==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUL-04 1W4I . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE E2; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROBACULUM AEROPHILUM; . AUTHOR N.FERGUSON,T.D.SHARPE,P.J.SCHARTAU,M.D.ALLEN,C.M.JOHNSON, . 62 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 4.8 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 . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 . 6 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 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 1 125 A G 0 0 105 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-155.3 5.0 12.4 8.2 2 126 A S + 0 0 127 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.619 360.0 152.3 -80.8 90.3 7.2 10.1 10.3 3 127 A R - 0 0 195 -2,-1.5 2,-0.2 2,-0.1 0, 0.0 -0.296 43.8 -84.9-105.4-168.5 5.4 6.7 9.8 4 128 A E S S- 0 0 158 -2,-0.1 -1,-0.1 2,-0.0 18,-0.0 -0.572 81.8 -5.8 -99.4 164.4 6.6 3.1 9.8 5 129 A V S S- 0 0 88 -2,-0.2 2,-0.4 1,-0.1 -2,-0.1 0.151 92.4 -71.7 44.9-168.7 8.2 1.0 7.0 6 130 A A E -a 33 0A 39 26,-0.5 28,-3.2 16,-0.1 2,-0.3 -0.946 46.5-176.4-123.2 143.1 8.5 2.5 3.5 7 131 A A E -a 34 0A 12 -2,-0.4 28,-0.2 26,-0.3 26,-0.0 -0.909 28.0-106.0-133.7 162.1 5.7 3.1 0.9 8 132 A M > - 0 0 66 26,-2.3 4,-2.8 -2,-0.3 5,-0.3 -0.576 30.9-117.5 -87.0 150.2 5.5 4.3 -2.6 9 133 A P H > S+ 0 0 102 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.927 117.8 42.8 -50.6 -52.0 4.2 7.9 -3.4 10 134 A A H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.857 112.0 57.0 -64.0 -35.0 1.2 6.6 -5.4 11 135 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.956 104.5 49.2 -60.7 -52.9 0.7 3.9 -2.7 12 136 A R H X S+ 0 0 112 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.838 109.2 56.2 -56.0 -33.8 0.3 6.5 0.1 13 137 A R H X S+ 0 0 183 -4,-1.4 4,-2.1 -5,-0.3 3,-0.3 0.961 107.7 44.5 -63.7 -53.1 -2.1 8.3 -2.1 14 138 A L H X S+ 0 0 57 -4,-2.2 4,-3.1 1,-0.2 6,-0.4 0.775 111.8 56.3 -62.8 -25.4 -4.5 5.3 -2.5 15 139 A A H X>S+ 0 0 9 -4,-1.8 4,-0.9 2,-0.2 5,-0.8 0.868 109.5 43.6 -73.9 -36.9 -4.0 4.8 1.2 16 140 A K H <5S+ 0 0 177 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.787 120.9 42.4 -76.3 -29.4 -5.3 8.3 2.0 17 141 A E H <5S+ 0 0 161 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.911 126.5 30.0 -82.0 -49.0 -8.1 7.9 -0.5 18 142 A L H <5S- 0 0 93 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.556 108.3-119.0 -87.6 -10.2 -9.1 4.4 0.3 19 143 A G T <5 + 0 0 60 -4,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.843 55.3 163.7 75.0 33.2 -8.1 4.7 3.9 20 144 A I < - 0 0 14 -5,-0.8 2,-1.0 -6,-0.4 -1,-0.2 -0.640 39.9-130.5 -87.8 142.9 -5.6 1.9 3.7 21 145 A D > - 0 0 88 -2,-0.3 3,-1.9 1,-0.2 4,-0.1 -0.794 18.1-172.7 -94.8 100.8 -2.9 1.3 6.3 22 146 A L G > S+ 0 0 18 -2,-1.0 3,-1.3 1,-0.3 -1,-0.2 0.708 79.8 75.6 -65.1 -18.7 0.4 1.0 4.3 23 147 A S G 3 S+ 0 0 60 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.687 101.1 41.7 -66.1 -17.3 2.0 0.1 7.6 24 148 A K G < S+ 0 0 138 -3,-1.9 -1,-0.3 2,-0.1 2,-0.2 0.302 94.3 107.6-110.9 5.7 0.3 -3.3 7.2 25 149 A V S < S- 0 0 12 -3,-1.3 2,-0.7 -4,-0.1 9,-0.1 -0.589 81.2-101.4 -87.7 148.3 1.0 -3.7 3.5 26 150 A K - 0 0 115 -2,-0.2 9,-0.5 12,-0.2 2,-0.4 -0.554 36.2-137.8 -71.0 109.9 3.5 -6.2 2.1 27 151 A G + 0 0 36 -2,-0.7 7,-0.3 5,-0.2 6,-0.2 -0.556 39.7 153.9 -72.8 122.2 6.6 -4.2 1.2 28 152 A T + 0 0 89 5,-1.7 6,-0.2 -2,-0.4 -1,-0.1 -0.071 47.9 78.2-139.3 33.7 8.1 -5.3 -2.1 29 153 A G S > S- 0 0 18 4,-0.7 3,-2.9 1,-0.2 4,-0.4 -0.528 90.7 -7.8-127.0-165.5 9.9 -2.2 -3.3 30 154 A P T 3 S- 0 0 115 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.045 137.5 -20.1 -31.9 98.9 13.1 -0.3 -2.8 31 155 A G T 3 S- 0 0 97 1,-0.2 -4,-0.1 -3,-0.1 -25,-0.0 0.225 138.1 -40.3 80.2 -16.9 14.6 -2.1 0.2 32 156 A G S < S+ 0 0 31 -3,-2.9 -26,-0.5 1,-0.1 2,-0.3 0.607 90.9 157.4 127.6 43.4 11.2 -3.5 1.1 33 157 A V E -a 6 0A 8 -4,-0.4 -5,-1.7 -6,-0.2 -4,-0.7 -0.752 46.0-108.4 -99.7 144.2 8.8 -0.7 0.5 34 158 A I E -a 7 0A 0 -28,-3.2 -26,-2.3 -2,-0.3 2,-0.2 -0.530 37.7-158.2 -71.6 127.8 5.0 -1.1 -0.2 35 159 A T >> - 0 0 24 -9,-0.5 4,-2.4 -2,-0.3 3,-0.9 -0.574 34.2 -99.5-102.9 167.9 4.1 -0.3 -3.8 36 160 A V H 3> S+ 0 0 37 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.829 124.8 59.9 -54.8 -31.6 0.8 0.6 -5.4 37 161 A E H 3> S+ 0 0 140 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.901 107.4 45.0 -63.2 -39.4 0.5 -3.0 -6.4 38 162 A D H <> S+ 0 0 8 -3,-0.9 4,-3.2 2,-0.2 5,-0.3 0.915 116.3 45.4 -69.9 -44.3 0.6 -4.0 -2.7 39 163 A V H X S+ 0 0 0 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.968 115.4 45.4 -63.4 -54.6 -1.8 -1.2 -1.7 40 164 A K H X S+ 0 0 125 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.842 117.3 47.7 -57.6 -34.4 -4.3 -1.9 -4.5 41 165 A R H X S+ 0 0 115 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.937 116.9 39.6 -72.7 -49.5 -3.9 -5.6 -3.7 42 166 A Y H X S+ 0 0 49 -4,-3.2 4,-2.3 2,-0.2 5,-0.3 0.937 115.8 51.6 -66.0 -48.0 -4.3 -5.4 0.1 43 167 A A H X S+ 0 0 4 -4,-3.5 4,-2.7 -5,-0.3 -1,-0.2 0.888 113.7 44.5 -56.6 -42.0 -7.1 -2.7 -0.2 44 168 A E H X S+ 0 0 74 -4,-1.4 4,-0.6 -5,-0.3 5,-0.3 0.838 115.3 48.3 -72.1 -33.1 -9.0 -4.9 -2.6 45 169 A E H < S+ 0 0 147 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.740 117.4 42.2 -78.0 -24.1 -8.4 -8.0 -0.5 46 170 A T H < S- 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.834 141.5 -12.2 -89.3 -38.2 -9.5 -6.1 2.7 47 171 A A H < S+ 0 0 48 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 -0.533 75.3 133.6-168.0 93.0 -12.5 -4.3 1.1 48 172 A K S < S- 0 0 152 -4,-0.6 -3,-0.1 -3,-0.1 -4,-0.1 0.741 89.7 -3.5-109.8 -41.3 -13.1 -4.2 -2.6 49 173 A A + 0 0 51 -5,-0.3 2,-0.5 2,-0.1 -5,-0.0 -0.470 63.7 159.4-156.7 75.6 -16.8 -5.1 -2.9 50 174 A T S S+ 0 0 128 1,-0.1 3,-0.1 -2,-0.0 -1,-0.0 -0.287 85.9 13.1 -95.1 48.1 -18.5 -5.9 0.4 51 175 A A S S+ 0 0 92 -2,-0.5 2,-0.7 1,-0.3 -1,-0.1 -0.023 102.4 82.4-177.0 -62.3 -22.0 -5.2 -0.9 52 176 A P + 0 0 91 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 -0.552 42.9 166.1 -71.1 109.0 -22.3 -4.9 -4.7 53 177 A A + 0 0 84 -2,-0.7 2,-0.1 -3,-0.1 -3,-0.0 0.915 49.0 87.5 -88.2 -53.0 -22.5 -8.4 -6.1 54 178 A P + 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.291 51.0 169.4 -53.3 115.7 -23.7 -7.7 -9.7 55 179 A A - 0 0 86 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.751 11.5-169.2-135.7 87.9 -20.6 -7.1 -11.8 56 180 A P - 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.123 9.6-169.6 -69.4 170.5 -21.2 -7.0 -15.6 57 181 A K + 0 0 197 1,-0.3 2,-0.2 0, 0.0 0, 0.0 0.619 62.6 62.0-125.1 -64.8 -18.4 -7.0 -18.2 58 182 A A S S- 0 0 90 1,-0.1 2,-1.0 2,-0.0 3,-0.3 -0.472 75.3-133.2 -72.6 139.1 -19.7 -6.3 -21.7 59 183 A V + 0 0 146 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.778 65.5 108.8 -97.4 95.4 -21.2 -2.9 -22.3 60 184 A E + 0 0 191 -2,-1.0 -1,-0.2 1,-0.2 2,-0.0 0.602 58.8 64.8-128.3 -57.3 -24.5 -3.4 -24.2 61 185 A K 0 0 196 -3,-0.3 -1,-0.2 1,-0.1 0, 0.0 -0.319 360.0 360.0 -72.6 157.2 -27.5 -2.8 -22.0 62 186 A A 0 0 159 -3,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 0.328 360.0 360.0-115.5 360.0 -28.3 0.7 -20.5