==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 19-OCT-04 1XSD . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.K.SAFO,T.-P.KO,F.N.MUSAYEV,Q.ZHAO,H.ROBINSON,N.SCARSDALE, . 125 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 72.8 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 . 9 7.2 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 . 1 0.8 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 . 4 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 50.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 0 0 1 2 0 0 1 0 1 0 1 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 1 0 0 1 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 1 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 T 0 0 195 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.4 14.0 20.2 46.1 2 3 A N - 0 0 134 1,-0.0 2,-0.1 3,-0.0 3,-0.1 -0.779 360.0-136.5-146.8-168.4 11.5 17.5 46.8 3 4 A K + 0 0 181 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 -0.324 53.5 13.7-129.6-144.5 10.9 13.8 45.9 4 5 A Q - 0 0 153 -2,-0.1 2,-0.6 1,-0.1 -1,-0.3 -0.020 55.8-143.1 -38.8 119.9 8.5 11.1 44.9 5 6 A V - 0 0 55 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.862 28.3-158.0 -92.5 125.4 5.2 12.5 43.6 6 7 A E + 0 0 89 -2,-0.6 2,-0.3 48,-0.1 50,-0.1 -0.868 30.0 171.7-116.9 143.5 2.6 10.1 44.8 7 8 A I - 0 0 11 -2,-0.4 5,-0.2 70,-0.1 -2,-0.0 -0.810 29.3-139.8-145.4 95.9 -0.9 9.2 43.8 8 9 A S >> - 0 0 44 -2,-0.3 3,-1.4 1,-0.1 4,-1.0 -0.094 32.0-103.5 -50.7 157.2 -2.3 6.1 45.6 9 10 A M T 34 S+ 0 0 153 1,-0.3 3,-0.5 2,-0.2 4,-0.4 0.889 124.3 47.3 -55.4 -38.2 -4.3 3.8 43.4 10 11 A A T 34 S+ 0 0 50 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.654 102.0 66.7 -79.6 -12.3 -7.5 5.1 44.9 11 12 A E T X> S+ 0 0 6 -3,-1.4 4,-2.6 1,-0.2 3,-1.4 0.773 81.0 74.2 -78.4 -29.3 -6.4 8.7 44.5 12 13 A W H 3X S+ 0 0 30 -4,-1.0 4,-3.4 -3,-0.5 5,-0.3 0.858 88.6 63.1 -54.2 -34.6 -6.4 8.7 40.7 13 14 A D H 3> S+ 0 0 48 -4,-0.4 4,-0.8 -3,-0.3 -1,-0.3 0.880 108.0 41.9 -61.3 -32.1 -10.2 8.8 40.9 14 15 A V H X> S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.3 3,-0.6 0.964 116.2 47.3 -77.1 -52.3 -10.0 12.1 42.5 15 16 A M H 3X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.3 5,-0.4 0.923 105.7 58.0 -56.9 -44.5 -7.2 13.5 40.4 16 17 A N H 3X S+ 0 0 49 -4,-3.4 4,-1.6 1,-0.2 -1,-0.3 0.903 110.0 46.6 -56.1 -33.8 -8.9 12.4 37.1 17 18 A I H > -A 67 0A 10 -2,-0.3 4,-2.3 42,-0.3 3,-0.8 -0.723 32.6-117.5 -98.5 146.5 -15.1 21.6 45.0 26 27 A A H 3> S+ 0 0 5 40,-0.6 4,-3.2 -2,-0.3 5,-0.2 0.910 117.6 56.8 -47.0 -47.3 -14.7 18.6 47.2 27 28 A N H 3> S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.891 106.8 49.5 -53.2 -41.5 -18.5 18.2 47.0 28 29 A E H <> S+ 0 0 64 -3,-0.8 4,-2.9 2,-0.2 5,-0.2 0.971 109.5 48.9 -61.6 -56.1 -18.3 18.1 43.3 29 30 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.930 111.4 54.7 -49.4 -46.6 -15.6 15.5 43.2 30 31 A V H X S+ 0 0 2 -4,-3.2 4,-1.5 -5,-0.3 -1,-0.2 0.874 110.2 41.5 -60.0 -42.5 -17.7 13.6 45.7 31 32 A V H X S+ 0 0 71 -4,-2.2 4,-1.5 -3,-0.2 -1,-0.2 0.948 113.3 54.4 -70.6 -45.2 -20.8 13.5 43.6 32 33 A E H >< S+ 0 0 47 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.911 111.1 45.0 -52.4 -51.0 -18.9 12.8 40.3 33 34 A I H >< S+ 0 0 5 -4,-2.6 3,-1.0 1,-0.2 4,-0.3 0.817 106.9 58.1 -66.9 -30.8 -17.2 9.7 41.8 34 35 A Q H >< S+ 0 0 88 -4,-1.5 3,-1.2 -5,-0.3 -1,-0.2 0.822 84.9 81.9 -70.1 -24.3 -20.4 8.4 43.4 35 36 A K T << S+ 0 0 155 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.1 0.344 110.8 20.8 -58.7 7.9 -21.9 8.3 39.9 36 37 A Y T < S+ 0 0 129 -3,-1.0 2,-0.3 1,-0.4 -1,-0.3 0.367 125.4 26.9-160.2 6.8 -20.1 5.0 39.5 37 38 A K S < S- 0 0 85 -3,-1.2 2,-1.2 -4,-0.3 -1,-0.4 -0.931 74.9 -99.0-173.6 150.9 -19.3 3.5 42.9 38 39 A E + 0 0 186 -2,-0.3 2,-0.4 -3,-0.1 -4,-0.1 -0.604 58.4 143.5 -78.5 95.7 -20.2 3.3 46.5 39 40 A V - 0 0 28 -2,-1.2 2,-0.2 -9,-0.1 -2,-0.1 -0.999 45.1-120.8-136.9 139.8 -17.9 5.7 48.4 40 41 A S > - 0 0 55 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.480 21.6-121.2 -77.6 147.6 -18.6 7.9 51.4 41 42 A D H > S+ 0 0 50 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.889 114.3 52.2 -52.2 -46.3 -18.1 11.7 51.3 42 43 A K H > S+ 0 0 152 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 105.8 53.0 -58.8 -49.8 -15.6 11.4 54.2 43 44 A T H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.930 111.0 45.9 -52.2 -50.8 -13.5 8.8 52.4 44 45 A I H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.852 110.5 54.5 -61.0 -36.5 -13.2 10.9 49.3 45 46 A R H X S+ 0 0 84 -4,-2.0 4,-3.6 1,-0.2 -1,-0.2 0.827 103.1 55.9 -69.9 -29.2 -12.4 14.0 51.3 46 47 A T H X S+ 0 0 62 -4,-2.1 4,-3.5 -3,-0.3 -1,-0.2 0.932 108.5 47.7 -65.0 -45.0 -9.6 12.1 53.0 47 48 A L H X S+ 0 0 21 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.935 112.7 49.4 -58.4 -47.6 -8.1 11.4 49.6 48 49 A I H X S+ 0 0 2 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.973 112.5 47.1 -54.9 -57.9 -8.6 15.1 48.7 49 50 A T H X S+ 0 0 59 -4,-3.6 4,-2.1 1,-0.2 -2,-0.2 0.904 112.5 50.0 -52.8 -48.1 -6.9 16.2 52.0 50 51 A R H X S+ 0 0 143 -4,-3.5 4,-1.8 2,-0.2 -1,-0.2 0.908 111.1 47.9 -58.8 -41.8 -4.0 13.7 51.4 51 52 A L H <>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 6,-0.6 0.960 110.7 52.5 -63.9 -46.1 -3.5 15.0 47.9 52 53 A Y H ><5S+ 0 0 70 -4,-3.1 3,-0.5 1,-0.2 -1,-0.2 0.851 110.1 48.8 -55.8 -36.8 -3.5 18.5 49.1 53 54 A K H 3<5S+ 0 0 158 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.803 108.2 50.9 -76.9 -28.8 -0.9 17.7 51.7 54 55 A K T 3<5S- 0 0 75 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.453 115.8-123.2 -84.0 -1.7 1.4 16.0 49.3 55 56 A E T < 5S+ 0 0 104 -3,-0.5 -3,-0.2 -4,-0.4 -2,-0.1 0.747 74.2 130.6 66.4 28.8 0.9 19.2 47.3 56 57 A I S - 0 0 143 -2,-0.3 4,-2.0 1,-0.2 5,-0.3 -0.623 26.4-154.4 -71.3 118.8 1.3 17.9 34.9 74 75 A E H > S+ 0 0 62 -2,-0.6 4,-2.6 1,-0.2 3,-0.4 0.963 93.1 52.2 -55.6 -58.9 -1.2 15.1 34.2 75 76 A D H > S+ 0 0 134 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.830 112.2 50.1 -50.2 -32.3 0.7 13.8 31.1 76 77 A D H > S+ 0 0 87 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 111.4 41.3 -77.5 -40.5 3.8 13.6 33.2 77 78 A I H X S+ 0 0 10 -4,-2.0 4,-1.8 -3,-0.4 -2,-0.2 0.858 116.3 50.1 -76.7 -33.7 2.6 11.7 36.3 78 79 A K H X S+ 0 0 73 -4,-2.6 4,-3.2 -5,-0.3 5,-0.2 0.965 111.5 49.4 -67.6 -42.6 0.6 9.3 34.2 79 80 A M H X S+ 0 0 103 -4,-1.5 4,-2.4 -5,-0.4 5,-0.2 0.909 110.1 50.1 -61.9 -42.9 3.6 8.6 31.9 80 81 A K H X S+ 0 0 127 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.892 112.2 48.6 -63.5 -36.2 5.9 8.1 34.9 81 82 A T H X S+ 0 0 53 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.962 110.0 51.5 -68.2 -48.1 3.3 5.6 36.3 82 83 A A H X S+ 0 0 42 -4,-3.2 4,-3.4 2,-0.2 5,-0.2 0.855 107.1 51.6 -56.8 -43.1 3.0 3.8 33.0 83 84 A K H X S+ 0 0 130 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.955 111.0 50.1 -61.5 -41.9 6.8 3.3 32.6 84 85 A T H X S+ 0 0 73 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.925 113.6 45.0 -57.5 -47.4 6.8 1.8 36.1 85 86 A F H X S+ 0 0 88 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.942 113.1 49.3 -60.7 -53.8 4.0 -0.4 35.3 86 87 A L H X S+ 0 0 18 -4,-3.4 4,-2.6 1,-0.2 6,-1.6 0.863 111.0 50.7 -57.8 -38.4 5.5 -1.5 31.9 87 88 A N H X S+ 0 0 97 -4,-3.0 4,-1.3 4,-0.3 -1,-0.2 0.924 114.7 43.3 -65.8 -43.9 8.9 -2.3 33.5 88 89 A K H < S+ 0 0 175 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.922 126.4 30.0 -70.5 -44.4 7.3 -4.4 36.1 89 90 A L H < S+ 0 0 102 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.698 140.4 11.1 -94.4 -13.1 4.9 -6.2 33.9 90 91 A Y H < S- 0 0 42 -4,-2.6 -3,-0.2 -5,-0.3 6,-0.2 0.232 98.1-102.6-147.7 20.9 6.7 -6.3 30.6 91 92 A G S < S- 0 0 63 -4,-1.3 -4,-0.3 1,-0.2 -3,-0.1 0.958 83.3 -63.1 52.0 48.9 10.3 -5.2 31.0 92 93 A G S S+ 0 0 38 -6,-1.6 2,-0.4 -9,-0.2 -1,-0.2 0.885 97.3 139.6 39.5 66.1 9.1 -1.9 29.6 93 94 A D > - 0 0 50 -7,-0.4 4,-1.6 1,-0.1 5,-0.2 -0.857 38.0-166.3-138.5 100.7 8.1 -3.1 26.1 94 95 A M H > S+ 0 0 126 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.863 94.6 56.9 -52.2 -35.4 4.9 -1.7 24.7 95 96 A K H > S+ 0 0 142 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.990 104.2 49.7 -58.5 -57.2 5.1 -4.5 22.1 96 97 A S H > S+ 0 0 52 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.754 116.5 43.6 -52.7 -28.6 5.1 -7.1 24.8 97 98 A L H X S+ 0 0 20 -4,-1.6 4,-1.3 2,-0.2 -1,-0.3 0.788 113.3 48.5 -87.8 -33.5 2.1 -5.4 26.4 98 99 A V H X S+ 0 0 59 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.859 113.4 49.9 -75.7 -28.2 0.2 -4.8 23.2 99 100 A L H X S+ 0 0 111 -4,-3.7 4,-2.3 -5,-0.3 -2,-0.2 0.875 105.7 54.1 -74.5 -35.3 0.8 -8.4 22.3 100 101 A N H X S+ 0 0 52 -4,-1.0 4,-2.0 -5,-0.3 -1,-0.2 0.825 109.5 54.1 -65.7 -28.4 -0.4 -9.7 25.7 101 102 A F H <>S+ 0 0 77 -4,-1.3 5,-2.1 2,-0.2 6,-0.3 0.984 109.5 41.2 -69.6 -58.8 -3.6 -7.7 24.9 102 103 A A H ><5S+ 0 0 43 -4,-2.1 3,-2.8 3,-0.2 5,-0.4 0.979 115.3 54.8 -51.5 -57.6 -4.3 -9.2 21.5 103 104 A K H 3<5S+ 0 0 139 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.892 107.4 45.5 -39.4 -72.7 -3.4 -12.7 22.9 104 105 A N T 3<5S- 0 0 94 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.462 117.2-118.5 -56.3 1.8 -5.8 -12.7 25.9 105 106 A E T < 5 + 0 0 168 -3,-2.8 -3,-0.2 -4,-0.3 -2,-0.2 0.935 68.9 142.3 58.6 52.8 -8.4 -11.3 23.4 106 107 A E < + 0 0 120 -5,-2.1 2,-0.4 1,-0.1 -4,-0.2 0.170 61.0 63.2-102.9 10.5 -9.0 -8.1 25.1 107 108 A L - 0 0 45 -5,-0.4 2,-0.3 -6,-0.3 -1,-0.1 -0.962 69.3-149.2-143.5 123.8 -9.2 -6.4 21.7 108 109 A N >> - 0 0 103 -2,-0.4 4,-2.8 1,-0.1 3,-1.0 -0.663 37.5-107.5 -86.6 146.1 -11.6 -6.9 18.9 109 110 A N H 3> S+ 0 0 104 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.708 120.3 63.3 -45.2 -25.0 -10.3 -6.3 15.3 110 111 A K H 3> S+ 0 0 148 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.984 112.2 33.7 -65.9 -52.8 -12.3 -3.1 15.3 111 112 A E H <> S+ 0 0 93 -3,-1.0 4,-2.7 1,-0.2 -2,-0.2 0.852 116.0 59.2 -68.6 -32.1 -10.2 -1.7 18.1 112 113 A I H X S+ 0 0 65 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.882 111.0 41.2 -62.5 -38.5 -7.2 -3.6 16.7 113 114 A E H X S+ 0 0 78 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.910 111.2 54.2 -76.7 -43.8 -7.6 -1.6 13.5 114 115 A E H X S+ 0 0 118 -4,-2.7 4,-1.4 2,-0.2 5,-0.3 0.923 114.4 44.9 -54.7 -44.2 -8.4 1.8 15.2 115 116 A L H X S+ 0 0 73 -4,-2.7 4,-3.0 1,-0.2 5,-0.4 0.998 110.8 49.2 -60.2 -68.9 -5.2 1.3 17.0 116 117 A R H X S+ 0 0 128 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.797 114.4 54.0 -37.8 -35.2 -3.2 0.1 14.0 117 118 A D H >X S+ 0 0 79 -4,-2.8 3,-3.4 2,-0.2 4,-2.3 0.911 110.9 36.4 -64.2 -96.1 -4.7 3.2 12.5 118 119 A I H 3X S+ 0 0 88 -4,-1.4 4,-0.9 1,-0.3 -2,-0.2 0.709 121.3 52.0 -21.1 -44.9 -3.8 6.0 15.0 119 120 A L H 3X S+ 0 0 102 -4,-3.0 4,-1.3 -5,-0.3 -1,-0.3 0.843 109.5 45.7 -68.5 -39.8 -0.4 4.2 15.5 120 121 A N H