==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-JUN-06 2HFI . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YPPE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.LIU,K.K.SINGARAPU,D.PARISH,A.ELETSKY,D.XU,D.SUKUMARAN, . 123 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 78.9 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 . 8 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 68.3 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+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 1 0 1 0 1 1 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 M 0 0 229 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.5 -8.1 12.5 -19.3 2 2 A L + 0 0 163 2,-0.0 2,-0.4 121,-0.0 121,-0.0 -0.844 360.0 155.5-103.5 92.1 -8.8 14.3 -16.0 3 3 A S - 0 0 59 -2,-0.8 2,-1.3 4,-0.0 3,-0.2 -0.970 48.1-148.9-129.1 131.1 -6.9 12.1 -13.6 4 4 A Q > - 0 0 85 -2,-0.4 4,-3.3 1,-0.2 5,-0.3 -0.726 30.6-179.1 -90.2 82.1 -5.3 12.6 -10.3 5 5 A T H > S+ 0 0 100 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.919 74.0 41.6 -54.2 -59.0 -2.6 10.0 -11.0 6 6 A L H > S+ 0 0 28 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.816 118.3 49.5 -62.7 -30.1 -0.6 10.0 -7.7 7 7 A L H > S+ 0 0 30 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.944 110.5 48.2 -72.5 -47.9 -3.9 10.2 -5.7 8 8 A E H X S+ 0 0 129 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.872 108.7 55.3 -60.6 -39.6 -5.5 7.4 -7.6 9 9 A M H X S+ 0 0 42 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.919 111.2 44.6 -57.6 -44.0 -2.3 5.3 -7.1 10 10 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.944 111.8 51.4 -66.2 -49.4 -2.7 5.9 -3.4 11 11 A E H X S+ 0 0 100 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.879 110.7 50.7 -53.0 -41.2 -6.4 5.2 -3.4 12 12 A Q H X S+ 0 0 81 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.928 108.6 50.2 -63.2 -46.2 -5.6 2.0 -5.2 13 13 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.846 107.0 56.0 -63.1 -34.4 -3.0 1.0 -2.6 14 14 A I H X S+ 0 0 23 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.912 108.6 47.2 -62.0 -42.6 -5.6 1.7 0.1 15 15 A E H X S+ 0 0 91 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.908 110.8 51.0 -66.6 -43.1 -7.9 -0.8 -1.5 16 16 A V H X S+ 0 0 28 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.911 109.7 51.1 -61.4 -42.4 -5.2 -3.4 -1.9 17 17 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.951 114.3 42.4 -58.7 -51.4 -4.3 -3.0 1.8 18 18 A E H X S+ 0 0 90 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.829 112.5 55.6 -65.5 -32.9 -7.9 -3.5 2.9 19 19 A K H X S+ 0 0 100 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.927 110.6 44.2 -63.6 -45.7 -8.3 -6.3 0.3 20 20 A G H X S+ 0 0 5 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.899 116.0 47.2 -65.2 -41.1 -5.3 -8.1 1.9 21 21 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.902 115.0 46.2 -65.4 -42.1 -6.7 -7.4 5.4 22 22 A D H X S+ 0 0 88 -4,-2.9 4,-2.6 2,-0.2 5,-0.5 0.879 107.8 58.2 -66.2 -38.9 -10.1 -8.5 4.3 23 23 A R H X S+ 0 0 137 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.917 115.1 35.1 -57.5 -47.5 -8.7 -11.6 2.7 24 24 A Y H < S+ 0 0 47 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.817 112.9 62.7 -75.5 -33.7 -7.1 -12.7 5.9 25 25 A Q H < S+ 0 0 126 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.944 120.0 21.2 -57.7 -53.0 -10.0 -11.4 8.0 26 26 A E H >< S+ 0 0 77 -4,-2.6 3,-2.5 2,-0.1 2,-0.6 0.901 91.6 113.3 -82.9 -41.4 -12.6 -13.7 6.4 27 27 A G T 3< S+ 0 0 21 -4,-1.8 4,-0.1 -5,-0.5 -1,-0.1 -0.016 75.7 47.1 -44.9 85.1 -10.2 -16.4 5.1 28 28 A K T 3 S+ 0 0 190 -2,-0.6 -1,-0.3 2,-0.2 -2,-0.1 0.001 101.8 61.0 169.8 -34.2 -11.4 -19.2 7.4 29 29 A N S < S+ 0 0 137 -3,-2.5 2,-0.2 2,-0.1 -2,-0.1 0.947 103.0 48.5 -78.9 -54.2 -15.1 -19.0 7.1 30 30 A S S S- 0 0 54 -4,-0.2 2,-0.8 1,-0.1 -2,-0.2 -0.571 99.6 -99.4 -86.5 152.0 -15.4 -19.7 3.4 31 31 A N - 0 0 167 -2,-0.2 2,-0.8 -4,-0.1 -1,-0.1 -0.612 45.5-169.0 -69.2 107.5 -13.7 -22.5 1.6 32 32 A H + 0 0 91 -2,-0.8 2,-0.5 2,-0.0 -1,-0.1 -0.846 9.7 176.8-111.8 98.0 -10.7 -20.7 0.1 33 33 A S + 0 0 123 -2,-0.8 2,-0.3 2,-0.0 -2,-0.0 -0.890 13.2 151.7-102.7 123.8 -8.7 -22.7 -2.4 34 34 A Y - 0 0 107 -2,-0.5 2,-0.4 4,-0.0 -2,-0.0 -0.974 33.9-136.2-145.8 159.1 -5.8 -21.0 -4.2 35 35 A D - 0 0 78 -2,-0.3 2,-1.8 0, 0.0 5,-0.4 -0.966 19.8-129.2-120.9 136.2 -2.5 -22.0 -5.7 36 36 A F S S+ 0 0 121 -2,-0.4 -2,-0.0 1,-0.2 55,-0.0 -0.564 95.2 40.7 -84.9 75.5 0.7 -20.1 -5.2 37 37 A F S > S+ 0 0 154 -2,-1.8 4,-1.1 0, 0.0 -1,-0.2 0.024 99.0 58.5-173.3 -52.8 1.8 -19.6 -8.8 38 38 A E T 4 S+ 0 0 143 1,-0.2 3,-0.2 2,-0.2 -2,-0.1 0.989 120.4 13.3 -64.2 -73.8 -1.0 -18.8 -11.2 39 39 A T T > S+ 0 0 91 -4,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.654 126.5 57.8 -83.0 -14.3 -2.7 -15.5 -10.1 40 40 A I H > S+ 0 0 14 -5,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.770 90.3 70.5 -89.8 -24.9 0.0 -14.6 -7.6 41 41 A K H X S+ 0 0 119 -4,-1.1 4,-1.1 1,-0.2 3,-0.2 0.954 109.7 32.4 -56.6 -55.0 2.9 -14.5 -10.1 42 42 A P H > S+ 0 0 66 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.864 111.9 65.8 -69.4 -34.5 1.6 -11.3 -11.9 43 43 A A H X S+ 0 0 28 -4,-0.9 4,-2.0 1,-0.2 5,-0.2 0.858 100.6 50.1 -57.3 -39.0 0.2 -9.9 -8.6 44 44 A V H X S+ 0 0 66 -4,-2.0 4,-2.9 -3,-0.2 -1,-0.2 0.936 110.5 49.7 -63.7 -45.9 3.7 -9.7 -7.1 45 45 A E H X S+ 0 0 89 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.903 109.4 51.7 -60.9 -45.1 5.0 -7.8 -10.2 46 46 A E H X S+ 0 0 130 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.962 115.6 39.5 -55.6 -57.2 2.1 -5.3 -10.1 47 47 A N H X S+ 0 0 16 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.868 113.8 56.0 -63.0 -39.0 2.6 -4.4 -6.5 48 48 A D H X S+ 0 0 69 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.942 115.4 37.1 -58.3 -50.1 6.4 -4.5 -6.9 49 49 A E H X S+ 0 0 126 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.887 116.1 55.9 -66.8 -40.5 6.2 -1.9 -9.7 50 50 A L H X S+ 0 0 46 -4,-3.0 4,-3.0 -5,-0.3 -2,-0.2 0.945 109.7 43.2 -58.2 -53.8 3.3 -0.1 -8.0 51 51 A A H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.897 114.7 50.6 -62.2 -42.0 5.2 0.5 -4.8 52 52 A A H X S+ 0 0 48 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.899 115.0 43.1 -62.9 -41.7 8.4 1.5 -6.6 53 53 A R H X S+ 0 0 184 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.898 114.2 50.2 -71.8 -42.6 6.5 4.0 -8.8 54 54 A W H X S+ 0 0 0 -4,-3.0 4,-3.4 -5,-0.2 5,-0.3 0.929 109.1 51.4 -62.2 -47.6 4.5 5.4 -5.9 55 55 A A H X S+ 0 0 15 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.918 108.9 51.7 -55.8 -46.5 7.5 5.9 -3.7 56 56 A E H X S+ 0 0 127 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.911 115.3 41.4 -57.8 -45.8 9.3 7.8 -6.5 57 57 A G H X S+ 0 0 25 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 115.8 48.3 -70.3 -44.4 6.3 10.1 -7.0 58 58 A A H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.906 110.4 52.0 -62.7 -43.0 5.6 10.6 -3.3 59 59 A L H X S+ 0 0 68 -4,-3.0 4,-0.8 -5,-0.3 -1,-0.2 0.861 111.0 48.8 -61.2 -36.4 9.2 11.3 -2.6 60 60 A E H >X S+ 0 0 104 -4,-1.4 4,-2.5 -5,-0.3 3,-0.5 0.940 110.2 50.9 -67.4 -46.9 9.1 13.9 -5.4 61 61 A L H 3X S+ 0 0 30 -4,-2.6 4,-3.4 1,-0.3 -2,-0.2 0.908 109.9 47.9 -59.6 -46.6 5.9 15.5 -4.0 62 62 A I H 3< S+ 0 0 14 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.694 112.0 52.3 -71.6 -17.6 7.2 15.9 -0.4 63 63 A K H << S+ 0 0 127 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.864 114.1 41.3 -81.1 -40.7 10.4 17.4 -1.9 64 64 A V H < S+ 0 0 89 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.959 137.0 12.9 -68.5 -52.4 8.4 19.9 -3.9 65 65 A R S < S- 0 0 127 -4,-3.4 -3,-0.2 -5,-0.2 -4,-0.0 0.731 102.9-100.8 -87.3-106.1 5.9 20.7 -1.1 66 66 A R - 0 0 148 -5,-0.1 2,-0.8 50,-0.1 -3,-0.1 -0.606 23.9-106.7 172.9 123.7 6.8 19.4 2.4 67 67 A P + 0 0 41 0, 0.0 5,-0.1 0, 0.0 46,-0.1 -0.462 49.1 158.8 -63.4 103.0 5.6 16.3 4.4 68 68 A K S S+ 0 0 145 -2,-0.8 44,-0.0 44,-0.1 -6,-0.0 0.900 77.6 10.3 -93.2 -53.3 3.3 17.9 7.0 69 69 A Y S S+ 0 0 135 43,-0.2 2,-0.1 40,-0.0 44,-0.1 0.808 120.0 71.2 -96.9 -38.0 1.1 15.1 8.1 70 70 A V S S- 0 0 7 42,-0.3 2,-0.5 41,-0.1 3,-0.1 -0.456 77.9-132.1 -79.3 152.3 2.9 12.2 6.5 71 71 A H > - 0 0 109 1,-0.1 4,-1.8 -2,-0.1 3,-0.3 -0.916 7.2-140.0-107.7 132.4 6.3 11.0 7.7 72 72 A K H > S+ 0 0 103 -2,-0.5 4,-2.2 1,-0.3 3,-0.4 0.925 105.3 51.1 -58.2 -48.9 9.1 10.5 5.2 73 73 A E H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.861 107.7 55.7 -52.5 -37.5 10.4 7.4 6.9 74 74 A Q H > S+ 0 0 50 -3,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.871 105.2 50.5 -67.5 -37.4 6.8 6.1 6.8 75 75 A I H X S+ 0 0 0 -4,-1.8 4,-1.7 -3,-0.4 -2,-0.2 0.933 114.2 44.3 -63.3 -45.3 6.6 6.6 3.0 76 76 A E H X S+ 0 0 91 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.852 117.3 46.9 -66.7 -34.9 9.8 4.6 2.6 77 77 A A H X S+ 0 0 24 -4,-2.5 4,-3.6 -5,-0.2 5,-0.3 0.922 107.6 53.8 -73.8 -46.8 8.6 2.0 5.1 78 78 A V H X S+ 0 0 1 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.882 104.3 57.2 -58.0 -40.4 5.1 1.6 3.6 79 79 A K H X S+ 0 0 68 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.933 117.4 33.0 -54.0 -49.1 6.6 0.9 0.2 80 80 A D H X S+ 0 0 82 -4,-1.1 4,-1.6 2,-0.2 3,-0.3 0.921 119.5 50.0 -76.4 -45.9 8.6 -2.0 1.7 81 81 A N H X S+ 0 0 48 -4,-3.6 4,-2.2 1,-0.2 -3,-0.2 0.818 104.8 60.3 -64.2 -31.6 6.1 -3.1 4.3 82 82 A F H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.889 103.0 51.2 -64.6 -39.1 3.3 -3.2 1.7 83 83 A L H X S+ 0 0 40 -4,-0.9 4,-2.0 -3,-0.3 -1,-0.2 0.915 113.5 43.7 -64.8 -43.0 5.2 -5.8 -0.3 84 84 A E H X S+ 0 0 88 -4,-1.6 4,-3.2 2,-0.2 5,-0.2 0.814 109.8 59.2 -70.4 -30.5 5.6 -8.0 2.8 85 85 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.963 108.2 43.2 -60.3 -53.2 1.9 -7.3 3.6 86 86 A V H X S+ 0 0 20 -4,-2.5 4,-1.4 2,-0.2 5,-0.2 0.910 116.4 50.0 -59.0 -43.1 0.7 -8.7 0.3 87 87 A L H >X S+ 0 0 80 -4,-2.0 4,-2.7 1,-0.2 3,-0.7 0.976 113.1 42.9 -58.9 -58.9 3.2 -11.6 0.7 88 88 A Q H 3X S+ 0 0 26 -4,-3.2 4,-1.5 1,-0.2 6,-0.7 0.767 106.7 64.9 -62.8 -27.4 2.2 -12.5 4.3 89 89 A S H 3< S+ 0 0 2 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.918 115.0 27.2 -61.7 -44.2 -1.5 -12.1 3.4 90 90 A Y H << S+ 0 0 52 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.859 124.4 46.4 -90.4 -38.0 -1.5 -15.0 1.0 91 91 A V H < S- 0 0 58 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.672 95.1-139.8 -81.3 -16.1 1.3 -17.2 2.4 92 92 A H < + 0 0 78 -4,-1.5 -3,-0.1 -5,-0.3 -4,-0.1 0.745 58.0 137.4 65.3 26.6 -0.1 -16.8 5.9 93 93 A H + 0 0 157 -5,-0.2 2,-0.2 -6,-0.2 -1,-0.1 0.628 50.1 87.9 -76.3 -12.7 3.4 -16.4 7.4 94 94 A I - 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