==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 25-JUL-11 3T46 . COMPND 2 MOLECULE: SCIN-D; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR B.L.GARCIA,B.V.GEISBRECHT,B.J.SUMMERS . 75 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 74.7 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 . 0 0.0 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 . 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 . 3 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 1 0 0 0 0 0 0 2 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 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 12 A H > 0 0 157 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 36.6 7.7 -13.9 0.2 2 13 A Q H > + 0 0 123 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.861 360.0 60.7 -62.7 -34.7 11.1 -13.1 1.6 3 14 A A H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 104.1 48.9 -60.6 -40.7 11.0 -9.6 0.0 4 15 A L H > S+ 0 0 16 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.886 110.6 50.8 -65.5 -40.6 7.9 -8.8 2.1 5 16 A V H X S+ 0 0 20 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.921 111.1 48.2 -61.6 -47.1 9.6 -10.0 5.3 6 17 A D H X S+ 0 0 91 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.898 110.7 52.0 -58.0 -42.6 12.6 -7.8 4.5 7 18 A Q H X S+ 0 0 82 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.902 110.6 47.9 -61.6 -42.1 10.3 -4.8 3.8 8 19 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.918 109.5 52.2 -66.8 -42.4 8.6 -5.3 7.2 9 20 A H H X S+ 0 0 95 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.930 110.1 49.3 -60.2 -42.2 11.8 -5.6 9.0 10 21 A E H X S+ 0 0 129 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.913 112.0 48.2 -61.8 -43.1 13.0 -2.3 7.5 11 22 A L H < S+ 0 0 17 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.872 109.6 51.8 -66.9 -39.7 9.7 -0.6 8.4 12 23 A I H >< S+ 0 0 27 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.945 112.2 47.1 -60.6 -47.8 9.8 -1.9 12.0 13 24 A A H >< S+ 0 0 63 -4,-2.4 3,-1.0 1,-0.3 -2,-0.2 0.853 110.0 53.0 -60.2 -36.9 13.4 -0.5 12.3 14 25 A N T 3< S+ 0 0 65 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.441 109.5 49.5 -82.8 1.6 12.4 2.8 10.7 15 26 A T T < S+ 0 0 0 -3,-1.3 2,-0.6 -4,-0.3 -1,-0.3 -0.142 74.0 148.9-127.7 37.4 9.6 3.2 13.2 16 27 A D X - 0 0 48 -3,-1.0 3,-2.2 1,-0.2 4,-0.4 -0.628 42.8-147.0 -74.1 115.7 11.7 2.5 16.3 17 28 A L G > S+ 0 0 39 -2,-0.6 3,-1.1 1,-0.3 4,-0.2 0.796 94.1 66.4 -57.7 -28.5 10.1 4.6 19.1 18 29 A N G 3 S+ 0 0 141 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.668 106.5 39.9 -65.8 -19.0 13.5 5.0 20.7 19 30 A K G < S+ 0 0 154 -3,-2.2 -1,-0.2 1,-0.1 3,-0.2 0.302 101.9 73.4-112.8 8.0 14.7 7.1 17.8 20 31 A L X + 0 0 13 -3,-1.1 3,-2.2 -4,-0.4 4,-0.4 0.287 54.0 110.5-108.5 10.8 11.5 9.1 17.1 21 32 A S G > S+ 0 0 97 1,-0.3 3,-1.9 -4,-0.2 -1,-0.2 0.890 73.3 64.5 -49.5 -43.2 11.5 11.6 20.1 22 33 A Y G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.664 93.3 62.3 -60.5 -15.3 12.2 14.4 17.7 23 34 A L G < S- 0 0 21 -3,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.617 95.1-135.9 -89.6 -11.3 8.9 13.9 16.0 24 35 A N < - 0 0 103 -3,-1.9 2,-0.2 -4,-0.4 -3,-0.1 0.950 31.6-176.1 58.0 53.8 6.6 14.7 19.0 25 36 A L - 0 0 11 -5,-0.4 -1,-0.2 -4,-0.1 2,-0.1 -0.579 19.5-126.6 -80.5 143.8 4.2 11.8 18.4 26 37 A D > - 0 0 88 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.326 29.8 -95.7 -85.6 173.6 1.2 11.5 20.7 27 38 A A H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 123.3 54.5 -57.9 -39.6 0.2 8.5 22.8 28 39 A F H > S+ 0 0 136 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 109.2 47.3 -62.5 -43.6 -2.3 7.3 20.2 29 40 A Q H > S+ 0 0 50 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 112.5 49.4 -63.1 -40.8 0.4 7.3 17.4 30 41 A K H X S+ 0 0 79 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.902 110.6 49.9 -70.0 -39.7 2.9 5.5 19.6 31 42 A R H X S+ 0 0 178 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.911 108.9 52.9 -63.1 -40.7 0.3 2.9 20.5 32 43 A D H X S+ 0 0 40 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.914 111.2 47.6 -57.1 -42.6 -0.5 2.5 16.8 33 44 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.913 111.3 48.1 -66.2 -44.3 3.2 2.0 16.2 34 45 A L H X S+ 0 0 96 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.903 114.0 48.0 -64.7 -39.9 3.6 -0.6 19.0 35 46 A A H X S+ 0 0 47 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.918 110.5 51.9 -64.3 -44.5 0.6 -2.5 17.8 36 47 A A H X S+ 0 0 5 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.866 109.3 49.3 -62.5 -39.6 1.8 -2.4 14.2 37 48 A H H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.909 112.2 47.6 -64.2 -42.5 5.2 -3.9 15.2 38 49 A Y H X S+ 0 0 166 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.914 114.0 46.8 -66.4 -42.8 3.6 -6.7 17.2 39 50 A I H X S+ 0 0 53 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.923 113.4 49.0 -64.1 -46.1 1.2 -7.5 14.4 40 51 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.938 113.5 45.9 -59.7 -48.5 4.0 -7.4 11.8 41 52 A K H X S+ 0 0 115 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.881 114.2 48.0 -61.8 -39.8 6.2 -9.7 13.9 42 53 A S H X S+ 0 0 39 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.865 110.8 51.3 -71.8 -36.9 3.5 -12.1 14.7 43 54 A A H <>S+ 0 0 5 -4,-2.5 5,-2.1 2,-0.2 4,-0.4 0.875 111.3 47.4 -67.3 -39.0 2.4 -12.3 11.0 44 55 A I H ><5S+ 0 0 28 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.928 108.9 54.9 -63.0 -46.8 6.0 -13.0 9.9 45 56 A R H 3<5S+ 0 0 221 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.848 117.6 35.0 -58.2 -31.5 6.4 -15.7 12.6 46 57 A T T 3<5S- 0 0 99 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.378 105.1-125.8-105.8 3.4 3.3 -17.5 11.3 47 58 A K T < 5 + 0 0 177 -3,-1.1 2,-0.9 -4,-0.4 -3,-0.2 0.849 45.8 168.8 53.6 37.9 3.9 -16.7 7.6 48 59 A N >< - 0 0 72 -5,-2.1 4,-2.7 -6,-0.2 -1,-0.2 -0.713 18.3-166.0 -82.4 105.3 0.4 -15.2 7.4 49 60 A L H > S+ 0 0 67 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.905 82.6 49.9 -64.9 -44.3 0.4 -13.5 4.0 50 61 A D H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 116.1 43.6 -62.7 -41.2 -2.7 -11.4 4.3 51 62 A Q H > S+ 0 0 78 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.887 112.3 51.5 -73.1 -38.8 -1.6 -10.1 7.7 52 63 A M H X S+ 0 0 9 -4,-2.7 4,-1.8 -9,-0.2 -2,-0.2 0.913 112.6 47.6 -59.6 -43.5 2.0 -9.5 6.5 53 64 A T H X S+ 0 0 47 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.917 113.7 46.1 -64.0 -44.5 0.5 -7.6 3.6 54 65 A K H X S+ 0 0 84 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.888 111.2 53.5 -62.0 -40.1 -1.8 -5.5 5.8 55 66 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.852 107.6 50.6 -66.7 -37.2 1.0 -4.9 8.3 56 67 A K H X S+ 0 0 42 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.918 111.2 47.0 -65.4 -46.4 3.3 -3.6 5.5 57 68 A Q H X S+ 0 0 108 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.893 113.7 49.9 -62.4 -40.3 0.7 -1.1 4.2 58 69 A R H X S+ 0 0 94 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.936 113.7 43.9 -64.5 -47.9 -0.1 -0.0 7.8 59 70 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.901 112.0 52.7 -67.0 -41.7 3.6 0.6 8.6 60 71 A E H X S+ 0 0 96 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.931 111.4 47.8 -55.4 -46.0 4.3 2.3 5.3 61 72 A S H X S+ 0 0 65 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.933 112.8 48.0 -62.3 -44.5 1.4 4.6 6.0 62 73 A I H X S+ 0 0 12 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.940 111.2 50.3 -61.8 -46.5 2.6 5.3 9.6 63 74 A Y H X S+ 0 0 97 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.927 113.3 45.1 -61.1 -45.4 6.1 6.0 8.4 64 75 A N H X S+ 0 0 106 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.886 114.9 50.4 -62.8 -39.4 5.0 8.4 5.8 65 76 A S H >< S+ 0 0 55 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.966 113.3 41.5 -64.9 -54.1 2.6 10.1 8.2 66 77 A I H 3< S+ 0 0 4 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.763 111.6 57.0 -72.2 -22.6 5.0 10.6 11.1 67 78 A S H 3< S+ 0 0 46 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.581 118.7 32.7 -80.4 -11.7 7.7 11.7 8.6 68 79 A N S << S+ 0 0 115 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.1 -0.494 102.9 177.7-133.2 60.7 5.4 14.4 7.4 69 80 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.083 35.9 -97.6 -84.2 164.5 3.7 15.0 10.8 70 81 A L - 0 0 159 1,-0.1 3,-0.0 3,-0.0 -2,-0.0 -0.604 54.7 -97.3 -72.5 131.6 1.0 17.2 12.2 71 82 A H - 0 0 136 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 -0.200 37.8-115.5 -52.0 135.3 2.5 20.2 14.1 72 83 A S + 0 0 70 -3,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.675 55.5 143.5 -81.6 114.0 2.8 19.7 17.8 73 84 A Q - 0 0 107 -2,-0.7 -3,-0.0 2,-0.1 0, 0.0 -0.985 54.3-125.3-150.0 153.6 0.5 22.2 19.6 74 85 A N 0 0 159 -2,-0.3 -2,-0.1 0, 0.0 0, 0.0 0.026 360.0 360.0 -94.5 28.9 -1.7 22.1 22.7 75 86 A N 0 0 170 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.982 360.0 360.0-155.2 360.0 -4.9 23.3 21.0