==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-MAR-07 2P61 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM_1646; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA MSB8; . AUTHOR J.B.BONANNO,J.FREEMAN,K.T.BAIN,B.WU,S.OZYURT,D.SMITH,S.WASSE . 114 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 93.0 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 . 4 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 0 0 0 0 0 1 0 1 0 0 0 0 1 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 34 A E >> 0 0 219 0, 0.0 4,-0.9 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -41.8 -26.1 80.5 6.5 2 35 A F H 3> + 0 0 126 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.753 360.0 61.2 -76.1 -28.6 -23.8 80.0 3.6 3 36 A F H 3> S+ 0 0 147 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.352 99.3 57.1 -79.8 1.2 -20.9 79.9 6.0 4 37 A D H <> S+ 0 0 116 -3,-0.9 4,-0.7 2,-0.1 -2,-0.2 0.683 109.6 42.6 -99.1 -31.5 -22.6 76.9 7.5 5 38 A I H X S+ 0 0 116 -4,-0.9 4,-2.7 2,-0.2 3,-0.4 0.890 109.4 60.0 -74.3 -36.1 -22.5 75.1 4.2 6 39 A L H X S+ 0 0 61 -4,-2.5 4,-1.6 1,-0.3 -3,-0.2 0.925 104.5 48.1 -54.7 -50.6 -18.9 76.3 3.7 7 40 A E H X S+ 0 0 110 -4,-0.6 4,-2.2 2,-0.2 -1,-0.3 0.768 110.7 53.6 -57.8 -32.1 -17.7 74.5 6.8 8 41 A D H X S+ 0 0 77 -4,-0.7 4,-2.3 -3,-0.4 5,-0.2 0.895 109.0 47.0 -71.6 -43.0 -19.6 71.4 5.6 9 42 A V H X S+ 0 0 89 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.829 113.8 49.7 -63.3 -29.5 -17.8 71.5 2.3 10 43 A K H X S+ 0 0 122 -4,-1.6 4,-2.4 -5,-0.3 -2,-0.2 0.957 111.6 47.0 -75.6 -46.2 -14.5 72.0 4.2 11 44 A E H X S+ 0 0 124 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.875 115.2 45.8 -59.4 -47.2 -15.1 69.1 6.5 12 45 A D H X S+ 0 0 104 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.900 111.8 51.9 -70.4 -42.0 -16.1 66.8 3.7 13 46 A H H >X S+ 0 0 110 -4,-1.8 4,-2.1 -5,-0.2 3,-0.5 0.951 112.0 45.2 -52.3 -50.4 -13.2 67.8 1.6 14 47 A F H 3X S+ 0 0 43 -4,-2.4 4,-2.5 1,-0.3 -2,-0.2 0.924 110.1 55.7 -69.2 -43.3 -10.7 67.2 4.4 15 48 A E H 3X S+ 0 0 55 -4,-2.6 4,-1.9 2,-0.2 -1,-0.3 0.753 109.2 47.0 -49.3 -35.7 -12.4 63.8 5.1 16 49 A K H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 3,-0.5 0.898 111.9 49.2 -71.4 -46.7 -7.8 61.9 4.8 19 52 A E H >X S+ 0 0 90 -4,-1.9 4,-2.0 1,-0.2 3,-0.8 0.959 110.0 52.9 -48.7 -59.1 -9.5 58.7 3.6 20 53 A E H 3X S+ 0 0 79 -4,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.711 106.1 53.9 -49.7 -26.1 -7.5 58.8 0.4 21 54 A A H - 0 0 48 -2,-3.6 4,-1.0 -5,-0.2 5,-0.1 -0.283 55.1-117.8 -77.6 170.7 12.4 48.2 -4.1 38 71 A P H > S+ 0 0 98 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.833 116.7 57.7 -68.2 -36.8 13.9 51.5 -2.8 39 72 A S H > S+ 0 0 95 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.939 111.2 43.0 -64.6 -36.1 11.4 53.4 -4.9 40 73 A N H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.749 100.8 66.4 -80.0 -26.4 8.5 51.6 -3.1 41 74 A L H X S+ 0 0 15 -4,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.952 109.9 41.7 -62.7 -32.4 10.0 51.9 0.5 42 75 A K H X S+ 0 0 124 -4,-1.5 4,-3.4 2,-0.3 5,-0.4 0.803 101.8 60.3 -85.4 -33.1 9.4 55.6 -0.1 43 76 A R H X S+ 0 0 76 -4,-1.2 4,-2.3 3,-0.2 -1,-0.2 0.916 115.3 47.5 -48.8 -37.7 6.0 55.6 -1.7 44 77 A Y H X S+ 0 0 0 -4,-1.8 4,-2.6 -16,-0.2 -2,-0.3 0.946 113.5 39.5 -67.7 -62.1 5.5 54.0 1.7 45 78 A K H X S+ 0 0 58 -4,-2.2 4,-2.3 2,-0.2 -3,-0.2 0.888 118.9 50.7 -52.5 -48.6 7.3 56.4 4.1 46 79 A N H X S+ 0 0 82 -4,-3.4 4,-3.1 2,-0.2 5,-0.2 0.946 109.7 48.7 -57.4 -52.1 5.9 59.3 2.1 47 80 A A H X S+ 0 0 10 -4,-2.3 4,-3.1 -5,-0.4 -22,-0.2 0.904 112.7 47.6 -56.9 -44.5 2.3 58.0 2.2 48 81 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.878 110.5 54.1 -67.9 -36.1 2.6 57.5 5.9 49 82 A K H X S+ 0 0 128 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.946 111.0 44.6 -52.2 -56.6 4.1 61.0 6.2 50 83 A E H >X S+ 0 0 91 -4,-3.1 4,-1.7 1,-0.2 3,-0.6 0.954 110.3 55.5 -60.7 -45.0 1.2 62.5 4.4 51 84 A F H 3X S+ 0 0 0 -4,-3.1 4,-1.9 -5,-0.2 5,-0.2 0.949 106.0 51.9 -52.8 -44.8 -1.2 60.4 6.5 52 85 A L H 3X S+ 0 0 25 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.766 106.2 53.4 -68.0 -27.9 0.4 61.8 9.9 53 86 A K H 0 0 142 0, 0.0 4,-0.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -25.0 -5.7 65.5 25.8 65 103 A S H > + 0 0 75 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.880 360.0 50.0 -74.4 -44.2 -6.2 61.7 25.5 66 104 A G H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.945 112.3 46.4 -52.7 -51.7 -6.4 62.0 21.8 67 105 A R H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.735 110.5 55.0 -68.1 -25.3 -3.2 64.0 21.5 68 106 A A H X S+ 0 0 47 -4,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.912 107.8 46.0 -79.7 -44.9 -1.5 61.6 23.9 69 107 A R H >X S+ 0 0 136 -4,-2.4 4,-3.0 2,-0.2 3,-1.7 0.999 112.7 53.5 -55.4 -63.3 -2.3 58.5 21.8 70 108 A L H 3X S+ 0 0 7 -4,-2.1 4,-1.9 1,-0.3 5,-0.4 0.844 107.2 50.5 -29.8 -54.5 -1.1 60.4 18.7 71 109 A H H 3X S+ 0 0 119 -4,-2.0 4,-1.5 1,-0.2 -1,-0.3 0.902 117.2 39.4 -62.4 -31.8 2.2 61.3 20.3 72 110 A L H X S+ 0 0 0 -4,-3.7 3,-2.0 1,-0.2 4,-2.0 0.970 112.9 44.3 -53.9 -65.4 12.0 48.0 8.7 85 123 A T H 3X S+ 0 0 11 -4,-1.9 4,-2.2 1,-0.3 5,-0.2 0.876 108.9 57.8 -39.2 -51.6 14.5 50.3 6.8 86 124 A E H 3X S+ 0 0 100 -4,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.809 109.6 45.7 -58.2 -21.7 17.4 49.0 8.8 87 125 A K H <<>S+ 0 0 39 -3,-2.0 5,-2.7 -4,-0.9 -1,-0.2 0.829 108.9 51.2-103.2 -36.4 16.6 45.4 7.7 88 126 A I H ><5S+ 0 0 23 -4,-2.0 3,-1.0 3,-0.2 -1,-0.2 0.849 112.1 50.9 -54.8 -38.9 16.1 46.1 4.0 89 127 A M H 3<5S+ 0 0 141 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.1 0.951 107.9 49.6 -76.3 -42.2 19.5 47.8 4.1 90 128 A K T 3<5S- 0 0 121 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.351 111.6-125.2 -65.7 2.1 21.2 44.9 5.8 91 129 A N T < 5 + 0 0 112 -3,-1.0 2,-0.6 1,-0.2 3,-0.3 0.927 53.9 158.2 48.9 51.1 19.6 42.7 3.1 92 130 A E >>< + 0 0 65 -5,-2.7 4,-2.0 1,-0.2 3,-1.5 -0.269 5.5 151.8-102.4 55.2 18.1 40.5 5.8 93 131 A W T 34 + 0 0 101 -2,-0.6 4,-0.4 1,-0.3 5,-0.2 0.655 63.0 57.6 -60.7 -23.4 15.4 39.2 3.5 94 132 A Q T 34 S+ 0 0 196 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.563 118.8 26.9 -89.2 -9.4 15.0 35.8 5.3 95 133 A T T <4 S+ 0 0 87 -3,-1.5 -2,-0.2 -8,-0.1 -1,-0.1 0.469 95.0 95.7-115.3 -11.5 14.1 37.2 8.8 96 134 A I < - 0 0 5 -4,-2.0 -2,-0.1 -9,-0.1 -3,-0.1 0.876 64.7-161.1 -44.1 -56.2 12.7 40.5 7.8 97 135 A N > + 0 0 116 -4,-0.4 4,-2.0 3,-0.1 5,-0.2 0.938 18.0 175.7 64.1 53.4 9.1 39.2 7.8 98 136 A L H > + 0 0 15 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.799 67.2 54.7 -66.2 -41.5 8.0 42.1 5.6 99 137 A A H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.971 115.1 44.5 -56.0 -47.8 4.3 41.3 5.0 100 138 A A H > S+ 0 0 52 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.788 106.7 56.7 -72.6 -36.3 3.8 41.2 8.8 101 139 A R H X S+ 0 0 50 -4,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.849 112.1 47.2 -54.8 -35.7 5.9 44.3 9.6 102 140 A I H X S+ 0 0 3 -4,-1.7 4,-2.8 -3,-0.4 5,-0.3 0.871 106.4 52.1 -81.1 -34.6 3.4 46.0 7.2 103 141 A E H X S+ 0 0 140 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.957 112.9 50.4 -59.5 -41.2 0.2 44.6 8.7 104 142 A E H X S+ 0 0 92 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.931 111.4 43.9 -65.4 -46.8 1.4 45.9 12.0 105 143 A I H X S+ 0 0 1 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.941 116.5 48.0 -65.5 -45.8 2.3 49.4 10.8 106 144 A N H X S+ 0 0 15 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.904 105.5 60.6 -49.5 -40.1 -1.1 49.6 8.9 107 145 A G H X S+ 0 0 33 -4,-2.5 4,-1.6 -5,-0.3 -2,-0.2 0.962 108.5 43.7 -59.0 -44.3 -2.7 48.3 12.1 108 146 A L H X S+ 0 0 19 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.725 109.6 53.9 -73.4 -27.0 -1.4 51.4 13.8 109 147 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.2 -1,-0.2 0.933 108.0 51.3 -75.3 -40.0 -2.3 53.8 11.1 110 148 A L H X S+ 0 0 76 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.783 105.9 53.8 -66.6 -33.3 -5.9 52.5 11.2 111 149 A N H >< S+ 0 0 85 -4,-1.6 3,-1.7 -5,-0.3 -1,-0.2 0.998 110.3 49.6 -54.6 -58.6 -6.1 53.0 15.0 112 150 A L H >< S+ 0 0 2 -4,-1.8 3,-0.6 1,-0.3 -2,-0.2 0.835 106.2 55.4 -44.0 -45.7 -5.0 56.6 14.3 113 151 A Y H 3< S+ 0 0 76 -4,-2.1 2,-1.1 1,-0.3 -1,-0.3 0.844 100.8 58.8 -61.7 -31.6 -7.6 57.0 11.7 114 152 A R T << 0 0 204 -3,-1.7 -1,-0.3 -4,-1.2 -2,-0.1 -0.317 360.0 360.0 -91.0 53.4 -10.3 56.0 14.2 115 153 A E < 0 0 80 -2,-1.1 -3,-0.0 -3,-0.6 -49,-0.0 -0.916 360.0 360.0-172.6 360.0 -9.4 58.9 16.5