==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 03-AUG-05 2AKF . COMPND 2 MOLECULE: CORONIN-1A; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.A.KAMMERER,D.KOSTREWA,P.PROGIAS,S.HONNAPPA,D.AVILA, . 96 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 85.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 83.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 2 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 1 430 A V 0 0 117 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.8 -6.2 5.5 23.7 2 431 A S > - 0 0 56 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.190 360.0-107.4 -67.6 161.5 -2.5 6.3 23.5 3 432 A R H > S+ 0 0 173 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.901 121.1 50.7 -55.9 -41.8 -0.8 7.9 20.5 4 433 A L H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 109.7 48.9 -64.3 -43.3 0.9 4.6 19.7 5 434 A E H > S+ 0 0 92 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 114.0 47.6 -60.7 -43.9 -2.4 2.6 19.9 6 435 A E H X S+ 0 0 74 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.930 110.9 49.8 -61.5 -46.6 -4.0 5.2 17.7 7 436 A D H X S+ 0 0 32 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.896 112.0 48.6 -62.1 -42.2 -1.2 5.2 15.1 8 437 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.937 112.7 45.7 -66.7 -44.3 -1.2 1.4 14.9 9 438 A R H X S+ 0 0 138 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.906 113.1 52.1 -69.3 -31.5 -5.0 1.1 14.4 10 439 A N H X S+ 0 0 66 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.934 109.0 49.5 -63.7 -48.0 -4.9 3.9 11.9 11 440 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.906 108.1 54.6 -57.8 -41.3 -2.1 2.1 9.9 12 441 A N H X S+ 0 0 44 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.946 110.0 46.2 -58.1 -44.2 -4.2 -1.1 10.0 13 442 A A H X S+ 0 0 48 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.917 113.7 48.6 -67.5 -40.4 -7.1 0.7 8.4 14 443 A I H X S+ 0 0 38 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.938 110.1 49.8 -64.5 -47.9 -5.0 2.4 5.8 15 444 A V H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.873 107.9 55.0 -65.3 -32.2 -3.2 -0.8 4.8 16 445 A Q H X S+ 0 0 112 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.938 109.7 46.6 -61.4 -44.9 -6.6 -2.6 4.4 17 446 A K H X S+ 0 0 142 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.897 111.5 51.6 -65.5 -39.3 -7.7 0.1 2.0 18 447 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.906 108.6 51.3 -61.8 -42.8 -4.4 -0.1 0.1 19 448 A Q H X S+ 0 0 62 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.924 110.9 48.3 -59.2 -44.3 -4.8 -3.8 -0.2 20 449 A E H X S+ 0 0 86 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.915 111.6 49.1 -63.6 -44.1 -8.3 -3.4 -1.6 21 450 A R H X S+ 0 0 57 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.891 112.4 49.0 -63.8 -39.3 -7.2 -0.7 -4.1 22 451 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.916 108.4 52.8 -66.3 -44.5 -4.4 -3.0 -5.2 23 452 A D H X S+ 0 0 86 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.938 112.8 46.0 -52.3 -47.1 -6.7 -5.9 -5.6 24 453 A R H X S+ 0 0 141 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.909 112.5 47.9 -65.5 -44.8 -9.0 -3.8 -7.8 25 454 A L H X S+ 0 0 12 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.896 109.0 54.1 -68.5 -38.1 -6.2 -2.3 -9.9 26 455 A E H X S+ 0 0 50 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.936 111.7 45.8 -58.1 -45.3 -4.6 -5.8 -10.5 27 456 A E H X S+ 0 0 137 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.931 111.6 52.0 -65.4 -41.2 -8.0 -7.0 -11.8 28 457 A T H X S+ 0 0 63 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.912 110.4 47.4 -61.4 -45.8 -8.5 -3.9 -13.9 29 458 A V H >< S+ 0 0 7 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.916 111.4 50.7 -62.5 -44.9 -5.1 -4.3 -15.6 30 459 A Q H 3< S+ 0 0 158 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 112.8 47.6 -62.9 -34.9 -5.7 -8.0 -16.3 31 460 A A H 3< 0 0 81 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.548 360.0 360.0 -83.4 -8.8 -9.1 -7.2 -17.9 32 461 A K << 0 0 161 -3,-0.8 -3,-0.0 -4,-0.8 -4,-0.0 -0.380 360.0 360.0 -66.7 360.0 -7.9 -4.4 -20.1 33 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 34 430 B V 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.6 11.8 7.1 21.5 35 431 B S > - 0 0 54 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.227 360.0-107.7 -74.8 166.1 11.3 3.4 21.9 36 432 B R H > S+ 0 0 182 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.903 122.7 53.2 -59.0 -38.4 11.9 0.8 19.1 37 433 B L H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.942 110.1 46.5 -64.5 -45.2 8.2 0.4 18.8 38 434 B E H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 112.2 51.2 -62.0 -41.1 7.7 4.2 18.3 39 435 B E H X S+ 0 0 97 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.930 110.3 49.4 -59.6 -46.3 10.6 4.2 15.8 40 436 B D H X S+ 0 0 29 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.898 110.6 49.8 -64.3 -38.7 9.0 1.4 13.9 41 437 B V H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.912 109.6 50.1 -66.5 -43.5 5.6 3.1 13.8 42 438 B R H X S+ 0 0 160 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.923 111.6 49.4 -61.3 -42.0 7.1 6.4 12.5 43 439 B N H X S+ 0 0 79 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.924 109.7 51.5 -63.0 -41.3 8.9 4.4 9.8 44 440 B L H X S+ 0 0 2 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.891 105.5 55.5 -60.9 -41.8 5.7 2.6 8.9 45 441 B N H X S+ 0 0 30 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.940 111.5 44.4 -55.6 -45.9 3.8 5.9 8.6 46 442 B A H X S+ 0 0 56 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.904 113.9 48.8 -67.0 -43.4 6.5 7.2 6.1 47 443 B I H X S+ 0 0 66 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.924 110.5 50.6 -61.3 -45.3 6.5 3.9 4.1 48 444 B V H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.896 107.6 54.6 -67.1 -34.1 2.7 3.8 3.9 49 445 B Q H X S+ 0 0 130 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.925 109.2 47.4 -62.0 -41.5 2.7 7.4 2.6 50 446 B K H X S+ 0 0 148 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.895 111.2 51.4 -65.9 -41.5 5.1 6.5 -0.2 51 447 B L H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.896 107.7 52.6 -62.8 -42.8 3.0 3.4 -1.1 52 448 B Q H X S+ 0 0 68 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.927 110.7 46.6 -60.1 -43.1 -0.1 5.5 -1.3 53 449 B E H X S+ 0 0 93 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.913 113.1 49.6 -65.3 -42.7 1.5 7.9 -3.7 54 450 B R H X S+ 0 0 43 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.899 112.6 47.5 -58.9 -44.5 2.9 5.1 -5.8 55 451 B L H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.912 110.5 51.9 -63.9 -43.8 -0.5 3.4 -6.0 56 452 B D H X S+ 0 0 52 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.943 110.2 48.7 -61.2 -43.0 -2.2 6.7 -6.9 57 453 B R H X S+ 0 0 157 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.908 111.9 48.5 -62.3 -41.4 0.2 7.3 -9.7 58 454 B L H X S+ 0 0 9 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.901 108.3 53.9 -68.5 -40.8 -0.2 3.8 -11.0 59 455 B E H X S+ 0 0 44 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.922 113.8 43.3 -57.6 -42.7 -4.0 4.0 -10.9 60 456 B E H X>S+ 0 0 103 -4,-2.1 4,-2.0 -5,-0.2 5,-0.6 0.866 109.8 55.6 -72.9 -33.8 -3.7 7.2 -12.9 61 457 B T H <5S+ 0 0 83 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.920 111.1 46.4 -59.5 -40.1 -1.1 5.5 -15.3 62 458 B V H <5S+ 0 0 17 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 106.7 55.9 -72.7 -36.0 -3.7 2.7 -15.9 63 459 B Q H <5S- 0 0 118 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.893 89.4-166.6 -59.4 -39.0 -6.4 5.3 -16.5 64 460 B A T <5 0 0 75 -4,-2.0 -3,-0.1 1,-0.1 -2,-0.1 0.924 360.0 360.0 54.3 50.8 -4.1 6.7 -19.1 65 461 B K < 0 0 236 -5,-0.6 -1,-0.1 0, 0.0 -4,-0.1 0.739 360.0 360.0 -68.4 360.0 -6.0 10.0 -19.5 66 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 67 430 C V 0 0 122 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.9 6.3 -9.5 22.3 68 431 C S > - 0 0 57 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.333 360.0-103.6 -77.8 168.1 3.2 -7.5 23.3 69 432 C R H > S+ 0 0 185 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.921 124.3 50.9 -55.2 -44.7 0.1 -7.3 21.2 70 433 C L H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 110.2 48.9 -63.3 -41.6 1.0 -3.8 20.0 71 434 C E H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 111.1 50.6 -63.2 -38.5 4.5 -5.1 19.0 72 435 C E H X S+ 0 0 80 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.913 107.3 53.2 -66.0 -41.3 2.9 -8.0 17.2 73 436 C D H X S+ 0 0 24 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.896 110.0 48.5 -60.6 -40.1 0.5 -5.7 15.3 74 437 C V H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.905 109.7 51.9 -66.3 -42.1 3.6 -3.7 14.2 75 438 C R H X S+ 0 0 148 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.914 111.3 47.7 -55.2 -45.7 5.4 -6.9 13.1 76 439 C N H X S+ 0 0 74 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.893 109.9 52.2 -68.9 -35.6 2.3 -7.8 11.0 77 440 C L H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.911 106.8 53.4 -64.7 -40.8 2.1 -4.3 9.5 78 441 C N H X S+ 0 0 49 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.933 111.5 46.2 -58.1 -44.1 5.8 -4.6 8.5 79 442 C A H X S+ 0 0 38 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.920 112.9 49.0 -67.2 -41.3 5.0 -7.9 6.7 80 443 C I H X S+ 0 0 40 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.916 110.0 50.7 -64.2 -45.5 1.9 -6.5 5.0 81 444 C V H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.891 108.2 53.5 -64.2 -34.8 3.7 -3.4 3.8 82 445 C Q H X S+ 0 0 136 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.921 110.3 47.2 -63.2 -41.3 6.4 -5.6 2.3 83 446 C K H X S+ 0 0 137 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.913 111.9 50.5 -66.8 -39.1 3.8 -7.6 0.5 84 447 C L H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.896 108.1 52.1 -67.4 -39.6 2.1 -4.4 -0.8 85 448 C Q H X S+ 0 0 84 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.932 111.1 48.0 -62.5 -42.0 5.4 -3.0 -2.0 86 449 C E H X S+ 0 0 96 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.908 110.7 50.8 -63.2 -45.0 6.0 -6.3 -4.0 87 450 C R H X S+ 0 0 53 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.908 111.3 48.4 -60.6 -40.7 2.5 -6.2 -5.4 88 451 C L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.916 110.1 51.7 -64.5 -44.3 3.0 -2.6 -6.6 89 452 C D H X S+ 0 0 50 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.945 112.5 45.9 -56.5 -51.0 6.4 -3.4 -8.1 90 453 C R H X S+ 0 0 166 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.900 113.7 48.5 -62.9 -40.7 4.9 -6.4 -10.1 91 454 C L H X S+ 0 0 10 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.910 108.7 52.5 -70.3 -37.0 1.9 -4.3 -11.2 92 455 C E H X S+ 0 0 63 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.922 112.1 47.6 -60.9 -43.6 4.1 -1.4 -12.3 93 456 C E H X S+ 0 0 118 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.916 110.7 51.4 -64.5 -42.3 6.1 -3.9 -14.4 94 457 C T H X S+ 0 0 63 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.921 110.9 47.6 -60.6 -45.0 3.0 -5.5 -15.8 95 458 C V H < S+ 0 0 32 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.905 112.1 48.8 -65.6 -40.5 1.7 -2.1 -16.9 96 459 C Q H < S+ 0 0 176 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.815 115.0 46.4 -67.8 -28.0 5.0 -1.0 -18.5 97 460 C A H < 0 0 88 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.672 360.0 360.0 -86.4 -24.4 5.2 -4.4 -20.4 98 461 C K < 0 0 176 -4,-1.4 -4,-0.0 -3,-0.3 0, 0.0 -0.690 360.0 360.0 -94.6 360.0 1.7 -4.7 -21.8