==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUL-04 1W4K . 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, . 51 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 3.9 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 . 1 2.0 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 . 5 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 1 125 A G 0 0 139 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-136.8 19.6 -5.1 11.3 2 126 A S - 0 0 117 1,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.977 360.0-153.8-131.2 143.3 16.4 -3.7 9.9 3 127 A R - 0 0 237 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 0.073 48.9-122.3 -99.7 22.7 15.8 -1.2 7.0 4 128 A E - 0 0 166 2,-0.0 2,-0.4 1,-0.0 -1,-0.2 0.248 46.8 -49.5 56.6 169.6 12.5 -0.1 8.5 5 129 A V - 0 0 105 -3,-0.1 2,-0.3 28,-0.0 28,-0.1 -0.614 60.2-150.4 -77.8 126.0 9.2 -0.4 6.6 6 130 A A B -a 33 0A 24 26,-1.4 28,-1.7 -2,-0.4 2,-0.2 -0.687 16.6-179.0 -98.0 151.8 9.4 1.1 3.1 7 131 A A - 0 0 24 26,-0.3 26,-0.1 -2,-0.3 28,-0.1 -0.722 20.9-139.5-152.2 95.1 6.5 2.7 1.2 8 132 A M > - 0 0 54 26,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.111 29.6-105.6 -46.3 167.4 7.1 4.0 -2.4 9 133 A P H > S+ 0 0 105 0, 0.0 4,-4.0 0, 0.0 5,-0.3 0.932 117.0 52.5 -65.9 -48.5 5.5 7.3 -3.4 10 134 A A H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 116.9 38.7 -54.3 -49.0 2.8 5.8 -5.6 11 135 A A H > S+ 0 0 0 23,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.844 117.7 51.1 -71.3 -34.2 1.6 3.5 -2.8 12 136 A R H X S+ 0 0 135 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.927 111.6 46.8 -68.0 -46.4 2.2 6.1 -0.2 13 137 A R H X S+ 0 0 183 -4,-4.0 4,-1.8 2,-0.2 3,-0.2 0.963 117.8 40.5 -60.1 -56.0 0.1 8.7 -2.1 14 138 A L H X S+ 0 0 28 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.892 111.5 58.3 -61.4 -40.7 -2.8 6.4 -2.9 15 139 A A H X>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 4,-1.7 0.881 110.7 42.7 -56.8 -39.6 -2.6 4.9 0.6 16 140 A K H <5S+ 0 0 160 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.793 116.8 47.2 -77.0 -29.8 -3.1 8.4 2.1 17 141 A E H <5S+ 0 0 154 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.744 117.9 42.0 -81.9 -25.4 -5.8 9.2 -0.5 18 142 A L H <5S- 0 0 103 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.737 106.3-126.6 -90.5 -28.6 -7.6 5.9 0.1 19 143 A G T <5 + 0 0 68 -4,-1.7 2,-0.5 -5,-0.3 -3,-0.2 0.885 57.2 144.2 82.1 41.6 -7.2 5.9 3.9 20 144 A I < - 0 0 21 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.3 -0.960 58.4-113.1-118.6 127.4 -5.5 2.6 4.2 21 145 A D > - 0 0 106 -2,-0.5 4,-1.3 1,-0.2 -5,-0.1 -0.394 25.8-164.4 -58.9 103.1 -2.8 1.8 6.8 22 146 A A T 4 S+ 0 0 10 -2,-0.7 3,-0.3 1,-0.2 5,-0.2 0.890 87.5 58.0 -57.6 -40.4 0.2 1.2 4.6 23 147 A S T 4 S+ 0 0 78 1,-0.3 -1,-0.2 3,-0.1 4,-0.2 0.944 103.2 51.2 -55.5 -49.9 2.1 -0.4 7.5 24 148 A K T 4 S+ 0 0 122 1,-0.2 2,-1.6 2,-0.1 -1,-0.3 0.818 97.0 79.4 -57.1 -28.2 -0.7 -3.0 7.9 25 149 A V S < S- 0 0 0 -4,-1.3 2,-0.9 -3,-0.3 -1,-0.2 -0.629 88.3-141.3 -83.5 85.3 -0.2 -3.5 4.1 26 150 A K - 0 0 164 -2,-1.6 -3,-0.1 1,-0.1 -2,-0.1 -0.258 21.5-144.9 -50.9 92.9 2.9 -5.7 4.3 27 151 A G - 0 0 14 -2,-0.9 7,-0.3 5,-0.3 -21,-0.1 -0.347 21.7-172.3 -65.5 142.0 4.7 -4.3 1.3 28 152 A T + 0 0 98 5,-0.3 6,-0.2 4,-0.1 3,-0.1 0.179 41.6 127.1-118.5 13.4 6.8 -6.7 -0.9 29 153 A G B >> S-B 33 0A 3 4,-1.8 3,-2.0 1,-0.2 4,-1.4 -0.342 79.6 -68.1 -72.5 155.0 8.4 -4.1 -3.1 30 154 A P T 34 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.165 129.0 14.7 -44.7 106.8 12.2 -3.9 -3.6 31 155 A G T 34 S- 0 0 60 -3,-0.1 3,-0.1 1,-0.1 -25,-0.1 0.644 135.6 -65.0 98.0 19.0 13.5 -2.8 -0.2 32 156 A G T <4 S+ 0 0 32 -3,-2.0 -26,-1.4 1,-0.2 2,-0.5 0.734 88.3 156.1 76.1 22.1 10.3 -3.5 1.7 33 157 A V B < -aB 6 29A 22 -4,-1.4 -4,-1.8 -28,-0.1 2,-0.6 -0.724 48.8-121.7 -86.8 124.6 8.4 -0.8 -0.2 34 158 A I - 0 0 1 -28,-1.7 -23,-0.3 -2,-0.5 -26,-0.3 -0.481 35.6-139.5 -64.3 111.3 4.7 -1.3 -0.3 35 159 A T >> - 0 0 26 -2,-0.6 4,-2.1 1,-0.1 3,-0.7 -0.350 16.4-113.5 -75.2 156.5 4.0 -1.5 -4.0 36 160 A V H 3> S+ 0 0 54 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.900 120.8 52.1 -54.3 -43.3 1.1 0.2 -5.7 37 161 A E H 3> S+ 0 0 132 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.793 107.0 56.0 -64.0 -27.7 -0.3 -3.2 -6.6 38 162 A D H <> S+ 0 0 11 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.934 114.3 35.8 -70.0 -48.2 0.1 -4.1 -3.0 39 163 A V H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.4 0.891 117.1 53.7 -72.8 -41.2 -2.0 -1.2 -1.7 40 164 A K H X S+ 0 0 113 -4,-3.2 4,-2.1 -5,-0.2 5,-0.2 0.932 114.9 39.8 -58.9 -48.4 -4.4 -1.3 -4.6 41 165 A R H X S+ 0 0 132 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.901 119.1 46.9 -68.4 -42.6 -5.2 -5.0 -4.1 42 166 A W H X S+ 0 0 48 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.937 115.6 43.8 -65.4 -49.2 -5.2 -4.7 -0.3 43 167 A A H X S+ 0 0 8 -4,-3.4 4,-1.6 1,-0.2 5,-0.2 0.909 114.6 49.3 -63.9 -43.8 -7.4 -1.6 -0.2 44 168 A E H X S+ 0 0 85 -4,-2.1 4,-2.2 -5,-0.4 -1,-0.2 0.867 106.0 58.2 -64.1 -36.3 -9.8 -2.9 -2.8 45 169 A E H X S+ 0 0 104 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.916 102.4 54.2 -58.9 -45.0 -10.1 -6.2 -0.9 46 170 A T H < S+ 0 0 75 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.941 114.3 39.1 -55.0 -52.1 -11.3 -4.4 2.2 47 171 A A H < S+ 0 0 83 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.784 109.8 63.8 -69.4 -26.6 -14.1 -2.7 0.3 48 172 A K H < S+ 0 0 137 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 0.842 79.9 96.5 -65.2 -34.4 -14.6 -6.0 -1.6 49 173 A A < + 0 0 73 -4,-1.8 -4,-0.0 -3,-0.4 -3,-0.0 -0.436 40.0 159.1 -62.3 113.3 -15.6 -7.7 1.6 50 174 A T 0 0 145 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.0 0.706 360.0 360.0-106.2 -31.4 -19.4 -7.7 1.7 51 175 A A 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.253 360.0 360.0 -77.5 360.0 -20.0 -10.5 4.2