==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 05-MAR-08 2K1I . COMPND 2 MOLECULE: MUCOSAL ALPHA-DEFENSIN; . SOURCE 2 SYNTHETIC: YES . AUTHOR S.V.VASUDEVAN,J.YUAN,G.OSAPAY,P TRAN,K.TAI,M.SELSTED,M.J.COC . 32 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3139.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 68.8 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 . 14 43.8 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 3.1 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 . 8 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), 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+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 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 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 R 0 0 272 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 74.9 14.0 2.4 6.2 2 2 A R - 0 0 170 1,-0.1 2,-1.0 29,-0.0 0, 0.0 -0.372 360.0 -84.4 -73.4 153.4 17.4 1.5 7.6 3 3 A T S S+ 0 0 135 29,-0.2 29,-0.8 -2,-0.1 2,-0.3 -0.416 72.3 153.7 -61.2 98.9 20.5 3.5 6.5 4 4 A a E +A 31 0A 54 -2,-1.0 2,-0.3 27,-0.2 27,-0.2 -0.887 19.2 176.8-129.2 159.9 21.3 1.7 3.3 5 5 A H E -A 30 0A 108 25,-2.5 25,-1.9 -2,-0.3 2,-0.5 -0.951 26.8-116.3-153.7 169.3 23.1 2.6 0.1 6 6 A b E +A 29 0A 20 -2,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.961 42.2 147.1-118.8 127.2 24.2 1.2 -3.3 7 7 A R E -A 28 0A 83 21,-2.0 21,-1.8 -2,-0.5 3,-0.1 -0.992 52.6-122.8-158.0 150.4 27.9 0.9 -4.3 8 8 A S S S+ 0 0 70 -2,-0.3 2,-0.5 19,-0.2 -1,-0.1 0.880 105.1 39.1 -60.1 -41.1 30.4 -1.2 -6.2 9 9 A R S S- 0 0 199 -3,-0.1 2,-0.5 19,-0.1 -1,-0.2 -0.956 72.5-165.3-118.7 120.6 32.6 -1.7 -3.1 10 10 A c - 0 0 44 -2,-0.5 6,-0.1 -3,-0.1 19,-0.0 -0.903 10.0-149.5-107.7 125.7 31.1 -2.2 0.3 11 11 A L - 0 0 86 -2,-0.5 3,-0.4 4,-0.1 -1,-0.0 -0.097 38.2 -88.1 -79.8-177.3 33.3 -1.8 3.4 12 12 A R S S+ 0 0 233 1,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.863 126.4 59.0 -62.1 -37.3 32.9 -3.6 6.7 13 13 A R S S+ 0 0 143 1,-0.2 2,-0.8 19,-0.1 -1,-0.2 0.859 104.7 54.6 -61.2 -35.7 30.5 -0.9 8.0 14 14 A E S S- 0 0 42 -3,-0.4 18,-0.2 18,-0.1 -1,-0.2 -0.857 79.4-160.7-105.6 104.1 28.2 -1.6 5.1 15 15 A S E -B 31 0A 59 16,-2.2 16,-2.7 -2,-0.8 2,-0.4 -0.495 32.0 -95.8 -80.4 151.3 27.2 -5.3 4.9 16 16 A N E +B 30 0A 126 14,-0.3 14,-0.3 1,-0.2 -1,-0.1 -0.539 49.4 162.0 -71.1 120.5 25.8 -6.7 1.7 17 17 A S E - 0 0 77 12,-2.4 2,-0.3 -2,-0.4 13,-0.2 0.607 62.8 -44.0-110.7 -22.1 22.0 -6.7 1.8 18 18 A G E -B 29 0A 35 11,-1.7 11,-1.1 2,-0.0 2,-0.3 -0.938 63.3 -78.7-178.9-160.7 21.2 -7.1 -1.9 19 19 A S E -B 28 0A 91 9,-0.3 2,-0.3 -2,-0.3 9,-0.3 -0.974 30.1-176.2-133.2 147.0 22.1 -5.9 -5.5 20 20 A b E -B 27 0A 25 7,-3.7 7,-2.8 -2,-0.3 2,-0.6 -0.974 19.1-137.5-139.7 151.7 21.3 -2.9 -7.6 21 21 A N E +B 26 0A 131 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.928 28.2 166.4-116.6 111.1 22.0 -1.8 -11.2 22 22 A I E > S-B 25 0A 69 3,-1.7 3,-1.2 -2,-0.6 -2,-0.1 -0.986 70.1 -8.1-126.8 130.0 23.1 1.9 -11.7 23 23 A N T 3 S- 0 0 149 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.837 121.9 -67.1 56.9 34.6 24.6 3.2 -14.9 24 24 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.112 112.8 119.2 75.6 -25.6 24.9 -0.3 -16.3 25 25 A R E < S- B 0 22A 172 -3,-1.2 -3,-1.7 1,-0.1 2,-0.8 -0.450 74.8-112.2 -72.9 145.1 27.5 -0.9 -13.5 26 26 A I E - B 0 21A 125 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.696 39.1-169.9 -82.9 110.2 26.6 -3.7 -11.0 27 27 A F E - B 0 20A 42 -7,-2.8 -7,-3.7 -2,-0.8 2,-0.5 -0.743 16.6-132.3-101.4 148.3 26.1 -1.9 -7.6 28 28 A S E -AB 7 19A 34 -21,-1.8 -21,-2.0 -2,-0.3 2,-1.4 -0.880 11.4-137.4-103.0 124.5 25.7 -3.7 -4.3 29 29 A L E +AB 6 18A 63 -11,-1.1 -12,-2.4 -2,-0.5 -11,-1.7 -0.646 36.9 176.8 -80.6 94.1 22.8 -2.7 -2.0 30 30 A c E +AB 5 16A 2 -25,-1.9 -25,-2.5 -2,-1.4 -14,-0.3 -0.811 6.2 163.6-105.1 143.6 24.7 -2.7 1.3 31 31 A a E AB 4 15A 7 -16,-2.7 -16,-2.2 -2,-0.4 -27,-0.2 -0.818 360.0 360.0-142.9-178.8 23.3 -1.7 4.7 32 32 A R 0 0 202 -29,-0.8 -29,-0.2 -2,-0.2 -18,-0.1 -0.996 360.0 360.0-131.6 360.0 24.0 -1.9 8.4