==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-JUN-10 2KZC . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: JANNASCHIA SP.; . AUTHOR B.MOHANTY,P.SERRANO,M.GERALT,R.HORST,I.A.WILSON,K.WUTHRICH,J . 85 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 78.8 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 . 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 . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.4 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 2 0 0 0 0 0 0 0 0 0 1 1 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 0 107 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 155.2 -18.7 6.7 1.7 2 2 A M > + 0 0 119 1,-0.1 4,-2.8 2,-0.1 5,-0.3 0.564 360.0 97.1 -98.8 -8.3 -16.3 4.1 0.1 3 3 A Q H > S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.753 87.8 38.7 -45.0 -45.1 -13.1 6.2 0.5 4 4 A F H > S+ 0 0 165 2,-0.3 4,-2.9 3,-0.2 5,-0.3 0.889 115.1 47.8 -93.7 -49.5 -11.9 4.7 3.8 5 5 A K H > S+ 0 0 129 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.948 119.0 44.8 -53.5 -50.6 -12.8 1.0 3.2 6 6 A A H X S+ 0 0 10 -4,-2.8 4,-2.5 2,-0.2 -2,-0.3 0.831 112.9 51.6 -64.1 -38.1 -11.1 1.5 -0.2 7 7 A E H X S+ 0 0 49 -4,-1.4 4,-3.1 -5,-0.3 5,-0.3 0.998 109.9 47.1 -61.4 -62.0 -8.2 3.4 1.4 8 8 A A H X S+ 0 0 47 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.826 116.5 45.8 -48.9 -42.3 -7.4 0.7 4.0 9 9 A R H X S+ 0 0 61 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.2 0.936 114.9 45.7 -69.0 -49.0 -7.6 -2.0 1.3 10 10 A R H X S+ 0 0 18 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.939 116.6 46.0 -55.5 -50.3 -5.4 -0.1 -1.2 11 11 A N H X S+ 0 0 3 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.949 115.9 45.2 -64.9 -49.5 -2.9 0.8 1.5 12 12 A K H X S+ 0 0 97 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.925 111.6 52.3 -56.7 -52.3 -2.8 -2.8 2.9 13 13 A L H X S+ 0 0 29 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.877 107.8 51.0 -57.3 -42.8 -2.6 -4.4 -0.6 14 14 A M H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 3,-0.3 0.940 105.1 58.3 -62.9 -42.6 0.4 -2.2 -1.6 15 15 A G H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.894 104.2 51.0 -48.1 -48.0 2.1 -3.3 1.7 16 16 A L H X S+ 0 0 63 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.863 112.3 46.1 -64.1 -37.9 1.9 -6.9 0.6 17 17 A W H X S+ 0 0 38 -4,-1.6 4,-2.4 -3,-0.3 -2,-0.2 0.961 113.8 47.7 -65.2 -50.8 3.5 -6.2 -2.8 18 18 A V H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.896 110.6 53.8 -58.1 -40.3 6.2 -4.0 -1.2 19 19 A A H X>S+ 0 0 0 -4,-2.8 5,-2.4 -5,-0.3 4,-1.7 0.918 108.0 48.7 -59.0 -45.3 6.8 -6.9 1.3 20 20 A E H <5S+ 0 0 148 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.910 110.6 51.6 -63.4 -39.3 7.2 -9.4 -1.5 21 21 A V H <5S+ 0 0 23 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.822 109.1 51.0 -64.7 -33.7 9.7 -7.0 -3.1 22 22 A L H <5S- 0 0 45 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.843 119.2-112.3 -66.7 -33.2 11.6 -6.8 0.2 23 23 A G T <5 + 0 0 61 -4,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.517 68.7 145.2 95.9 15.6 11.8 -10.6 0.4 24 24 A K < - 0 0 41 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.3 -0.404 24.9-176.6 -65.4 163.9 9.4 -10.8 3.4 25 25 A S >> + 0 0 91 -2,-0.1 3,-1.4 -3,-0.1 4,-0.7 -0.933 41.2 0.3-151.8 173.1 7.1 -13.8 3.5 26 26 A G H 3> S- 0 0 59 -2,-0.3 4,-0.8 1,-0.3 3,-0.4 -0.136 128.9 -6.0 51.9-126.5 4.2 -15.2 5.7 27 27 A D H 3> S+ 0 0 131 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.756 125.3 70.3 -78.1 -23.6 3.3 -13.0 8.6 28 28 A E H <> S+ 0 0 115 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.869 103.1 47.4 -57.2 -37.8 6.2 -10.5 8.1 29 29 A A H X S+ 0 0 11 -4,-0.7 4,-2.1 -3,-0.4 -1,-0.2 0.833 110.8 50.1 -69.2 -38.5 4.2 -9.4 5.0 30 30 A N H < S+ 0 0 82 -4,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.888 111.7 48.1 -71.4 -40.3 0.9 -9.1 7.0 31 31 A A H >X S+ 0 0 58 -4,-2.8 3,-1.6 2,-0.2 4,-1.5 0.923 112.5 49.0 -63.3 -43.7 2.6 -7.0 9.7 32 32 A Y H 3X S+ 0 0 3 -4,-2.0 4,-1.9 1,-0.3 5,-0.2 0.887 101.9 63.5 -63.7 -36.6 4.1 -4.8 6.9 33 33 A A H 3< S+ 0 0 4 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.494 103.5 49.3 -70.2 -2.5 0.7 -4.6 5.4 34 34 A A H X4 S+ 0 0 52 -3,-1.6 3,-0.8 -4,-0.1 4,-0.5 0.762 104.6 58.7 -91.0 -40.4 -0.4 -2.8 8.6 35 35 A E H >< S+ 0 0 84 -4,-1.5 3,-1.7 1,-0.3 -2,-0.2 0.898 102.7 50.9 -55.9 -47.2 2.6 -0.4 8.5 36 36 A V G >< S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.783 109.3 52.8 -65.3 -23.4 1.7 1.1 5.1 37 37 A V G < S+ 0 0 39 -3,-0.8 3,-0.3 -5,-0.2 -1,-0.3 0.531 102.8 62.0 -80.7 -10.9 -1.9 1.7 6.4 38 38 A K G < S+ 0 0 162 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.1 -0.147 90.3 66.1-112.7 33.7 -0.4 3.5 9.4 39 39 A A S < S+ 0 0 5 -3,-0.5 4,-0.2 2,-0.0 -1,-0.2 -0.017 75.3 83.8-141.6 22.7 1.3 6.4 7.5 40 40 A D S S+ 0 0 41 -3,-0.3 5,-0.1 8,-0.1 -2,-0.1 0.290 73.8 68.8-122.9 10.5 -1.7 8.4 6.0 41 41 A F S S+ 0 0 159 3,-0.1 3,-0.1 1,-0.1 -1,-0.1 0.747 90.0 58.4-100.0 -37.2 -2.8 10.7 8.9 42 42 A E S S+ 0 0 116 1,-0.3 2,-0.3 2,-0.0 -2,-0.1 0.850 122.7 12.9 -68.8 -33.7 0.2 13.1 9.1 43 43 A E S S- 0 0 94 -4,-0.2 4,-0.3 2,-0.0 -1,-0.3 -0.990 79.6-130.0-145.5 136.1 -0.2 14.3 5.4 44 44 A A S S+ 0 0 86 -2,-0.3 2,-0.7 -3,-0.1 3,-0.4 -0.053 75.0 22.2 -69.4 177.4 -3.1 13.7 3.0 45 45 A G S S- 0 0 65 1,-0.2 -2,-0.0 -5,-0.1 -1,-0.0 -0.519 123.0 -44.5 74.0-108.4 -2.9 12.4 -0.6 46 46 A H S S+ 0 0 76 -2,-0.7 -1,-0.2 3,-0.0 -2,-0.1 -0.418 99.0 105.5-158.3 75.3 0.4 10.4 -1.0 47 47 A E S >> S+ 0 0 126 -3,-0.4 4,-1.4 -4,-0.3 3,-0.8 0.639 83.8 30.5-116.2 -79.4 3.3 12.2 0.6 48 48 A D H 3> S+ 0 0 18 1,-0.3 4,-1.1 -4,-0.2 -8,-0.1 0.715 117.9 60.8 -64.5 -19.5 4.6 10.7 3.9 49 49 A V H 3> S+ 0 0 4 2,-0.2 4,-2.3 -6,-0.2 -1,-0.3 0.928 102.8 49.6 -63.2 -51.8 3.4 7.3 2.7 50 50 A M H <> S+ 0 0 17 -3,-0.8 4,-2.9 1,-0.3 5,-0.3 0.967 109.8 48.5 -65.4 -51.7 5.7 7.3 -0.3 51 51 A R H X S+ 0 0 150 -4,-1.4 4,-2.3 1,-0.2 5,-0.3 0.824 110.8 54.9 -52.6 -35.3 8.9 8.2 1.7 52 52 A K H X S+ 0 0 33 -4,-1.1 4,-2.4 -5,-0.2 -2,-0.2 0.975 114.8 36.1 -62.1 -57.9 8.0 5.5 4.2 53 53 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.842 119.5 50.2 -66.9 -34.3 7.8 2.7 1.6 54 54 A L H X>S+ 0 0 37 -4,-2.9 4,-1.0 -5,-0.2 5,-0.8 0.942 113.7 43.4 -71.7 -47.9 10.7 4.1 -0.5 55 55 A G H ><5S+ 0 0 53 -4,-2.3 3,-0.6 -5,-0.3 -2,-0.2 0.908 114.3 51.7 -62.1 -41.1 13.0 4.4 2.5 56 56 A D H 3<5S+ 0 0 67 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.898 106.1 54.4 -63.2 -39.8 11.9 1.0 3.7 57 57 A L H ><5S- 0 0 1 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 0.706 94.6-151.2 -68.3 -21.3 12.7 -0.5 0.2 58 58 A D T <<5S- 0 0 155 -4,-1.0 -3,-0.1 -3,-0.6 -2,-0.1 0.703 70.4 -47.3 64.6 20.7 16.2 1.0 0.6 59 59 A G T 3 > - 0 0 79 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.362 31.4-123.2 -64.6 145.9 12.7 2.3 -8.9 63 63 A E H 3> S+ 0 0 84 1,-0.2 4,-3.1 2,-0.2 5,-0.4 0.876 110.4 64.1 -56.7 -39.6 10.1 4.9 -7.7 64 64 A A H 3> S+ 0 0 76 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.860 107.2 41.4 -57.5 -39.7 8.4 4.8 -11.1 65 65 A E H <> S+ 0 0 70 -3,-0.7 4,-2.3 2,-0.1 -1,-0.2 0.961 117.6 49.2 -65.4 -51.8 7.5 1.1 -10.5 66 66 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.913 112.7 41.9 -58.1 -57.4 6.6 1.7 -6.9 67 67 A R H X S+ 0 0 130 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.897 114.0 53.4 -66.2 -35.5 4.2 4.8 -7.2 68 68 A A H X S+ 0 0 59 -4,-1.1 4,-2.7 -5,-0.4 5,-0.2 0.912 106.5 53.8 -61.7 -42.2 2.6 3.3 -10.3 69 69 A K H X S+ 0 0 83 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.939 112.0 44.3 -53.2 -53.3 1.9 0.1 -8.3 70 70 A Y H >< S+ 0 0 2 -4,-1.9 3,-0.6 1,-0.2 4,-0.5 0.944 114.9 47.2 -57.4 -54.2 0.2 2.2 -5.5 71 71 A E H >< S+ 0 0 119 -4,-2.6 3,-1.0 1,-0.3 4,-0.3 0.872 112.8 48.8 -59.0 -45.1 -1.9 4.4 -7.9 72 72 A G H >X S+ 0 0 46 -4,-2.7 3,-0.9 1,-0.2 4,-0.8 0.780 99.2 70.1 -65.7 -27.1 -3.1 1.4 -10.0 73 73 A L H S+ 0 0 84 -3,-1.0 4,-1.7 -4,-0.5 -1,-0.2 0.915 98.1 46.8 -58.9 -39.9 -7.1 1.8 -6.1 75 75 A A H <> S+ 0 0 73 -3,-0.9 4,-1.4 -4,-0.3 -1,-0.2 0.947 115.2 45.0 -61.9 -51.3 -9.0 -0.1 -8.8 76 76 A V H >X S+ 0 0 67 -4,-0.8 4,-2.4 2,-0.2 3,-0.6 0.930 109.1 56.7 -58.9 -47.9 -7.9 -3.5 -7.5 77 77 A A H 3X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.3 -1,-0.2 0.882 109.9 44.9 -52.4 -47.2 -8.7 -2.5 -3.9 78 78 A K H 3X S+ 0 0 104 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.3 0.698 107.7 58.0 -75.6 -24.7 -12.3 -1.6 -4.8 79 79 A A H XX S+ 0 0 55 -4,-1.4 3,-2.0 -3,-0.6 4,-1.9 0.984 106.4 50.3 -59.6 -57.0 -12.7 -4.8 -6.8 80 80 A Q H 3X S+ 0 0 65 -4,-2.4 4,-2.0 1,-0.3 -2,-0.2 0.798 106.1 54.0 -53.4 -41.4 -11.8 -6.8 -3.7 81 81 A L H 3< S+ 0 0 26 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.633 116.3 37.6 -73.4 -19.2 -14.4 -5.0 -1.5 82 82 A M H << S+ 0 0 117 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.593 119.2 50.1 -97.1 -21.2 -17.3 -5.8 -3.9 83 83 A D H < S+ 0 0 135 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.619 101.5 62.2 -87.6 -22.6 -15.8 -9.3 -4.6 84 84 A E < 0 0 117 -4,-2.0 -1,-0.2 -5,-0.3 -3,-0.1 0.512 360.0 360.0 -75.1 -13.6 -15.4 -10.1 -0.9 85 85 A L 0 0 187 -3,-0.2 -3,-0.1 -5,-0.1 -4,-0.0 0.083 360.0 360.0 -70.4 360.0 -19.2 -9.8 -0.5