==== 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 21-FEB-07 2JO5 . COMPND 2 MOLECULE: KIA7F; . SOURCE 2 SYNTHETIC: YES . AUTHOR J.LOPEZ DE LA OSA,C.GONZALEZ,D.V.LAURENTS,A.CHAKRABARTTY, . 80 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 58 72.5 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 . 14 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.5 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 1 0 3 0 0 0 0 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 2 A A > 0 0 47 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 2.8 0.9 12.0 -1.3 2 3 A K T 3 + 0 0 216 1,-0.3 3,-0.2 37,-0.2 4,-0.2 0.826 360.0 48.4 -49.3 -37.1 1.3 13.9 -4.5 3 4 A A T 3> S+ 0 0 23 1,-0.2 4,-1.6 2,-0.1 -1,-0.3 0.301 86.2 100.5 -77.0 -2.9 2.4 10.5 -5.7 4 5 A A H <> S+ 0 0 0 -3,-1.7 4,-2.9 2,-0.2 5,-0.4 0.919 74.4 50.7 -69.2 -45.2 -0.5 8.7 -4.2 5 6 A A H > S+ 0 0 49 -4,-0.4 4,-2.3 -3,-0.2 5,-0.2 0.939 113.1 49.6 -51.8 -48.8 -2.9 8.1 -7.2 6 7 A A H 4 S+ 0 0 74 -4,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.805 117.9 38.9 -59.5 -36.6 0.1 6.7 -9.1 7 8 A A H >X S+ 0 0 0 -4,-1.6 4,-1.7 -3,-0.3 3,-0.5 0.932 119.6 42.6 -77.9 -49.2 1.1 4.3 -6.3 8 9 A I H 3X S+ 0 0 4 -4,-2.9 4,-3.1 1,-0.2 5,-0.4 0.809 103.0 64.3 -75.5 -34.1 -2.3 3.2 -5.1 9 10 A K H 3< S+ 0 0 156 -4,-2.3 4,-0.4 -5,-0.4 -1,-0.2 0.729 107.7 45.3 -71.0 -21.4 -4.0 2.7 -8.4 10 11 A A H X> S+ 0 0 32 -3,-0.5 4,-2.5 -4,-0.4 3,-0.7 0.945 116.5 43.2 -71.7 -61.8 -1.6 -0.1 -9.1 11 12 A I H 3X S+ 0 0 7 -4,-1.7 4,-3.3 20,-0.3 -2,-0.2 0.896 111.8 50.1 -63.7 -43.8 -1.9 -1.7 -5.7 12 13 A A H 3X S+ 0 0 40 -4,-3.1 4,-1.4 1,-0.2 -1,-0.3 0.812 115.5 45.9 -64.9 -26.2 -5.6 -1.6 -5.2 13 14 A A H <> S+ 0 0 63 -3,-0.7 4,-1.0 -4,-0.4 -1,-0.2 0.862 113.5 47.6 -77.7 -37.7 -6.0 -3.1 -8.7 14 15 A I H X S+ 0 0 49 -4,-2.5 4,-3.1 2,-0.2 3,-0.4 0.902 109.4 56.2 -69.0 -36.9 -3.4 -5.7 -8.0 15 16 A I H X>S+ 0 0 25 -4,-3.3 4,-3.0 1,-0.2 5,-0.7 0.901 102.2 54.5 -53.7 -49.0 -5.1 -6.4 -4.7 16 17 A K H <5S+ 0 0 182 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.789 115.2 41.1 -60.9 -28.8 -8.4 -7.1 -6.5 17 18 A A H <5S+ 0 0 87 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.920 118.1 44.6 -82.6 -46.4 -6.4 -9.7 -8.5 18 19 A G H <5S- 0 0 37 -4,-3.1 -2,-0.2 6,-0.1 -3,-0.2 0.894 94.8-135.8 -66.4 -46.4 -4.4 -11.2 -5.7 19 20 A G T <5 0 0 62 -4,-3.0 -3,-0.1 -5,-0.2 -4,-0.1 0.875 360.0 360.0 86.3 43.9 -7.1 -11.5 -3.1 20 21 A F < 0 0 56 -5,-0.7 52,-0.1 2,-0.1 -4,-0.1 0.915 360.0 360.0 -64.1 360.0 -5.2 -10.2 -0.1 21 !* 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 22 24 B A > 0 0 78 0, 0.0 3,-2.0 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -1.8 -0.4 -13.2 -0.6 23 25 B K T 3 + 0 0 223 1,-0.3 3,-0.4 -5,-0.2 4,-0.3 0.825 360.0 53.3 -47.8 -35.5 1.4 -14.7 -3.6 24 26 B A T 3> S+ 0 0 20 1,-0.2 4,-2.8 2,-0.1 5,-0.3 0.335 79.1 104.8 -80.0 -1.2 1.0 -11.2 -5.0 25 27 B A T <4 S+ 0 0 3 -3,-2.0 -1,-0.2 2,-0.2 -2,-0.1 0.388 82.7 39.7 -86.8 6.1 2.6 -9.5 -2.0 26 28 B A T > S+ 0 0 42 -3,-0.4 4,-2.9 3,-0.1 3,-0.5 0.725 117.9 47.9 -91.2 -55.3 6.0 -8.7 -3.6 27 29 B A H > S+ 0 0 63 -4,-0.3 4,-0.9 1,-0.3 -2,-0.2 0.797 114.9 43.9 -56.4 -39.1 4.5 -7.7 -6.9 28 30 B A H < S+ 0 0 0 -4,-2.8 -1,-0.3 2,-0.2 -3,-0.2 0.848 115.9 48.0 -72.8 -34.5 1.8 -5.4 -5.5 29 31 B I H >> S+ 0 0 7 -3,-0.5 4,-3.5 -5,-0.3 3,-1.9 0.861 103.1 59.8 -80.9 -37.5 4.2 -3.8 -3.0 30 32 B K H 3X S+ 0 0 143 -4,-2.9 4,-1.4 1,-0.3 5,-0.2 0.897 100.1 59.9 -56.0 -38.8 6.9 -3.2 -5.5 31 33 B A H 3< S+ 0 0 27 -4,-0.9 -1,-0.3 -5,-0.2 -20,-0.3 0.409 119.2 26.3 -76.3 3.4 4.4 -1.0 -7.3 32 34 B I H X> S+ 0 0 7 -3,-1.9 4,-3.2 -22,-0.1 3,-1.3 0.597 115.6 56.3-122.2 -45.1 4.0 1.2 -4.3 33 35 B A H 3X S+ 0 0 39 -4,-3.5 4,-1.5 1,-0.3 -3,-0.2 0.801 109.1 49.2 -65.9 -27.5 7.3 1.0 -2.3 34 36 B A H 3< S+ 0 0 66 -4,-1.4 4,-0.4 -5,-0.3 -1,-0.3 0.693 115.1 45.0 -76.9 -21.6 9.3 2.1 -5.3 35 37 B I H X> S+ 0 0 51 -3,-1.3 4,-3.0 -5,-0.2 3,-0.6 0.831 107.2 57.6 -91.3 -37.5 6.9 5.0 -5.8 36 38 B I H 3X S+ 0 0 27 -4,-3.2 4,-2.9 1,-0.2 5,-0.4 0.898 99.8 61.3 -49.0 -47.4 6.9 5.8 -2.1 37 39 B K H 3< S+ 0 0 181 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.808 113.3 34.9 -52.0 -38.3 10.7 6.2 -2.5 38 40 B A H <4 S+ 0 0 89 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.2 0.904 121.5 46.6 -79.6 -47.1 9.9 9.0 -5.0 39 41 B G H < S- 0 0 34 -4,-3.0 -37,-0.2 -36,-0.1 -3,-0.2 0.899 87.9-140.2 -68.0 -49.2 6.8 10.5 -3.3 40 42 B G < 0 0 66 -4,-2.9 -3,-0.1 -5,-0.1 -4,-0.1 0.874 360.0 360.0 84.1 44.0 7.9 10.7 0.4 41 43 B F 0 0 19 -5,-0.4 10,-0.2 -40,-0.1 9,-0.1 0.850 360.0 360.0 -62.6 360.0 4.5 9.6 1.7 42 !* 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 43 46 C A > 0 0 49 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 3.1 -5.5 10.9 -0.8 44 47 C K T 3 + 0 0 213 1,-0.3 4,-0.3 37,-0.2 3,-0.2 0.774 360.0 46.6 -51.7 -31.0 -6.5 13.0 2.2 45 48 C A T 3> S+ 0 0 26 1,-0.1 4,-1.3 2,-0.1 -1,-0.3 0.462 90.6 91.7 -83.3 -10.1 -6.1 9.6 4.0 46 49 C A H <> S+ 0 0 0 -3,-1.9 4,-2.6 2,-0.2 5,-0.2 0.826 81.2 46.6 -75.8 -37.6 -2.8 8.8 2.4 47 50 C A H > S+ 0 0 41 -4,-0.5 4,-2.8 1,-0.2 5,-0.3 0.980 116.9 46.4 -58.9 -55.8 -0.2 10.2 4.8 48 51 C A H 4 S+ 0 0 83 -4,-0.3 4,-0.2 1,-0.2 -2,-0.2 0.699 115.9 47.9 -64.8 -19.8 -2.0 8.6 7.8 49 52 C A H >X S+ 0 0 1 -4,-1.3 4,-2.2 2,-0.1 3,-0.9 0.936 118.0 36.2 -76.5 -56.9 -2.3 5.4 5.9 50 53 C I H 3X S+ 0 0 1 -4,-2.6 4,-3.3 2,-0.3 5,-0.4 0.749 101.0 71.2 -84.9 -18.2 1.3 5.0 4.7 51 54 C K H 3< S+ 0 0 146 -4,-2.8 -1,-0.3 -5,-0.2 4,-0.1 0.772 113.5 34.9 -70.4 -19.1 3.1 6.4 7.7 52 55 C A H X> S+ 0 0 43 -3,-0.9 4,-1.9 -5,-0.3 3,-1.0 0.879 120.3 48.7 -76.6 -60.3 1.9 3.1 9.2 53 56 C I H 3X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.833 107.8 50.9 -65.7 -36.8 2.2 1.0 6.1 54 57 C A H 3X S+ 0 0 39 -4,-3.3 4,-1.8 2,-0.2 -1,-0.3 0.818 114.1 47.0 -63.6 -30.6 5.7 2.0 5.0 55 58 C A H <> S+ 0 0 58 -3,-1.0 4,-0.8 -5,-0.4 -2,-0.2 0.790 110.7 51.2 -79.6 -30.5 6.9 1.2 8.6 56 59 C I H X S+ 0 0 49 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.847 109.7 51.4 -73.9 -35.7 5.0 -2.1 8.5 57 60 C I H X>S+ 0 0 27 -4,-2.6 4,-2.9 -5,-0.2 5,-0.5 0.931 106.4 53.1 -61.0 -45.1 6.8 -2.7 5.2 58 61 C K H <5S+ 0 0 176 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.722 114.2 43.5 -63.1 -23.4 10.1 -2.0 7.0 59 62 C A H <5S+ 0 0 85 -4,-0.8 -2,-0.2 -3,-0.1 -1,-0.2 0.829 120.8 40.5 -83.2 -41.4 9.0 -4.6 9.6 60 63 C G H <5S- 0 0 29 -4,-2.7 5,-0.2 6,-0.1 -2,-0.2 0.966 88.2-140.2 -68.8 -61.3 7.8 -7.1 7.0 61 64 C G T <5 0 0 68 -4,-2.9 -3,-0.1 -5,-0.1 -4,-0.1 0.769 360.0 360.0 90.0 37.0 10.4 -7.0 4.2 62 65 C F < 0 0 41 -5,-0.5 -32,-0.1 2,-0.0 -33,-0.1 0.902 360.0 360.0 -50.6 360.0 7.7 -7.2 1.4 63 !* 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 64 68 D A > 0 0 60 0, 0.0 3,-1.7 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 4.0 4.3 -11.2 3.7 65 69 D K T 3 + 0 0 216 1,-0.3 3,-0.1 -5,-0.2 4,-0.1 0.809 360.0 44.2 -45.2 -35.0 4.3 -12.2 7.4 66 70 D A T >> S+ 0 0 16 1,-0.1 4,-1.7 2,-0.1 3,-0.6 0.378 87.7 100.1 -89.3 -5.4 3.2 -8.6 7.7 67 71 D A H X>>S+ 0 0 6 -3,-1.7 4,-2.9 1,-0.2 3,-0.6 0.926 78.3 48.7 -62.2 -49.8 0.7 -8.6 4.8 68 72 D A H 3>5S+ 0 0 66 -4,-0.5 4,-0.5 1,-0.3 -1,-0.2 0.754 114.5 50.2 -62.9 -22.0 -2.6 -9.1 6.7 69 73 D A H <45S+ 0 0 63 -3,-0.6 4,-0.4 3,-0.1 -1,-0.3 0.800 119.1 35.2 -81.4 -32.6 -1.5 -6.2 9.0 70 74 D A H > S+ 0 0 38 -4,-0.4 4,-2.7 -3,-0.3 3,-0.6 0.940 118.2 45.8 -69.0 -59.8 -5.7 -1.7 7.1 74 78 D I H 3X S+ 0 0 8 -4,-2.6 4,-3.0 1,-0.3 -2,-0.2 0.869 110.6 49.3 -67.6 -38.2 -4.8 -0.0 3.8 75 79 D A H 3X S+ 0 0 40 -4,-3.2 4,-1.6 2,-0.2 -1,-0.3 0.829 116.2 45.1 -69.7 -25.8 -7.5 -1.4 1.6 76 80 D A H <> S+ 0 0 57 -3,-0.6 4,-1.2 -5,-0.4 -2,-0.2 0.866 112.4 50.0 -78.8 -36.9 -10.1 -0.5 4.2 77 81 D I H X S+ 0 0 58 -4,-2.7 4,-2.6 2,-0.2 3,-0.3 0.907 110.7 51.9 -64.7 -41.7 -8.5 3.0 4.6 78 82 D I H X S+ 0 0 27 -4,-3.0 4,-1.9 2,-0.2 5,-0.3 0.924 103.3 57.0 -54.1 -48.5 -8.7 3.2 0.8 79 83 D K H < S+ 0 0 175 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.799 115.6 38.3 -53.6 -33.2 -12.4 2.3 0.9 80 84 D A H < S+ 0 0 90 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.786 123.3 40.8 -86.0 -37.3 -12.8 5.3 3.2 81 85 D G H < S- 0 0 37 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.980 84.8-139.1 -75.4 -66.8 -10.3 7.6 1.5 82 86 D G < 0 0 61 -4,-1.9 -3,-0.1 -5,-0.1 -38,-0.1 0.823 360.0 360.0 93.8 53.4 -10.7 7.3 -2.3 83 87 D F 0 0 27 -5,-0.3 -74,-0.1 -40,-0.1 -78,-0.1 0.863 360.0 360.0 -65.9 360.0 -7.0 7.3 -3.1