==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 05-MAY-06 2GWP . COMPND 2 MOLECULE: DEFENSIN-RELATED CRYPTDIN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.J.ROSENGREN,D.J.CRAIK,H.J.VOGEL,N.L.DALY,A.J.OUELLETTE . 32 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 56.2 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 . 13 40.6 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 . 1 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 4 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 32 0, 0.0 31,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.0 3.5 9.7 3.3 2 2 A L + 0 0 168 27,-0.1 2,-0.4 2,-0.1 30,-0.0 0.880 360.0 82.9 -67.8 -38.8 6.6 9.6 1.0 3 3 A L S S- 0 0 147 26,-0.1 2,-0.2 1,-0.0 0, 0.0 -0.534 73.3-151.7 -71.1 123.7 7.6 6.2 2.5 4 4 A a - 0 0 17 -2,-0.4 2,-0.3 25,-0.2 25,-0.3 -0.633 10.9-159.2 -95.4 154.4 5.7 3.4 0.9 5 5 A Y E -A 28 0A 72 23,-3.0 23,-2.7 -2,-0.2 2,-0.3 -0.885 19.5-107.4-133.5 165.2 4.9 0.1 2.7 6 6 A b E +A 27 0A 56 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.678 36.7 178.5 -90.0 141.7 4.0 -3.5 1.9 7 7 A R E -A 26 0A 101 19,-2.4 19,-3.4 -2,-0.3 14,-0.1 -0.973 25.8-122.3-151.2 133.3 0.4 -4.7 2.6 8 8 A K E S+A 25 0A 138 -2,-0.3 2,-1.8 17,-0.3 17,-0.3 -0.390 91.2 9.7 -72.5 148.2 -1.4 -8.0 2.1 9 9 A G S S- 0 0 40 15,-3.1 2,-0.3 -2,-0.1 -1,-0.2 -0.464 125.8 -46.5 84.8 -65.8 -4.5 -8.1 -0.1 10 10 A H S S- 0 0 120 -2,-1.8 16,-0.1 16,-0.1 18,-0.1 -0.961 74.1 -53.7 178.8 177.6 -4.1 -4.6 -1.5 11 11 A c - 0 0 20 -2,-0.3 6,-0.1 1,-0.1 16,-0.0 -0.095 66.2 -84.4 -64.0 167.4 -3.5 -1.0 -0.7 12 12 A K > - 0 0 103 1,-0.1 2,-2.6 4,-0.1 3,-1.9 -0.337 54.7 -89.6 -70.4 155.6 -5.4 1.0 1.9 13 13 A R T 3 S+ 0 0 233 1,-0.3 -1,-0.1 -3,-0.1 3,-0.0 -0.419 124.2 19.1 -69.8 76.3 -8.7 2.5 0.8 14 14 A G T 3 S+ 0 0 25 -2,-2.6 -1,-0.3 1,-0.2 -2,-0.0 0.191 99.7 114.3 146.7 -13.6 -7.1 5.8 -0.4 15 15 A D < - 0 0 20 -3,-1.9 2,-0.5 15,-0.1 -1,-0.2 0.048 66.5-107.6 -72.0-173.3 -3.5 4.8 -0.7 16 16 A R E -B 29 0A 114 13,-2.3 13,-2.9 -3,-0.0 2,-0.2 -0.984 26.7-132.9-124.5 122.1 -1.4 4.8 -3.9 17 17 A V E +B 28 0A 96 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.514 25.9 172.5 -76.8 139.8 -0.4 1.5 -5.5 18 18 A R E - 0 0 172 9,-3.4 2,-0.3 1,-0.4 10,-0.2 0.722 55.5 -82.0-109.7 -43.8 3.2 1.0 -6.6 19 19 A G E -B 27 0A 31 8,-2.1 8,-2.8 0, 0.0 -1,-0.4 -0.951 66.4 -26.0 170.8-150.6 3.2 -2.6 -7.5 20 20 A T E -B 26 0A 126 6,-0.3 6,-0.3 -2,-0.3 3,-0.1 -0.647 35.2-177.8 -94.3 150.8 3.5 -6.1 -6.0 21 21 A b E - 0 0 62 4,-3.2 2,-0.2 1,-0.4 5,-0.2 0.747 58.4 -57.5-111.4 -48.1 5.3 -6.9 -2.8 22 22 A G E > S-B 25 0A 44 3,-1.7 3,-2.1 0, 0.0 2,-0.8 -0.865 93.0 -8.6-170.0-157.2 5.0 -10.7 -2.4 23 23 A I T 3 S- 0 0 159 1,-0.3 3,-0.1 -2,-0.2 -15,-0.0 -0.440 136.7 -18.5 -62.7 103.3 2.6 -13.6 -2.2 24 24 A R T 3 S+ 0 0 191 -2,-0.8 -15,-3.1 1,-0.2 2,-0.4 0.726 117.0 116.6 67.3 27.4 -0.7 -11.8 -2.0 25 25 A F E < -AB 8 22A 79 -3,-2.1 -4,-3.2 -17,-0.3 -3,-1.7 -0.976 47.4-159.7-126.6 138.9 1.1 -8.6 -0.9 26 26 A L E -AB 7 20A 45 -19,-3.4 -19,-2.4 -2,-0.4 2,-0.6 -0.873 17.6-127.2-117.7 151.0 1.1 -5.3 -2.7 27 27 A Y E +AB 6 19A 96 -8,-2.8 -9,-3.4 -2,-0.3 -8,-2.1 -0.863 44.2 153.8 -98.4 119.2 3.5 -2.4 -2.5 28 28 A c E -AB 5 17A 0 -23,-2.7 -23,-3.0 -2,-0.6 -11,-0.2 -0.921 38.4-124.3-141.7 166.5 1.7 0.9 -1.9 29 29 A a E - B 0 16A 3 -13,-2.9 -13,-2.3 -2,-0.3 -25,-0.2 -0.958 34.4-108.5-118.7 131.9 2.2 4.4 -0.3 30 30 A P - 0 0 22 0, 0.0 -15,-0.1 0, 0.0 -19,-0.0 -0.250 18.1-134.4 -58.8 138.7 -0.1 5.8 2.4 31 31 A R 0 0 154 0, 0.0 -16,-0.1 0, 0.0 -17,-0.0 0.969 360.0 360.0 -57.0 -58.4 -2.4 8.7 1.4 32 32 A R 0 0 233 -30,-0.0 -18,-0.0 -31,-0.0 -17,-0.0 -0.550 360.0 360.0 -78.0 360.0 -1.6 10.8 4.4