==== 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 1W4J . 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) . 4177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 70.6 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 . 6 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 9.8 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 0 100 0, 0.0 3,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 85.8 17.3 -2.4 6.1 2 126 A S T 3 + 0 0 130 1,-0.2 29,-0.0 3,-0.1 30,-0.0 0.660 360.0 62.5 -87.3 -18.8 15.1 -5.1 7.8 3 127 A R T 3 S+ 0 0 240 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.053 99.0 67.8 -96.5 32.0 14.3 -2.8 10.8 4 128 A E S < S- 0 0 158 -3,-0.5 2,-0.5 2,-0.0 0, 0.0 -0.980 74.5-131.6-152.9 137.3 12.5 -0.3 8.5 5 129 A V - 0 0 118 -2,-0.3 2,-0.2 2,-0.0 28,-0.1 -0.783 23.3-151.9 -93.0 126.6 9.3 -0.4 6.5 6 130 A A B -a 33 0A 28 26,-1.5 28,-1.7 -2,-0.5 2,-0.2 -0.648 12.9-175.7 -96.3 154.3 9.6 0.9 2.9 7 131 A A - 0 0 26 26,-0.3 26,-0.1 -2,-0.2 28,-0.1 -0.725 19.0-140.2-152.3 95.5 6.8 2.5 0.9 8 132 A M > - 0 0 53 26,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.084 29.8-106.2 -47.4 167.0 7.3 3.5 -2.7 9 133 A P H > S+ 0 0 107 0, 0.0 4,-4.0 0, 0.0 5,-0.3 0.926 116.5 53.1 -65.9 -47.5 5.8 6.8 -4.0 10 134 A A H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.933 116.1 38.8 -54.2 -51.0 3.0 5.2 -6.0 11 135 A A H > S+ 0 0 0 23,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.839 118.0 51.0 -69.7 -33.6 1.7 3.2 -3.0 12 136 A R H X S+ 0 0 150 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.936 111.4 46.5 -68.5 -48.1 2.5 6.1 -0.6 13 137 A R H X S+ 0 0 191 -4,-4.0 4,-1.8 2,-0.2 -2,-0.2 0.958 118.3 40.7 -58.9 -54.7 0.6 8.6 -2.7 14 138 A L H X S+ 0 0 28 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.884 111.9 57.6 -62.6 -39.5 -2.5 6.4 -3.2 15 139 A A H X>S+ 0 0 0 -4,-2.1 5,-2.1 -5,-0.2 4,-1.7 0.884 110.6 43.1 -58.7 -39.6 -2.3 5.2 0.4 16 140 A K H <5S+ 0 0 131 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.796 116.3 47.8 -76.2 -29.8 -2.6 8.8 1.5 17 141 A E H <5S+ 0 0 159 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.731 116.6 43.5 -81.9 -23.9 -5.3 9.5 -1.0 18 142 A L H <5S- 0 0 99 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.748 108.2-123.6 -90.6 -28.9 -7.2 6.4 0.0 19 143 A G T <5 + 0 0 70 -4,-1.7 2,-0.4 -5,-0.3 -3,-0.2 0.827 60.7 138.7 88.2 35.6 -6.7 6.8 3.7 20 144 A I < - 0 0 19 -5,-2.1 2,-1.1 -6,-0.2 -1,-0.3 -0.912 60.6-114.0-116.4 142.3 -5.1 3.5 4.5 21 145 A D >> - 0 0 109 -2,-0.4 3,-1.6 1,-0.2 4,-1.0 -0.593 21.6-157.3 -74.0 101.0 -2.1 2.8 6.8 22 146 A A T 34 S+ 0 0 9 -2,-1.1 3,-0.3 1,-0.3 5,-0.3 0.796 94.6 61.0 -49.8 -28.0 0.6 1.7 4.4 23 147 A S T 34 S+ 0 0 77 1,-0.3 -1,-0.3 3,-0.1 4,-0.1 0.900 99.2 53.5 -66.7 -37.3 2.1 0.0 7.4 24 148 A K T <4 S+ 0 0 125 -3,-1.6 2,-1.2 1,-0.2 -1,-0.3 0.741 96.0 80.6 -65.9 -21.1 -1.0 -2.0 7.7 25 149 A V S < S- 0 0 4 -4,-1.0 2,-0.9 -3,-0.3 -1,-0.2 -0.708 87.8-139.2 -89.9 88.1 -0.2 -2.8 4.1 26 150 A K - 0 0 191 -2,-1.2 2,-0.2 12,-0.1 -3,-0.1 -0.253 23.7-148.0 -50.8 91.7 2.4 -5.6 4.4 27 151 A G + 0 0 20 -2,-0.9 7,-0.3 -5,-0.3 -21,-0.1 -0.463 26.2 178.1 -70.2 133.8 4.6 -4.3 1.6 28 152 A T + 0 0 106 5,-0.3 6,-0.2 -2,-0.2 -1,-0.1 0.160 38.5 127.1-118.5 14.2 6.5 -7.0 -0.4 29 153 A G B >> S-B 33 0A 4 4,-2.0 3,-1.9 1,-0.2 4,-1.4 -0.346 79.6 -67.3 -73.2 155.3 8.2 -4.7 -2.9 30 154 A P T 34 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.158 129.5 15.0 -44.4 106.5 12.0 -4.7 -3.4 31 155 A G T 34 S- 0 0 62 -3,-0.1 -25,-0.1 1,-0.1 3,-0.1 0.654 135.2 -65.6 98.1 19.8 13.4 -3.4 -0.1 32 156 A G T <4 S+ 0 0 33 -3,-1.9 -26,-1.5 1,-0.2 2,-0.5 0.737 88.1 156.8 74.6 22.2 10.2 -3.8 1.9 33 157 A V B < -aB 6 29A 22 -4,-1.4 -4,-2.0 -28,-0.1 2,-0.5 -0.711 48.9-120.3 -85.8 126.3 8.4 -1.2 -0.2 34 158 A I - 0 0 1 -28,-1.7 -23,-0.3 -2,-0.5 -26,-0.3 -0.484 36.4-138.7 -65.0 111.9 4.6 -1.5 -0.1 35 159 A T >> - 0 0 30 -2,-0.5 4,-2.1 1,-0.1 3,-0.7 -0.352 15.7-114.9 -75.0 156.5 3.9 -1.9 -3.8 36 160 A V H 3> S+ 0 0 44 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.883 120.1 53.5 -56.1 -39.9 1.0 -0.2 -5.6 37 161 A E H 3> S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.800 106.0 55.6 -65.8 -28.1 -0.6 -3.6 -6.2 38 162 A D H <> S+ 0 0 25 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.966 113.2 37.5 -68.5 -53.4 -0.2 -4.2 -2.4 39 163 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.885 119.6 49.0 -65.6 -41.3 -2.2 -1.1 -1.4 40 164 A K H X S+ 0 0 126 -4,-2.8 4,-2.1 -5,-0.2 5,-0.2 0.936 111.2 48.2 -65.6 -48.0 -4.6 -1.4 -4.2 41 165 A R H X S+ 0 0 137 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.892 116.9 43.6 -60.6 -40.3 -5.4 -5.1 -3.7 42 166 A W H X S+ 0 0 81 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.950 109.1 55.4 -70.6 -49.0 -5.9 -4.5 0.0 43 167 A A H X S+ 0 0 21 -4,-3.0 4,-1.4 1,-0.3 -2,-0.2 0.873 114.1 42.6 -50.5 -39.0 -7.9 -1.3 -0.4 44 168 A E H X S+ 0 0 91 -4,-2.1 4,-3.3 1,-0.2 -1,-0.3 0.815 103.8 65.5 -77.3 -31.3 -10.3 -3.4 -2.6 45 169 A E H X S+ 0 0 115 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.820 104.3 47.8 -59.6 -30.1 -10.1 -6.3 -0.2 46 170 A T H >< S+ 0 0 67 -4,-1.7 3,-0.6 2,-0.2 -1,-0.2 0.942 115.6 40.8 -75.4 -50.7 -11.9 -4.0 2.3 47 171 A A H 3< S+ 0 0 85 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.825 108.2 64.1 -66.6 -31.2 -14.6 -2.8 -0.1 48 172 A K H 3< S+ 0 0 144 -4,-3.3 2,-0.5 -5,-0.1 -1,-0.2 0.831 83.1 92.1 -61.0 -32.8 -14.9 -6.3 -1.4 49 173 A A << + 0 0 60 -4,-0.7 -3,-0.0 -3,-0.6 -4,-0.0 -0.523 50.3 172.5 -68.9 116.1 -16.1 -7.4 2.0 50 174 A T 0 0 145 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.0 0.940 360.0 360.0 -87.6 -67.0 -19.9 -7.2 2.0 51 175 A A 0 0 156 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.714 360.0 360.0 -67.3 360.0 -21.0 -8.8 5.4