0 96 12,-2.6 -25,-1.1 -2,-0.6 2,-0.3 0.348 61.3 -46.5-103.3 -2.0 16.6 11.6 -7.4 48 17 B G E -CE 21 59A 15 11,-1.2 11,-2.4 -27,-0.2 2,-0.3 -0.973 63.9 -71.1 167.5-153.3 18.3 8.4 -8.7 49 18 B T E -CE 20 58A 34 -29,-2.3 -29,-3.0 -2,-0.3 2,-0.3 -0.987 26.6-148.6-141.0 143.6 18.4 5.7 -11.3 50 19 B e E -CE 19 57A 0 7,-2.6 7,-2.4 -2,-0.3 2,-0.5 -0.870 3.3-154.4-113.6 152.4 16.2 2.7 -12.1 51 20 B I E +CE 18 56A 74 -33,-3.0 -33,-1.9 -2,-0.3 2,-0.3 -0.983 35.9 136.9-122.4 119.4 17.3 -0.6 -13.6 52 21 B A E > +CE 17 55A 3 3,-2.0 3,-2.2 -2,-0.5 -35,-0.2 -0.973 60.8 12.1-161.4 145.4 14.5 -2.5 -15.5 53 22 B Q T 3 S- 0 0 162 -37,-0.7 3,-0.1 -2,-0.3 -36,-0.1 0.820 127.0 -62.2 54.3 35.1 14.2 -4.4 -18.8 54 23 B G T 3 S+ 0 0 81 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.683 116.6 106.0 68.7 18.7 18.0 -4.5 -19.2 55 24 B R E < - E 0 52A 146 -3,-2.2 -3,-2.0 -18,-0.0 2,-0.4 -0.879 68.7-121.9-132.3 155.5 18.1 -0.7 -19.4 56 25 B L E - E 0 51A 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.824 31.4-174.8 -96.6 142.5 19.0 2.3 -17.2 57 26 B W E - E 0 50A 52 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.4 -0.936 27.7-114.0-133.2 151.5 16.4 4.9 -16.4 58 27 B A E -DE 36 49A 3 -22,-3.2 -22,-3.1 -2,-0.3 2,-0.6 -0.705 26.0-137.2 -80.8 139.3 16.3 8.3 -14.5 59 28 B F E -DE 35 48A 24 -11,-2.4 -12,-2.6 -2,-0.4 -11,-1.2 -0.913 32.2-175.0 -99.8 121.3 14.3 8.2 -11.3 60 29 B f E DE 34 46A 0 -26,-2.9 -26,-2.6 -2,-0.6 -14,-0.2 -0.951 360.0 360.0-130.4 131.3 12.3 11.5 -11.3 61 30 B d 0 0 62 -16,-2.5 -16,-2.8 -2,-0.4 -28,-0.2 -0.959 360.0 360.0-132.6 360.0 10.0 13.2 -8.8