==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-MAR-09 3GK5 . COMPND 2 MOLECULE: UNCHARACTERIZED RHODANESE-RELATED PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA VOLCANIUM GSS1; . AUTHOR F.FOROUHAR,M.SU,J.SEETHARAMAN,L.MAO,R.XIAO,E.L.FOOTE, . 100 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.0 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 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 101 A Y 0 0 139 0, 0.0 2,-0.3 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 119.1 41.0 11.2 -12.2 2 102 A R - 0 0 96 78,-0.4 80,-2.3 2,-0.0 2,-0.3 -0.888 360.0-154.7-127.5 159.1 44.0 8.8 -12.2 3 103 A S E -a 82 0A 50 -2,-0.3 2,-0.4 78,-0.2 80,-0.2 -0.913 2.2-154.7-133.1 159.5 44.4 5.2 -11.2 4 104 A I E -a 83 0A 8 78,-2.8 80,-1.5 -2,-0.3 77,-0.0 -0.983 15.9-126.1-144.1 130.7 47.3 3.0 -10.0 5 105 A N > - 0 0 64 -2,-0.4 4,-2.4 78,-0.2 5,-0.1 -0.190 27.2-118.1 -64.4 158.6 48.1 -0.7 -10.1 6 106 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.948 116.2 49.4 -64.5 -49.6 49.0 -2.6 -6.8 7 107 A A H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 111.1 52.0 -56.7 -40.1 52.4 -3.5 -8.1 8 108 A D H > S+ 0 0 75 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.955 109.7 47.6 -61.2 -53.0 52.9 0.1 -9.1 9 109 A L H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 6,-0.2 0.934 112.6 48.6 -54.2 -51.4 52.0 1.4 -5.7 10 110 A Y H >< S+ 0 0 105 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.879 109.4 52.2 -58.8 -40.7 54.2 -1.0 -3.9 11 111 A E H 3< S+ 0 0 131 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.734 122.7 31.1 -68.2 -22.6 57.2 -0.3 -6.1 12 112 A N T XX S+ 0 0 79 -4,-1.3 3,-3.0 -3,-0.8 4,-0.9 0.110 79.6 133.9-120.8 19.5 56.8 3.4 -5.4 13 113 A I T <4 S+ 0 0 65 -3,-0.9 3,-0.4 1,-0.3 5,-0.2 0.739 71.7 53.5 -41.4 -36.0 55.4 3.0 -1.9 14 114 A K T 34 S+ 0 0 201 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.733 103.1 57.6 -76.6 -21.3 57.7 5.7 -0.5 15 115 A A T <4 S+ 0 0 64 -3,-3.0 40,-0.4 -6,-0.2 2,-0.2 0.679 106.6 57.4 -81.6 -16.7 56.5 8.2 -3.2 16 116 A Y < - 0 0 40 -4,-0.9 2,-0.5 -3,-0.4 40,-0.2 -0.705 66.8-144.8-113.7 166.8 52.9 7.9 -2.0 17 117 A T E -b 56 0A 44 38,-1.6 40,-1.2 -2,-0.2 2,-0.1 -0.924 30.7-133.3-129.1 98.3 50.9 8.3 1.2 18 118 A V E -b 57 0A 7 -2,-0.5 18,-1.8 15,-0.3 2,-0.6 -0.334 15.4-158.7 -58.9 125.7 48.2 5.7 1.3 19 119 A L E -bc 58 36A 0 38,-2.8 40,-2.7 16,-0.2 2,-0.8 -0.933 4.1-158.6-109.1 112.7 44.8 7.1 2.3 20 120 A D E -bc 59 37A 0 16,-3.0 18,-2.4 -2,-0.6 40,-0.2 -0.825 12.3-179.5 -96.1 111.6 42.5 4.4 3.6 21 121 A V + 0 0 0 38,-1.8 19,-1.8 -2,-0.8 20,-0.2 0.182 45.1 110.9 -96.2 16.2 38.9 5.5 3.3 22 122 A R S S- 0 0 16 17,-0.2 5,-0.1 37,-0.2 -2,-0.0 -0.330 81.1 -83.6 -83.0 168.9 37.4 2.3 4.8 23 123 A E >> - 0 0 48 1,-0.1 3,-2.1 16,-0.1 4,-0.6 -0.465 42.2-111.2 -73.6 147.4 35.6 2.2 8.1 24 124 A P H >> S+ 0 0 74 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.771 114.0 61.0 -48.8 -36.0 37.9 1.8 11.2 25 125 A F H 34 S+ 0 0 136 1,-0.2 3,-0.2 2,-0.2 4,-0.2 0.683 97.7 61.6 -69.2 -16.2 36.8 -1.7 12.0 26 126 A E H X4 S+ 0 0 32 -3,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.751 94.2 60.5 -80.9 -25.6 38.0 -2.8 8.6 27 127 A L H X< S+ 0 0 22 -3,-0.9 3,-2.0 -4,-0.6 -1,-0.2 0.710 85.5 74.6 -76.4 -18.7 41.6 -1.9 9.3 28 128 A I T 3< S+ 0 0 97 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.722 93.5 57.0 -66.6 -15.6 42.0 -4.3 12.2 29 129 A F T < S- 0 0 166 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.462 130.4 -54.0 -92.9 -0.1 42.1 -7.0 9.6 30 130 A G < - 0 0 4 -3,-2.0 -1,-0.3 69,-0.1 2,-0.3 -0.264 55.5-174.6 134.2 137.4 45.0 -5.5 7.8 31 131 A S B -E 98 0B 5 67,-1.3 67,-3.3 -3,-0.1 2,-0.2 -0.988 37.3 -90.4-154.3 157.3 46.2 -2.2 6.3 32 132 A I > - 0 0 5 -2,-0.3 3,-1.6 65,-0.2 65,-0.1 -0.513 61.0 -91.3 -71.6 139.4 49.0 -0.8 4.3 33 133 A A T 3 S+ 0 0 45 63,-0.3 -15,-0.3 1,-0.3 -1,-0.1 -0.162 102.9 3.2 -55.5 140.4 51.7 0.6 6.6 34 134 A N T 3 S+ 0 0 163 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.625 88.3 152.9 59.3 16.6 51.6 4.3 7.6 35 135 A S < - 0 0 17 -3,-1.6 2,-0.3 -18,-0.1 -1,-0.2 -0.632 43.8-130.0 -78.9 128.5 48.3 4.7 5.7 36 136 A I E -c 19 0A 79 -18,-1.8 -16,-3.0 -2,-0.4 2,-0.6 -0.610 20.3-134.0 -77.2 138.5 46.2 7.5 7.1 37 137 A N E +c 20 0A 47 -2,-0.3 -16,-0.2 -18,-0.2 -18,-0.1 -0.848 35.4 157.9-103.2 115.7 42.6 6.4 7.8 38 138 A I - 0 0 9 -18,-2.4 5,-0.1 -2,-0.6 -15,-0.1 -0.893 31.5-142.7-134.5 102.7 39.7 8.7 6.8 39 139 A P >> - 0 0 4 0, 0.0 3,-2.6 0, 0.0 4,-1.7 -0.361 24.1-117.8 -63.2 144.8 36.4 6.9 6.4 40 140 A I H 3> S+ 0 0 64 -19,-1.8 4,-0.6 1,-0.3 -18,-0.1 0.671 114.4 66.5 -57.0 -17.7 34.3 8.2 3.4 41 141 A S H 34 S+ 0 0 83 -20,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.478 114.0 29.2 -83.3 -1.3 31.7 9.3 6.0 42 142 A E H X> S+ 0 0 68 -3,-2.6 4,-2.7 -21,-0.1 3,-0.6 0.501 94.9 91.3-128.3 -17.9 34.2 11.8 7.4 43 143 A L H 3X S+ 0 0 7 -4,-1.7 4,-0.8 1,-0.3 -3,-0.1 0.856 85.1 56.1 -49.8 -42.8 36.2 12.6 4.2 44 144 A R H 3< S+ 0 0 143 -4,-0.6 3,-0.3 1,-0.2 -1,-0.3 0.912 117.6 33.0 -58.3 -43.9 33.8 15.5 3.4 45 145 A E H <4 S+ 0 0 123 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.705 127.9 36.7 -87.6 -21.6 34.4 17.1 6.8 46 146 A K H >< S+ 0 0 92 -4,-2.7 3,-0.7 1,-0.1 -2,-0.2 0.084 78.5 101.6-122.5 28.5 38.0 16.1 7.4 47 147 A W G >< + 0 0 63 -4,-0.8 3,-1.6 -3,-0.3 -1,-0.1 0.605 69.0 77.6 -82.8 -11.7 39.7 16.2 4.0 48 148 A K G 3 S+ 0 0 154 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.713 80.0 70.0 -68.4 -19.8 41.2 19.6 5.0 49 149 A I G < S+ 0 0 107 -3,-0.7 -1,-0.3 2,-0.1 2,-0.2 0.583 79.5 104.8 -74.2 -9.2 43.7 17.6 7.0 50 150 A L S < S- 0 0 18 -3,-1.6 2,-0.2 1,-0.1 -3,-0.0 -0.536 74.7-121.7 -78.4 137.3 45.3 16.4 3.8 51 151 A E > - 0 0 76 -2,-0.2 3,-0.7 1,-0.1 -1,-0.1 -0.558 7.9-152.8 -78.2 139.9 48.6 17.9 2.6 52 152 A R T 3 S+ 0 0 206 -2,-0.2 27,-0.3 1,-0.2 -1,-0.1 0.766 94.0 62.0 -81.7 -26.4 48.7 19.6 -0.8 53 153 A D T 3 S+ 0 0 134 25,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.072 93.3 88.3 -86.9 22.7 52.3 18.8 -1.2 54 154 A K S < S- 0 0 69 -3,-0.7 2,-0.7 -37,-0.0 25,-0.5 -0.880 71.6-133.2-124.2 157.3 51.7 15.1 -1.1 55 155 A K - 0 0 56 -40,-0.4 -38,-1.6 -2,-0.3 2,-0.3 -0.925 32.3-158.7-107.2 106.4 50.9 12.3 -3.6 56 156 A Y E -bd 17 80A 6 23,-2.8 25,-2.1 -2,-0.7 2,-0.6 -0.657 15.7-157.6 -94.3 145.5 48.0 10.3 -2.2 57 157 A A E -bd 18 81A 0 -40,-1.2 -38,-2.8 -2,-0.3 2,-0.6 -0.951 18.1-150.0-118.0 105.6 47.0 6.7 -3.1 58 158 A V E -bd 19 82A 0 23,-3.2 25,-2.3 -2,-0.6 2,-0.3 -0.678 17.7-170.6 -83.8 119.3 43.3 6.2 -2.1 59 159 A I E +b 20 0A 0 -40,-2.7 -38,-1.8 -2,-0.6 2,-0.2 -0.814 9.9 176.3-114.2 152.7 42.6 2.7 -1.2 60 160 A C - 0 0 0 23,-0.3 27,-2.9 -2,-0.3 28,-0.3 -0.717 47.0 -95.6-136.5-176.9 39.3 0.9 -0.6 61 161 A A S S- 0 0 11 25,-0.3 27,-1.7 -2,-0.2 28,-0.3 0.951 118.0 -11.5 -71.2 -45.7 38.2 -2.7 0.2 62 162 A H S S- 0 0 96 24,-0.2 23,-0.4 25,-0.1 24,-0.1 0.534 104.4 -95.3-126.7 -19.9 37.5 -3.3 -3.5 63 163 A G S > S+ 0 0 14 22,-0.2 4,-1.5 21,-0.1 5,-0.1 0.334 94.5 106.0 119.6 -5.3 37.6 0.1 -5.1 64 164 A N H > S+ 0 0 108 2,-0.2 4,-0.8 1,-0.2 22,-0.0 0.878 90.0 36.7 -73.2 -37.3 34.0 1.3 -5.2 65 165 A R H > S+ 0 0 51 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.812 113.6 56.0 -84.5 -33.9 34.5 3.8 -2.3 66 166 A S H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 103.0 56.9 -63.9 -43.0 38.0 4.9 -3.3 67 167 A A H X S+ 0 0 32 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.902 107.2 47.6 -54.5 -45.6 36.7 5.8 -6.8 68 168 A A H X S+ 0 0 68 -4,-0.8 4,-1.0 1,-0.2 -1,-0.2 0.835 110.5 52.5 -67.0 -32.3 34.1 8.2 -5.4 69 169 A A H X S+ 0 0 4 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.881 106.4 53.6 -70.8 -38.6 36.7 9.8 -3.0 70 170 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.928 105.0 52.0 -62.8 -45.6 39.1 10.4 -5.9 71 171 A E H X S+ 0 0 104 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.809 113.7 47.8 -60.5 -29.5 36.6 12.3 -8.0 72 172 A F H < S+ 0 0 59 -4,-1.0 3,-0.4 -5,-0.2 4,-0.4 0.948 116.6 37.8 -76.9 -52.6 35.9 14.5 -5.0 73 173 A L H <>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 3,-0.3 0.693 108.4 65.8 -74.8 -18.2 39.5 15.3 -3.9 74 174 A S H ><5S+ 0 0 33 -4,-2.3 3,-1.0 -5,-0.3 -1,-0.2 0.855 100.4 49.1 -71.6 -35.0 40.6 15.6 -7.6 75 175 A Q T 3<5S+ 0 0 146 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.593 102.3 64.4 -80.0 -9.7 38.5 18.7 -8.2 76 176 A L T 3 5S- 0 0 73 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.216 122.0-103.1 -95.8 13.7 39.8 20.2 -5.0 77 177 A G T < 5S+ 0 0 47 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.760 71.9 146.5 74.1 26.7 43.3 20.4 -6.5 78 178 A L < - 0 0 17 -5,-1.8 2,-1.5 -25,-0.0 -1,-0.2 -0.775 53.2-128.0-100.0 141.2 44.7 17.4 -4.6 79 179 A N + 0 0 62 -25,-0.5 -23,-2.8 -2,-0.4 2,-0.3 -0.669 56.9 141.5 -86.0 85.4 47.3 15.1 -6.1 80 180 A I E - d 0 56A 1 -2,-1.5 -78,-0.4 -25,-0.2 2,-0.3 -0.915 32.4-162.4-127.8 155.6 45.6 11.8 -5.4 81 181 A V E - d 0 57A 4 -25,-2.1 -23,-3.2 -2,-0.3 2,-0.4 -0.937 21.9-117.3-134.3 155.8 45.2 8.5 -7.3 82 182 A D E -ad 3 58A 10 -80,-2.3 -78,-2.8 -2,-0.3 2,-0.7 -0.768 23.3-133.3 -96.2 138.3 42.8 5.6 -7.1 83 183 A V E > -a 4 0A 0 -25,-2.3 3,-1.5 -2,-0.4 -23,-0.3 -0.825 23.3-127.6 -96.1 115.0 44.1 2.1 -6.2 84 184 A E T 3 S+ 0 0 83 -80,-1.5 -78,-0.1 -2,-0.7 -21,-0.1 -0.314 86.9 10.0 -62.4 133.1 42.7 -0.6 -8.5 85 185 A G T 3> S- 0 0 29 -23,-0.4 4,-1.7 4,-0.1 3,-0.5 0.309 103.5-117.9 83.3 -9.4 41.2 -3.6 -6.8 86 186 A G H <> - 0 0 0 -3,-1.5 4,-1.3 1,-0.2 -25,-0.3 -0.288 56.0 -49.0 72.6-163.3 41.3 -2.1 -3.4 87 187 A I H > S+ 0 0 7 -27,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.634 135.6 70.7 -80.9 -14.3 43.3 -3.6 -0.5 88 188 A Q H > S+ 0 0 95 -27,-1.7 4,-2.7 -3,-0.5 3,-0.2 0.974 102.3 41.3 -62.8 -53.0 41.6 -6.9 -1.5 89 189 A S H X S+ 0 0 26 -4,-1.7 4,-2.3 -28,-0.3 -2,-0.2 0.907 110.6 58.5 -59.9 -43.8 43.7 -7.0 -4.7 90 190 A W H <>S+ 0 0 4 -4,-1.3 5,-1.0 1,-0.2 -1,-0.2 0.889 112.4 39.7 -52.8 -43.5 46.7 -5.8 -2.8 91 191 A I H ><5S+ 0 0 77 -4,-2.1 3,-2.3 -3,-0.2 -2,-0.2 0.886 110.0 57.9 -75.0 -41.7 46.5 -8.8 -0.5 92 192 A E H 3<5S+ 0 0 149 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.854 105.0 53.3 -57.3 -35.2 45.6 -11.3 -3.3 93 193 A E T 3<5S- 0 0 115 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.401 123.7-107.4 -81.6 3.2 48.8 -10.3 -5.0 94 194 A G T < 5 + 0 0 61 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.970 60.4 160.8 72.7 55.7 50.7 -11.1 -1.8 95 195 A Y < - 0 0 47 -5,-1.0 -1,-0.2 -4,-0.1 -88,-0.0 -0.870 45.8 -90.5-113.2 146.6 51.6 -7.6 -0.5 96 196 A P + 0 0 75 0, 0.0 2,-0.3 0, 0.0 -63,-0.3 -0.218 46.0 178.6 -54.8 129.5 52.7 -6.6 3.0 97 197 A V - 0 0 56 -65,-0.1 2,-0.3 -6,-0.1 -65,-0.2 -0.967 19.8-130.5-134.1 148.3 49.9 -5.6 5.3 98 198 A V B -E 31 0B 49 -67,-3.3 -67,-1.3 -2,-0.3 -68,-0.0 -0.812 5.1-150.0-105.7 143.3 50.0 -4.5 9.0 99 199 A L 0 0 143 -2,-0.3 -69,-0.1 -69,-0.2 -1,-0.1 0.557 360.0 360.0 -82.4 -11.5 47.9 -5.8 11.9 100 200 A E 0 0 169 -69,-0.1 -1,-0.1 -71,-0.1 -67,-0.0 0.966 360.0 360.0 -48.1 360.0 48.0 -2.4 13.7