==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 06-MAY-09 2KIK . COMPND 2 MOLECULE: ARTIFICIAL DIIRON PROTEIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR O.MAGLIO,A.LOMBARDI . 96 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7267.0 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 57.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.1 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 1 0 0 0 0 0 0 0 1 0 0 1 1 0 0 0 0 1 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 D >> 0 0 161 0, 0.0 4,-1.7 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 -25.5 3.3 11.5 -12.4 2 2 A Y H 3> + 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.780 360.0 60.5 -51.7 -36.6 2.5 9.1 -9.5 3 3 A L H 3> S+ 0 0 67 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.908 106.8 45.0 -62.0 -44.9 -0.5 7.5 -11.4 4 4 A R H <> S+ 0 0 188 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.898 111.6 52.9 -66.7 -38.3 1.7 6.2 -14.3 5 5 A E H X S+ 0 0 128 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.889 113.7 44.9 -63.3 -37.1 4.2 5.0 -11.7 6 6 A L H >X S+ 0 0 18 -4,-2.4 4,-1.5 -5,-0.2 3,-0.8 0.965 113.8 48.1 -61.0 -59.5 1.3 3.1 -10.0 7 7 A L H 3X S+ 0 0 32 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.847 106.7 56.2 -57.7 -42.4 -0.2 1.7 -13.3 8 8 A K H 3X S+ 0 0 133 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.820 108.4 49.8 -58.9 -33.7 3.2 0.4 -14.7 9 9 A G H X< S+ 0 0 35 -3,-0.8 3,-0.6 -4,-0.8 4,-0.3 0.864 101.7 55.1 -84.5 -38.2 3.7 -1.7 -11.6 10 10 A E H >X S+ 0 0 15 -4,-1.5 3,-1.5 1,-0.2 4,-1.4 0.870 103.3 59.7 -62.8 -30.0 0.4 -3.6 -11.2 11 11 A L H 3X S+ 0 0 88 -4,-1.1 4,-1.0 1,-0.3 -1,-0.2 0.851 95.3 63.8 -64.0 -29.2 0.9 -4.8 -14.9 12 12 A Q H << S+ 0 0 149 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.597 107.0 43.6 -69.4 -12.6 4.2 -6.4 -13.6 13 13 A G H <> S+ 0 0 21 -3,-1.5 4,-2.1 -4,-0.3 3,-0.3 0.767 99.8 66.2-103.6 -33.3 2.0 -8.7 -11.3 14 14 A I H X S+ 0 0 39 -4,-1.4 4,-1.3 1,-0.2 -2,-0.1 0.929 104.2 45.0 -58.4 -48.9 -0.8 -9.8 -13.7 15 15 A K H < S+ 0 0 164 -4,-1.0 4,-0.3 1,-0.2 -1,-0.2 0.757 112.8 51.2 -70.5 -26.0 1.4 -11.8 -16.0 16 16 A Q H >> S+ 0 0 74 -3,-0.3 3,-1.0 -4,-0.2 4,-0.8 0.878 105.1 55.0 -78.3 -39.7 3.3 -13.6 -13.2 17 17 A Y H >X S+ 0 0 3 -4,-2.1 4,-0.6 1,-0.2 3,-0.6 0.849 98.8 62.5 -61.9 -35.1 0.2 -14.7 -11.3 18 18 A R H 3< S+ 0 0 190 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.727 103.9 50.5 -65.9 -21.2 -1.1 -16.5 -14.5 19 19 A E H X4 S+ 0 0 124 -3,-1.0 3,-1.5 -4,-0.3 -1,-0.2 0.771 95.8 70.5 -78.1 -31.9 2.0 -18.8 -14.3 20 20 A A H XX S+ 0 0 4 -4,-0.8 4,-2.7 -3,-0.6 3,-1.5 0.712 79.2 72.8 -74.3 -21.1 1.6 -19.7 -10.6 21 21 A L H 3X S+ 0 0 78 -4,-0.6 4,-1.3 1,-0.3 -1,-0.3 0.764 87.0 68.4 -63.4 -20.6 -1.5 -22.0 -11.0 22 22 A E H <4 S+ 0 0 139 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.767 115.5 23.8 -66.5 -24.3 0.9 -24.6 -12.6 23 23 A Y H <4 S+ 0 0 183 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.701 132.7 37.1-113.9 -31.6 2.6 -25.1 -9.2 24 24 A T H < S- 0 0 32 -4,-2.7 -3,-0.2 2,-0.1 -2,-0.1 0.810 72.7-165.4 -87.6 -34.7 -0.1 -24.1 -6.7 25 25 A H < + 0 0 126 -4,-1.3 -4,-0.1 -5,-0.3 -3,-0.1 0.819 43.2 144.5 41.3 39.8 -3.2 -25.4 -8.5 26 26 A N > - 0 0 49 -6,-0.1 3,-0.7 1,-0.1 4,-0.5 -0.760 64.9-131.5-108.4 152.9 -5.2 -23.2 -6.0 27 27 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.582 96.1 83.5 -72.7 -10.4 -8.5 -21.1 -6.2 28 28 A V T >> S+ 0 0 17 1,-0.2 4,-3.0 2,-0.2 3,-1.6 0.896 86.9 52.2 -62.0 -38.7 -6.5 -18.2 -4.5 29 29 A L H <>>S+ 0 0 5 -3,-0.7 4,-1.1 1,-0.3 5,-1.0 0.869 98.6 65.0 -68.6 -32.4 -5.1 -17.1 -7.9 30 30 A A H 345S+ 0 0 54 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.353 115.8 31.2 -69.5 5.6 -8.7 -17.0 -9.2 31 31 A K H <>5S+ 0 0 115 -3,-1.6 4,-1.9 3,-0.1 -2,-0.2 0.571 119.3 50.1-120.5 -45.9 -9.2 -14.2 -6.7 32 32 A I H >X5S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 3,-0.5 0.979 123.2 27.9 -61.7 -65.9 -5.7 -12.4 -6.5 33 33 A L H 3X5S+ 0 0 25 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.778 113.1 67.7 -72.4 -23.1 -5.1 -11.9 -10.3 34 34 A E H 3> S+ 0 0 128 -4,-0.5 4,-3.2 -3,-0.3 5,-0.2 0.873 110.4 61.4 -68.2 -34.4 -8.5 -0.3 -15.4 42 42 A W H X S+ 0 0 81 -4,-2.9 4,-0.7 1,-0.2 -2,-0.2 0.901 108.2 42.8 -56.3 -44.0 -10.2 0.5 -12.0 43 43 A L H < S+ 0 0 20 -4,-2.3 4,-0.4 -5,-0.1 -1,-0.2 0.859 119.0 46.6 -63.9 -38.9 -7.5 3.2 -11.3 44 44 A E H >< S+ 0 0 95 -4,-1.5 3,-1.6 -5,-0.2 4,-0.4 0.894 98.6 64.3 -78.7 -43.2 -7.7 4.5 -14.9 45 45 A T H >< S+ 0 0 107 -4,-3.2 3,-0.8 1,-0.3 -1,-0.2 0.815 99.1 60.0 -49.4 -34.1 -11.6 4.7 -15.3 46 46 A I T 3< S+ 0 0 68 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.824 86.6 73.7 -62.4 -35.8 -11.4 7.4 -12.6 47 47 A L T < 0 0 129 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.676 360.0 360.0 -65.1 -18.2 -9.1 9.8 -14.6 48 48 A G < 0 0 107 -3,-0.8 -2,-0.1 -4,-0.4 -1,-0.1 0.295 360.0 360.0-174.9 360.0 -12.0 10.8 -17.0 49 !* 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 50 1 B D > 0 0 151 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -27.5 11.8 -18.3 -5.5 51 2 B Y H > + 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.827 360.0 58.7 -54.9 -35.1 8.8 -17.0 -7.5 52 3 B L H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.931 104.5 48.8 -63.7 -46.7 6.8 -16.8 -4.3 53 4 B R H > S+ 0 0 173 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.897 112.6 49.2 -57.5 -41.8 9.4 -14.4 -2.7 54 5 B E H < S+ 0 0 123 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.866 113.8 46.4 -67.3 -37.0 9.2 -12.3 -5.9 55 6 B L H < S+ 0 0 19 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.937 114.3 46.1 -64.8 -53.6 5.4 -12.3 -5.8 56 7 B L H >< S+ 0 0 41 -4,-2.8 2,-1.0 1,-0.1 3,-0.9 0.870 98.6 73.0 -58.4 -47.5 5.1 -11.4 -2.0 57 8 B K T 3< S+ 0 0 149 -4,-1.7 -1,-0.1 1,-0.2 -4,-0.0 -0.653 98.5 29.7 -93.1 93.1 7.6 -8.5 -1.9 58 9 B G T 3 S+ 0 0 26 -2,-1.0 4,-0.3 0, 0.0 3,-0.2 0.137 81.6 99.4 142.4 -9.4 6.3 -5.3 -3.6 59 10 B E S X> S+ 0 0 25 -3,-0.9 4,-2.4 -4,-0.3 3,-1.3 0.922 91.0 52.2 -59.2 -37.1 2.5 -5.6 -3.1 60 11 B L H 3> S+ 0 0 76 -4,-0.4 4,-1.4 2,-0.3 5,-0.3 0.669 93.4 68.7 -69.3 -20.2 3.4 -3.1 -0.1 61 12 B Q H 34 S+ 0 0 154 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.573 113.1 33.5 -72.0 -7.9 5.2 -1.0 -2.7 62 13 B G H <> S+ 0 0 14 -3,-1.3 4,-2.8 -4,-0.3 -2,-0.3 0.773 112.7 58.5-102.0 -50.5 1.5 -0.5 -3.8 63 14 B I H X S+ 0 0 34 -4,-2.4 4,-1.5 1,-0.2 -3,-0.2 0.871 112.2 39.7 -50.1 -51.6 -0.4 -0.7 -0.5 64 15 B K H X S+ 0 0 154 -4,-1.4 4,-1.0 2,-0.2 -1,-0.2 0.852 115.4 52.7 -69.8 -34.2 1.4 2.3 1.1 65 16 B Q H > S+ 0 0 56 -5,-0.3 4,-2.0 -3,-0.2 3,-0.4 0.907 107.9 50.9 -67.9 -42.1 1.4 4.3 -2.1 66 17 B Y H X S+ 0 0 4 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.864 104.1 58.5 -61.6 -38.9 -2.4 3.9 -2.6 67 18 B R H < S+ 0 0 178 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.814 112.4 40.2 -64.0 -30.6 -2.9 5.2 1.0 68 19 B E H >< S+ 0 0 121 -4,-1.0 3,-1.4 -3,-0.4 4,-0.4 0.822 106.1 65.4 -80.4 -37.1 -1.1 8.5 0.1 69 20 B A H >X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.3 3,-1.5 0.811 88.1 66.9 -62.7 -33.7 -2.7 8.8 -3.4 70 21 B L H 3X S+ 0 0 66 -4,-1.4 4,-1.9 1,-0.3 -1,-0.3 0.777 88.1 68.6 -60.6 -24.2 -6.3 9.3 -2.0 71 22 B E H <4 S+ 0 0 138 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.813 113.8 29.5 -64.9 -26.5 -5.1 12.6 -0.6 72 23 B Y H <4 S+ 0 0 183 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.837 130.3 36.4 -92.3 -45.7 -4.9 13.8 -4.3 73 24 B T H < S- 0 0 35 -4,-2.6 -3,-0.2 2,-0.1 -2,-0.2 0.895 76.5-160.3 -78.4 -38.6 -7.6 11.6 -5.9 74 25 B H < + 0 0 138 -4,-1.9 -4,-0.1 -5,-0.2 -3,-0.1 0.906 41.5 142.9 49.9 50.3 -10.3 11.6 -3.1 75 26 B N > - 0 0 47 1,-0.1 3,-0.8 0, 0.0 4,-0.4 -0.921 59.4-137.2-122.3 146.4 -12.0 8.4 -4.7 76 27 B P T 3 S+ 0 0 104 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.611 92.8 81.6 -74.4 -12.7 -13.7 5.2 -3.3 77 28 B V T >> S+ 0 0 25 1,-0.2 4,-2.7 2,-0.2 3,-1.7 0.865 83.8 58.8 -64.4 -33.5 -11.9 2.9 -5.9 78 29 B L H <>>S+ 0 0 8 -3,-0.8 4,-1.5 1,-0.3 5,-1.0 0.875 94.8 65.6 -66.2 -28.8 -8.7 2.9 -3.8 79 30 B A H 345S+ 0 0 47 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.152 111.6 36.4 -74.6 19.2 -11.0 1.4 -1.1 80 31 B K H <>5S+ 0 0 93 -3,-1.7 4,-1.5 3,-0.0 -2,-0.2 0.427 120.5 44.5-128.5 -42.9 -11.2 -1.6 -3.6 81 32 B I H >X5S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 3,-0.9 0.998 126.2 30.1 -62.3 -67.9 -7.6 -1.6 -5.0 82 33 B L H 3X5S+ 0 0 29 -4,-1.5 4,-1.6 1,-0.3 -3,-0.2 0.811 114.5 64.7 -67.9 -26.3 -5.7 -1.2 -1.7 83 34 B E H 34 S+ 0 0 71 -3,-1.3 4,-3.0 -4,-0.4 -2,-0.2 0.871 103.9 75.3 -83.9 -44.5 -5.4 -9.4 1.4 88 39 B H H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.756 95.5 47.3 -48.1 -44.8 -3.2 -10.4 -1.7 89 40 B I H X S+ 0 0 39 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.976 118.6 39.0 -61.5 -57.7 0.1 -11.0 0.2 90 41 B E H > S+ 0 0 135 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.829 110.9 63.4 -67.7 -28.1 -1.4 -13.1 3.0 91 42 B W H X S+ 0 0 73 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.966 112.1 33.2 -54.0 -57.2 -3.7 -14.8 0.4 92 43 B L H X S+ 0 0 12 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.828 118.8 54.5 -76.1 -26.3 -0.7 -16.3 -1.5 93 44 B E H >< S+ 0 0 93 -4,-2.3 3,-0.7 -5,-0.2 4,-0.4 0.878 100.4 60.4 -69.8 -36.5 1.4 -16.8 1.7 94 45 B T H >< S+ 0 0 96 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.837 95.0 64.3 -60.4 -34.1 -1.4 -18.8 3.5 95 46 B I H 3< S+ 0 0 61 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.830 87.4 66.5 -63.6 -36.1 -1.3 -21.6 0.8 96 47 B L T << 0 0 116 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.1 0.685 360.0 360.0 -65.9 -16.3 2.3 -22.8 1.5 97 48 B G < 0 0 107 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.523 360.0 360.0 -78.1 360.0 1.1 -24.1 5.0