==== 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 DEFENSIN 30-APR-01 1IJV . COMPND 2 MOLECULE: BETA-DEFENSIN 1; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.M.HOOVER,J.LUBKOWSKI . 72 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 56.9 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 . 19 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.8 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 . 0 0.0 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 . 5 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 5.6 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 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 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D > 0 0 109 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 174.6 11.4 4.9 15.2 2 2 A H H > + 0 0 91 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.901 360.0 52.4 -57.0 -43.8 12.1 3.6 18.7 3 3 A Y H > S+ 0 0 164 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.948 114.9 39.4 -59.2 -52.4 15.0 1.4 17.6 4 4 A N H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 6,-0.2 0.903 115.1 55.5 -66.7 -36.6 16.9 4.2 15.7 5 5 A a H <>S+ 0 0 4 -4,-2.9 5,-2.8 21,-0.2 4,-0.4 0.979 114.7 35.8 -56.1 -58.5 16.0 6.6 18.5 6 6 A V H ><5S+ 0 0 75 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.915 114.8 57.9 -65.6 -39.2 17.5 4.6 21.3 7 7 A S H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.889 108.6 44.8 -55.2 -44.0 20.3 3.3 19.1 8 8 A S T 3<5S- 0 0 83 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.392 128.7 -92.1 -88.7 2.5 21.6 6.7 18.3 9 9 A G T < 5S+ 0 0 55 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.1 0.667 82.4 123.0 102.3 16.4 21.3 8.0 21.9 10 10 A G < - 0 0 14 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.424 51.4-127.0 -97.7-179.0 17.9 9.5 22.2 11 11 A Q E -A 35 0A 113 24,-1.8 24,-3.1 -2,-0.1 2,-0.5 -0.983 16.4-129.7-127.8 136.0 14.8 9.0 24.3 12 12 A b E +A 34 0A 17 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.789 36.8 166.5 -87.3 127.0 11.2 8.4 23.1 13 13 A L E -A 33 0A 39 20,-2.4 20,-3.2 -2,-0.5 14,-0.1 -1.000 35.7-159.2-142.5 137.1 8.7 10.8 24.8 14 14 A Y S S+ 0 0 150 -2,-0.3 3,-0.1 18,-0.2 -1,-0.1 0.775 82.5 67.1 -81.1 -27.8 5.1 11.7 24.1 15 15 A S S S- 0 0 75 1,-0.2 18,-0.2 18,-0.1 -2,-0.1 -0.072 108.4 -61.6 -81.1-173.0 5.5 14.9 26.1 16 16 A A - 0 0 76 1,-0.1 -1,-0.2 7,-0.0 -2,-0.1 -0.357 63.7 -95.1 -65.8 149.9 7.6 17.9 25.1 17 17 A c - 0 0 31 1,-0.1 3,-0.1 -3,-0.1 4,-0.1 -0.463 50.2-109.4 -62.6 135.4 11.3 17.2 24.8 18 18 A P > - 0 0 57 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.165 46.8 -69.4 -68.5 162.0 13.0 18.2 28.1 19 19 A I T 3 S+ 0 0 133 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.178 123.0 26.3 -49.8 136.9 15.2 21.3 28.6 20 20 A F T 3 S+ 0 0 186 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.582 112.2 80.9 76.1 16.9 18.6 20.8 26.8 21 21 A T < - 0 0 48 -3,-1.6 -1,-0.3 -4,-0.1 2,-0.3 -0.923 55.0-169.9-134.8 165.4 17.1 18.4 24.2 22 22 A K - 0 0 118 -2,-0.3 14,-2.1 -3,-0.1 2,-0.3 -0.952 40.5 -73.1-148.5 168.7 15.1 18.8 21.0 23 23 A I E +B 35 0A 44 -2,-0.3 12,-0.2 12,-0.2 44,-0.2 -0.475 49.3 158.4 -71.0 126.6 13.2 16.6 18.6 24 24 A Q E - 0 0 57 10,-3.4 2,-0.3 -2,-0.3 11,-0.2 0.097 66.2 -16.4-135.3 16.9 15.5 14.5 16.4 25 25 A G E -B 34 0A 6 9,-0.6 9,-2.4 41,-0.2 2,-0.3 -0.966 68.7 -99.6 170.5-168.1 13.2 11.7 15.4 26 26 A T E -B 33 0A 27 7,-0.3 2,-0.3 -2,-0.3 7,-0.3 -0.928 24.7-169.7-139.0 159.4 9.9 10.0 16.2 27 27 A b E > +B 32 0A 0 5,-2.0 5,-2.8 -2,-0.3 4,-0.3 -0.940 56.3 37.3-141.0 160.6 8.8 6.8 18.0 28 28 A Y T > 5S- 0 0 92 -2,-0.3 3,-1.8 1,-0.2 -1,-0.2 0.956 131.1 -41.9 64.7 62.3 5.7 4.7 18.5 29 29 A R T 3 5S- 0 0 245 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.845 112.4 -58.3 51.1 41.6 4.1 4.9 15.2 30 30 A G T 3 5S+ 0 0 41 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.501 117.6 107.5 81.2 -3.4 4.9 8.5 14.9 31 31 A K T < 5S+ 0 0 166 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.650 73.5 50.4 -89.1 -13.5 3.0 9.5 18.1 32 32 A A E 0 0 73 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 177.3 18.7 18.0 11.1 39 2 B H H > + 0 0 91 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.899 360.0 50.0 -57.9 -43.3 18.3 19.3 7.6 40 3 B Y H > S+ 0 0 168 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 114.5 41.7 -63.3 -49.5 21.4 21.5 7.8 41 4 B N H > S+ 0 0 100 2,-0.2 4,-1.3 1,-0.2 6,-0.2 0.893 113.6 56.3 -64.8 -36.6 23.7 18.7 9.1 42 5 B d H ><>S+ 0 0 4 -4,-2.9 5,-2.7 21,-0.2 3,-0.7 0.974 113.4 36.8 -59.7 -58.6 22.2 16.3 6.6 43 6 B V H ><5S+ 0 0 80 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.885 113.7 56.0 -67.3 -35.7 22.8 18.3 3.5 44 7 B S H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.757 107.3 51.7 -70.7 -16.0 26.2 19.6 4.7 45 8 B S T <<5S- 0 0 55 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.492 127.9 -99.2 -87.7 -8.2 27.3 16.0 5.2 46 9 B G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.507 81.6 127.2 96.5 7.4 26.2 15.1 1.6 47 10 B G < - 0 0 10 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.346 52.0-128.5 -92.9 179.8 22.9 13.5 2.4 48 11 B Q E -C 72 0B 105 24,-2.4 24,-3.0 -2,-0.1 2,-0.6 -0.977 15.8-130.2-124.7 140.6 19.2 13.9 1.4 49 12 B e E +C 71 0B 21 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.845 39.3 169.1 -90.4 113.7 16.2 14.5 3.6 50 13 B L E -C 70 0B 41 20,-2.7 20,-3.0 -2,-0.6 14,-0.1 -0.987 37.9-149.1-132.7 137.2 13.6 11.9 2.5 51 14 B Y S S+ 0 0 153 -2,-0.4 3,-0.1 18,-0.3 -1,-0.1 0.770 81.1 65.9 -81.7 -15.5 10.3 10.9 4.1 52 15 B S S S- 0 0 72 1,-0.2 18,-0.2 18,-0.1 -2,-0.2 -0.124 104.2 -64.5 -83.1 178.2 10.6 7.3 2.7 53 16 B A S S- 0 0 74 1,-0.1 -1,-0.2 -2,-0.0 -2,-0.1 -0.371 72.2 -89.4 -61.8 148.5 12.9 4.4 3.3 54 17 B f - 0 0 35 -3,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.359 46.4-111.0 -65.0 137.3 16.4 5.3 2.1 55 18 B P > - 0 0 57 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.178 46.5 -72.4 -64.2 161.3 17.2 4.6 -1.5 56 19 B I T 3 S+ 0 0 117 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.188 121.3 24.7 -52.8 143.2 19.6 2.0 -2.6 57 20 B F T 3 S+ 0 0 190 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.334 109.7 91.3 75.6 -2.4 23.2 2.9 -2.0 58 21 B T < - 0 0 39 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.3 -0.827 56.1-161.8-118.7 162.6 22.3 5.2 0.8 59 22 B K - 0 0 130 -2,-0.3 14,-2.9 -3,-0.1 2,-0.2 -0.979 29.1 -97.2-140.6 149.4 21.8 4.7 4.5 60 23 B I E +D 72 0B 46 -2,-0.3 12,-0.2 12,-0.2 3,-0.1 -0.441 40.7 162.2 -68.9 137.1 20.1 6.5 7.4 61 24 B Q E - 0 0 104 10,-2.8 2,-0.3 1,-0.4 11,-0.1 -0.033 65.3 -41.6-149.2 36.1 22.4 8.8 9.4 62 25 B G E - 0 0 35 9,-0.3 9,-2.6 2,-0.0 -1,-0.4 -0.897 68.5 -85.3 141.9-155.0 19.9 11.0 11.2 63 26 B T E -D 70 0B 26 -2,-0.3 2,-0.3 7,-0.3 7,-0.3 -0.834 22.3-151.4-139.1 169.9 16.7 12.9 10.5 64 27 B e E > +D 69 0B 1 5,-2.1 5,-2.8 -2,-0.3 4,-0.3 -0.955 64.4 36.3-138.1 163.3 15.3 16.1 9.1 65 28 B Y T > 5S- 0 0 100 -2,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.968 132.5 -40.3 61.4 62.9 12.3 18.3 9.5 66 29 B R T 3 5S- 0 0 201 1,-0.3 -1,-0.2 -43,-0.1 -41,-0.2 0.894 114.2 -57.3 55.1 41.1 11.6 18.0 13.2 67 30 B G T 3 5S+ 0 0 8 -44,-0.2 -1,-0.3 -43,-0.2 -41,-0.2 0.401 115.7 107.5 81.8 -0.2 12.4 14.3 13.1 68 31 B K T < 5S+ 0 0 124 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.684 70.8 51.7 -91.0 -19.5 9.9 13.3 10.5 69 32 B A E