==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SAPOSIN FOLD 17-APR-97 1NKL . COMPND 2 MOLECULE: NK-LYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR G.OTTING,E.LIEPINSH . 78 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 73.1 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 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.6 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 0 1 0 0 0 0 0 0 1 0 1 0 0 0 1 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 1 A G 0 0 75 0, 0.0 2,-2.7 0, 0.0 76,-0.1 0.000 360.0 360.0 360.0 134.7 -16.5 -2.3 4.4 2 2 A Y >> + 0 0 153 1,-0.2 3,-2.1 4,-0.0 4,-1.1 -0.478 360.0 84.4 57.9 -60.4 -14.0 -2.2 7.3 3 3 A F H 3> S+ 0 0 96 -2,-2.7 4,-3.5 1,-0.3 5,-0.3 0.551 73.8 67.5 -29.4 -38.6 -11.4 -2.4 4.5 4 4 A a H 3> S+ 0 0 36 72,-0.4 4,-2.5 2,-0.2 -1,-0.3 0.940 106.8 40.4 -60.5 -45.1 -11.4 1.4 4.1 5 5 A E H <> S+ 0 0 66 -3,-2.1 4,-2.9 2,-0.2 5,-0.2 0.965 118.9 48.0 -58.8 -53.6 -9.8 1.8 7.5 6 6 A S H X S+ 0 0 0 -4,-1.1 4,-3.0 1,-0.2 -2,-0.2 0.919 114.1 44.7 -56.2 -53.7 -7.6 -1.1 6.9 7 7 A b H X S+ 0 0 2 -4,-3.5 4,-3.1 2,-0.2 5,-0.3 0.894 113.5 50.6 -58.7 -47.0 -6.5 0.1 3.4 8 8 A R H X S+ 0 0 139 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.938 114.3 44.1 -59.4 -49.2 -6.0 3.7 4.7 9 9 A K H X S+ 0 0 111 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.922 116.0 48.4 -59.5 -47.9 -3.8 2.4 7.6 10 10 A I H X S+ 0 0 2 -4,-3.0 4,-1.4 -5,-0.2 -2,-0.2 0.957 116.1 41.6 -56.5 -59.9 -1.9 -0.0 5.3 11 11 A I H X S+ 0 0 3 -4,-3.1 4,-3.0 1,-0.2 3,-0.4 0.909 112.8 53.7 -58.6 -47.8 -1.2 2.6 2.5 12 12 A Q H X S+ 0 0 64 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.899 108.9 47.8 -61.2 -40.9 -0.3 5.4 5.0 13 13 A K H X S+ 0 0 59 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.3 0.826 114.8 48.3 -64.7 -30.8 2.3 3.2 6.8 14 14 A L H X S+ 0 0 0 -4,-1.4 4,-3.2 -3,-0.4 5,-0.3 0.931 112.0 47.6 -69.7 -50.9 3.7 2.3 3.3 15 15 A E H X S+ 0 0 39 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.932 114.2 47.5 -54.8 -53.3 3.7 6.0 2.2 16 16 A D H < S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.890 116.1 45.9 -55.9 -45.2 5.5 7.0 5.4 17 17 A M H < S+ 0 0 60 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.929 115.4 41.1 -65.7 -59.2 8.0 4.1 5.0 18 18 A V H < S- 0 0 24 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 98.9-160.3 -62.0 -31.6 8.9 4.4 1.4 19 19 A G < - 0 0 29 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.391 37.2 -14.9 79.5-164.7 9.0 8.3 1.8 20 20 A P S S+ 0 0 103 0, 0.0 41,-0.0 0, 0.0 -4,-0.0 -0.280 120.3 0.5 -71.9 164.9 8.8 10.8 -1.1 21 21 A Q S S+ 0 0 179 39,-0.1 40,-0.1 1,-0.1 41,-0.0 0.712 82.8 177.0 20.1 66.3 9.3 10.1 -4.9 22 22 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.090 20.4-123.7 -78.5-173.1 9.9 6.3 -4.6 23 23 A N > - 0 0 85 1,-0.0 4,-2.6 0, 0.0 5,-0.3 -0.921 29.9 -93.9-138.3 155.9 10.4 3.8 -7.5 24 24 A E H > S+ 0 0 75 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.716 121.1 42.5 -41.2 -41.7 8.8 0.5 -8.6 25 25 A D H > S+ 0 0 87 2,-0.2 4,-2.9 3,-0.2 5,-0.3 0.986 113.9 48.6 -72.7 -56.7 11.2 -1.8 -6.8 26 26 A T H > S+ 0 0 52 1,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.856 114.4 47.7 -56.6 -37.2 11.4 0.1 -3.5 27 27 A V H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.939 111.8 50.7 -66.5 -46.1 7.6 0.4 -3.4 28 28 A T H X S+ 0 0 47 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.943 119.1 36.0 -55.5 -51.7 7.3 -3.4 -4.2 29 29 A Q H X S+ 0 0 106 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.966 118.0 50.4 -69.0 -49.3 9.7 -4.4 -1.4 30 30 A A H X S+ 0 0 15 -4,-2.8 4,-0.6 -5,-0.3 -2,-0.2 0.815 117.4 41.8 -60.5 -33.2 8.6 -1.6 1.1 31 31 A A H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 5,-0.3 0.896 110.7 51.7 -80.8 -49.0 4.9 -2.7 0.5 32 32 A S H X S+ 0 0 36 -4,-2.6 4,-1.0 -5,-0.3 -2,-0.2 0.901 122.8 36.5 -56.8 -30.6 5.3 -6.5 0.6 33 33 A Q H X S+ 0 0 87 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.640 103.4 70.2 -92.2 -18.2 7.1 -5.8 3.8 34 34 A V H X S+ 0 0 0 -4,-0.6 4,-2.0 -5,-0.2 -2,-0.2 0.958 109.2 40.0 -58.2 -44.4 4.8 -2.9 4.9 35 35 A c H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.886 112.2 53.5 -68.4 -49.9 2.3 -5.7 5.4 36 36 A D H < S+ 0 0 42 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.935 115.4 42.0 -51.8 -45.6 4.8 -8.2 6.9 37 37 A K H < S+ 0 0 142 -4,-2.8 2,-1.3 1,-0.1 -2,-0.2 0.797 95.2 83.4 -73.4 -38.2 5.8 -5.5 9.5 38 38 A L S < S- 0 0 32 -4,-2.0 4,-0.2 -5,-0.2 7,-0.2 -0.581 77.6-155.0 -73.3 96.2 2.1 -4.3 10.2 39 39 A K + 0 0 176 -2,-1.3 2,-2.1 2,-0.2 -2,-0.1 -0.282 69.3 18.5 -77.9 162.7 1.2 -7.1 12.7 40 40 A I S > S+ 0 0 169 1,-0.2 3,-0.6 4,-0.0 4,-0.2 -0.565 129.0 51.2 75.2 -64.9 -2.4 -8.1 13.3 41 41 A L T 3> S+ 0 0 23 -2,-2.1 4,-2.2 1,-0.2 5,-0.2 0.342 81.1 107.8 -83.5 12.7 -3.4 -6.6 9.9 42 42 A R H 3> S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.902 76.0 47.8 -58.5 -52.5 -0.5 -8.5 8.2 43 43 A G H <> S+ 0 0 51 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.865 110.9 50.9 -60.6 -40.0 -2.8 -11.0 6.4 44 44 A L H > S+ 0 0 47 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.977 115.2 42.5 -65.4 -54.5 -5.1 -8.3 5.0 45 45 A c H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.935 112.4 51.8 -53.4 -56.9 -2.3 -6.3 3.6 46 46 A K H X S+ 0 0 70 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.887 112.2 48.8 -55.8 -38.9 -0.3 -9.3 2.2 47 47 A K H X S+ 0 0 160 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.933 111.3 48.3 -63.9 -47.9 -3.5 -10.4 0.4 48 48 A I H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.961 113.6 48.0 -54.5 -53.2 -4.2 -6.8 -1.0 49 49 A M H X S+ 0 0 4 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.908 112.4 48.2 -58.9 -43.7 -0.5 -6.7 -2.2 50 50 A R H < S+ 0 0 207 -4,-2.6 3,-0.3 -5,-0.3 -1,-0.2 0.895 118.3 41.5 -59.8 -42.6 -0.7 -10.2 -3.8 51 51 A S H < S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.710 134.9 16.2 -79.0 -24.0 -4.0 -9.2 -5.5 52 52 A F H X S+ 0 0 71 -4,-2.3 4,-2.9 -5,-0.2 3,-0.4 -0.066 77.6 141.6-144.1 39.8 -3.1 -5.6 -6.6 53 53 A L H X S+ 0 0 51 -4,-0.9 4,-2.0 -3,-0.3 -3,-0.1 0.924 77.4 38.0 -58.1 -61.8 0.8 -5.4 -6.3 54 54 A R H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.738 115.5 57.2 -69.4 -17.4 1.7 -3.3 -9.4 55 55 A R H > S+ 0 0 118 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.969 105.3 49.0 -70.5 -53.1 -1.5 -1.2 -8.8 56 56 A I H X S+ 0 0 1 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.860 110.4 54.0 -57.9 -26.3 -0.3 -0.3 -5.2 57 57 A S H X S+ 0 0 1 -4,-2.0 4,-3.2 -5,-0.2 5,-0.2 0.993 110.1 44.0 -68.1 -56.6 3.0 0.6 -6.8 58 58 A W H X S+ 0 0 60 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.887 112.2 55.6 -49.0 -48.6 1.3 3.0 -9.3 59 59 A D H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 -1,-0.2 0.930 114.7 36.3 -51.1 -58.7 -0.8 4.4 -6.4 60 60 A I H ><5S+ 0 0 12 -4,-2.1 3,-2.1 3,-0.2 -2,-0.2 0.894 114.5 56.9 -61.6 -43.9 2.3 5.3 -4.3 61 61 A L H 3<5S+ 0 0 61 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.840 109.6 45.6 -60.4 -35.4 4.3 6.4 -7.4 62 62 A T T 3<5S- 0 0 87 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.264 110.8-128.7 -85.3 8.5 1.6 8.9 -8.3 63 63 A G T < 5 + 0 0 39 -3,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.791 45.4 174.3 40.4 48.5 1.6 9.9 -4.5 64 64 A K < - 0 0 49 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.0 -0.441 33.4-106.2 -87.9 143.4 -2.2 9.4 -4.6 65 65 A K > - 0 0 110 -2,-0.1 4,-2.5 1,-0.1 3,-0.2 -0.377 23.4-116.5 -71.4 158.2 -4.0 9.8 -1.2 66 66 A P H > S+ 0 0 12 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.873 112.2 53.0 -63.1 -49.3 -5.3 6.7 0.7 67 67 A Q H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.912 114.9 43.9 -52.1 -40.9 -9.0 7.6 0.6 68 68 A A H > S+ 0 0 34 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.890 113.7 49.8 -78.3 -37.6 -8.7 8.0 -3.2 69 69 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.949 112.7 46.4 -60.7 -54.0 -6.6 4.8 -3.6 70 70 A b H <>S+ 0 0 0 -4,-2.9 5,-3.2 2,-0.2 6,-1.9 0.779 116.9 44.2 -60.9 -38.2 -9.1 2.6 -1.6 71 71 A V H ><5S+ 0 0 40 -4,-1.7 3,-1.7 -5,-0.3 -2,-0.2 0.972 113.9 52.2 -67.0 -51.5 -12.1 4.1 -3.5 72 72 A D H 3<5S+ 0 0 63 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.859 115.2 36.7 -51.7 -57.8 -10.3 3.8 -6.9 73 73 A I T 3<5S- 0 0 18 -4,-2.5 -1,-0.3 -5,-0.1 -3,-0.1 0.423 120.6-111.6 -82.0 2.5 -9.3 0.1 -6.7 74 74 A K T < 5S+ 0 0 136 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.978 81.4 117.8 65.9 73.4 -12.6 -0.6 -4.9 75 75 A I < + 0 0 13 -5,-3.2 -4,-0.2 -6,-0.1 -71,-0.1 0.479 66.3 56.0-131.0 -19.7 -11.8 -1.5 -1.3 76 76 A a S S- 0 0 19 -6,-1.9 -72,-0.4 -73,-0.1 -5,-0.1 0.938 108.5 -82.0 -83.2 -94.1 -13.5 1.4 0.7 77 77 A K 0 0 147 -74,-0.1 -6,-0.1 -73,-0.1 -7,-0.0 -0.395 360.0 360.0 172.7 80.6 -17.2 2.1 0.2 78 78 A E 0 0 124 -7,-0.2 -7,-0.1 -2,-0.1 -6,-0.1 0.995 360.0 360.0 -52.3 360.0 -17.3 4.2 -2.9