==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 11-APR-09 2KHT . COMPND 2 MOLECULE: NEUTROPHIL DEFENSIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHANG,S.LI,T.F.DOHERTY,J.LUBKOWSKI,W.LU,J.LI,C.BARINKA, . 30 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2749.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 46.7 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 . 2 6.7 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 . 1 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 . 8 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 131 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.6 -2.0 -2.0 1.3 2 2 A C - 0 0 47 1,-0.1 28,-0.1 28,-0.1 26,-0.1 -0.794 360.0-150.9-100.9 140.9 -0.4 -4.4 -1.1 3 3 A Y - 0 0 169 26,-0.8 26,-0.3 -2,-0.4 -1,-0.1 -0.125 30.7 -79.8 -92.6-168.1 -2.0 -5.6 -4.3 4 4 A C - 0 0 42 22,-0.2 2,-0.8 1,-0.1 22,-0.3 -0.122 56.9 -77.6 -85.4-174.7 -1.6 -8.9 -6.1 5 5 A R + 0 0 126 20,-3.8 20,-0.2 14,-0.1 -1,-0.1 -0.807 61.4 154.3 -94.3 112.3 1.2 -9.8 -8.6 6 6 A I - 0 0 64 -2,-0.8 2,-2.4 18,-0.1 -3,-0.0 -0.998 61.3 -88.3-136.7 139.3 0.7 -8.2 -11.9 7 7 A P S S+ 0 0 138 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.109 95.2 97.4 -46.0 72.6 3.3 -7.4 -14.6 8 8 A A S S- 0 0 55 -2,-2.4 2,-3.6 3,-0.0 3,-0.3 -0.648 91.0 -28.0-143.3-163.3 3.9 -3.9 -13.0 9 9 A C S S+ 0 0 80 1,-0.2 21,-0.5 -2,-0.2 0, 0.0 -0.263 70.5 149.7 -58.6 69.8 6.2 -2.1 -10.6 10 10 A I > + 0 0 23 -2,-3.6 3,-0.7 19,-0.1 -1,-0.2 0.709 43.8 93.8 -77.8 -21.1 7.0 -5.3 -8.8 11 11 A A T 3 + 0 0 64 -3,-0.3 2,-2.9 1,-0.2 19,-0.3 0.313 59.8 58.6 -54.0-164.9 10.5 -4.0 -8.0 12 12 A G T 3 S+ 0 0 69 17,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.306 118.7 18.8 74.8 -59.4 11.2 -2.2 -4.7 13 13 A E < - 0 0 91 -2,-2.9 2,-0.5 -3,-0.7 15,-0.1 -0.991 65.3-151.2-143.8 149.6 10.1 -5.2 -2.7 14 14 A R - 0 0 155 -2,-0.3 2,-0.3 13,-0.1 13,-0.1 -0.966 14.7-143.5-127.3 116.6 9.6 -8.9 -3.4 15 15 A R - 0 0 120 -2,-0.5 -2,-0.0 1,-0.1 13,-0.0 -0.569 4.7-161.3 -78.6 137.8 7.0 -11.0 -1.5 16 16 A Y S S+ 0 0 226 -2,-0.3 -1,-0.1 11,-0.1 11,-0.0 0.867 70.8 75.3 -84.8 -40.7 8.0 -14.5 -0.6 17 17 A G S S- 0 0 37 8,-0.0 2,-0.4 1,-0.0 9,-0.2 -0.331 72.3-145.6 -70.9 155.2 4.5 -15.8 0.0 18 18 A T - 0 0 84 7,-0.1 2,-0.6 9,-0.0 7,-0.1 -0.965 4.1-138.6-126.8 142.3 2.1 -16.5 -2.9 19 19 A C - 0 0 36 -2,-0.4 2,-1.2 2,-0.1 5,-0.2 -0.872 11.4-148.4-102.5 119.2 -1.7 -16.0 -3.1 20 20 A I + 0 0 137 -2,-0.6 2,-0.3 3,-0.1 5,-0.1 -0.717 44.0 135.2 -90.2 96.8 -3.5 -18.8 -4.9 21 21 A Y B > S-A 24 0A 167 -2,-1.2 3,-0.7 3,-0.6 -2,-0.1 -0.855 84.5 -27.7-146.9 106.1 -6.5 -17.1 -6.5 22 22 A Q T 3 S- 0 0 158 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.659 122.5 -58.4 63.6 14.3 -7.6 -17.8 -10.1 23 23 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -4,-0.0 -1,-0.2 0.822 109.3 125.9 84.2 33.7 -3.9 -18.6 -10.6 24 24 A R B < -A 21 0A 139 -3,-0.7 -3,-0.6 -5,-0.2 -1,-0.2 -0.977 43.7-156.1-131.1 121.1 -2.6 -15.2 -9.5 25 25 A L - 0 0 54 -2,-0.4 -20,-3.8 -20,-0.2 2,-0.6 -0.392 19.4-118.5 -87.4 167.1 0.0 -14.7 -6.8 26 26 A W - 0 0 72 -22,-0.3 2,-0.2 -9,-0.2 -22,-0.2 -0.911 29.1-173.4-113.7 109.9 0.5 -11.5 -4.8 27 27 A A - 0 0 7 -2,-0.6 2,-1.2 -13,-0.1 -24,-0.1 -0.597 41.8 -91.2 -95.7 159.7 3.9 -9.8 -5.1 28 28 A F + 0 0 56 -2,-0.2 -15,-0.6 -18,-0.1 2,-0.5 -0.594 58.7 166.6 -75.3 102.1 4.9 -6.8 -3.0 29 29 A C 0 0 14 -2,-1.2 -26,-0.8 -26,-0.3 -19,-0.1 -0.976 360.0 360.0-122.4 122.8 3.7 -3.9 -5.0 30 30 A C 0 0 119 -2,-0.5 -20,-0.1 -21,-0.5 -1,-0.1 -0.252 360.0 360.0-154.9 360.0 3.5 -0.3 -3.6