==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-MAR-07 2EQ7 . COMPND 2 MOLECULE: 2-OXOGLUTARATE DEHYDROGENASE E3 COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR T.NAKAI,N.KAMIYA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIA . 941 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35583.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 679 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 74 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 264 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.2 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 4 0 7 1 1 1 0 0 5 2 2 0 0 2 0 2 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 6 4 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 . 4 0 7 5 0 6 2 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 . 4 2 2 4 2 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 1 A M 0 0 157 0, 0.0 129,-0.2 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 160.0 22.2 61.4 43.4 2 2 A Y E -a 130 0A 49 127,-2.2 129,-1.5 1,-0.1 3,-0.2 -0.341 360.0-135.4 -76.8 160.9 21.7 57.8 42.5 3 3 A D E S+ 0 0 50 23,-2.2 129,-1.9 1,-0.3 2,-0.4 0.840 98.0 17.8 -81.2 -35.8 21.8 55.0 45.1 4 4 A L E -ab 132 27A 0 22,-1.6 24,-2.1 127,-0.2 2,-0.5 -0.996 65.3-165.4-139.6 131.4 24.0 53.1 42.7 5 5 A L E -ab 133 28A 0 127,-2.1 129,-3.0 -2,-0.4 2,-0.5 -0.976 13.3-161.7-115.4 122.7 26.0 54.3 39.6 6 6 A V E -ab 134 29A 0 22,-3.1 24,-3.0 -2,-0.5 2,-0.7 -0.910 6.2-154.8-108.7 129.9 27.1 51.5 37.3 7 7 A I E +ab 135 30A 8 127,-3.0 129,-2.5 -2,-0.5 24,-0.2 -0.913 69.3 24.1-105.3 111.6 29.9 52.1 34.8 8 8 A G - 0 0 10 22,-3.1 23,-0.2 -2,-0.7 22,-0.1 0.192 62.9-139.0 107.7 133.1 29.6 49.7 31.9 9 9 A A + 0 0 0 4,-0.2 28,-2.2 26,-0.1 29,-0.1 -0.170 59.6 118.5-117.3 38.7 26.5 47.9 30.6 10 10 A G S > S- 0 0 10 126,-0.5 4,-3.1 27,-0.2 5,-0.5 -0.178 90.1 -67.4 -87.0-171.1 27.9 44.4 29.8 11 11 A P H > S+ 0 0 13 0, 0.0 4,-1.0 0, 0.0 5,-0.2 0.830 137.5 46.5 -47.3 -39.1 26.7 41.2 31.5 12 12 A G H > S+ 0 0 4 3,-0.1 4,-2.0 2,-0.1 5,-0.2 0.975 118.1 38.3 -70.6 -55.2 28.1 42.4 34.8 13 13 A G H > S+ 0 0 0 123,-0.3 4,-2.3 1,-0.2 -4,-0.2 0.903 117.3 46.2 -65.5 -45.2 26.8 45.9 34.8 14 14 A Y H X S+ 0 0 27 -4,-3.1 4,-1.8 2,-0.2 -1,-0.2 0.847 115.6 45.6 -72.0 -29.4 23.3 45.4 33.3 15 15 A V H X S+ 0 0 29 -4,-1.0 4,-2.7 -5,-0.5 5,-0.2 0.898 112.7 51.3 -76.4 -39.1 22.5 42.4 35.5 16 16 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.928 109.7 51.6 -60.1 -43.5 23.8 44.2 38.6 17 17 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.929 111.0 46.3 -59.3 -48.6 21.6 47.2 37.6 18 18 A I H X S+ 0 0 23 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.925 113.9 47.5 -61.9 -45.9 18.5 45.0 37.3 19 19 A R H X S+ 0 0 22 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.917 111.3 51.8 -61.9 -42.6 19.2 43.2 40.6 20 20 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 -5,-0.2 3,-0.5 0.918 109.4 49.8 -59.7 -43.5 19.8 46.5 42.3 21 21 A A H ><5S+ 0 0 21 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.887 106.9 54.6 -62.8 -38.8 16.5 47.9 41.0 22 22 A Q H 3<5S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.762 106.0 54.5 -65.5 -24.6 14.7 44.8 42.3 23 23 A L T 3<5S- 0 0 34 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.367 127.1 -99.5 -90.6 3.5 16.2 45.6 45.7 24 24 A G T < 5S+ 0 0 59 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.488 75.8 138.1 95.4 3.3 14.8 49.1 45.7 25 25 A M < - 0 0 9 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.3 -0.519 54.6-127.8 -82.0 150.0 17.8 51.1 44.6 26 26 A K - 0 0 117 -2,-0.2 -23,-2.2 -25,-0.1 -22,-1.6 -0.897 38.5-160.4 -96.9 115.6 17.5 53.9 42.1 27 27 A V E -b 4 0A 2 -2,-0.7 78,-2.3 76,-0.3 2,-0.4 -0.770 21.0-169.3-107.6 146.0 20.2 53.0 39.5 28 28 A G E -bc 5 105A 0 -24,-2.1 -22,-3.1 -2,-0.3 2,-0.4 -0.988 10.6-161.2-127.8 136.8 22.0 55.0 36.8 29 29 A V E -bc 6 106A 0 76,-2.5 78,-3.0 -2,-0.4 2,-0.5 -0.981 3.6-158.7-125.3 129.3 24.2 53.2 34.2 30 30 A V E +bc 7 107A 2 -24,-3.0 -22,-3.1 -2,-0.4 2,-0.4 -0.923 17.8 168.7-108.6 126.2 26.9 54.9 32.1 31 31 A E E - c 0 108A 15 76,-2.3 78,-1.6 -2,-0.5 79,-0.1 -0.996 26.1-157.2-138.3 129.3 27.9 53.2 28.8 32 32 A K S S+ 0 0 88 -2,-0.4 2,-0.2 76,-0.2 78,-0.2 0.762 73.3 79.1 -78.4 -25.9 30.0 54.6 26.1 33 33 A E S S- 0 0 71 2,-0.2 76,-0.1 76,-0.1 -2,-0.1 -0.520 84.8-123.2 -82.7 153.1 28.7 52.4 23.2 34 34 A K S S+ 0 0 161 -2,-0.2 2,-0.3 74,-0.1 -1,-0.1 0.897 95.0 52.6 -60.3 -43.8 25.4 53.2 21.5 35 35 A A S S- 0 0 35 1,-0.0 3,-0.4 3,-0.0 -2,-0.2 -0.716 81.0-130.6 -98.9 148.9 24.0 49.7 22.3 36 36 A L S S+ 0 0 9 -2,-0.3 -26,-0.1 56,-0.3 59,-0.1 -0.394 74.0 77.2 -86.4 168.0 23.8 48.0 25.7 37 37 A G S > S- 0 0 0 -28,-2.2 4,-1.8 -2,-0.1 3,-0.2 0.203 78.0-136.7 116.7 -17.7 25.0 44.5 26.3 38 38 A G H > - 0 0 5 -3,-0.4 4,-2.4 -28,-0.3 5,-0.4 -0.121 57.2 -30.2 65.5-158.9 28.7 44.9 26.4 39 39 A T H >>S+ 0 0 37 1,-0.2 4,-2.3 3,-0.2 5,-0.8 0.927 136.3 55.0 -58.4 -48.3 31.3 42.7 24.8 40 40 A a H >5S+ 0 0 6 4,-0.2 6,-2.1 -3,-0.2 4,-0.8 0.918 117.7 30.6 -54.5 -54.0 29.1 39.6 25.1 41 41 A L H <5S+ 0 0 2 -4,-1.8 -1,-0.2 4,-0.2 -2,-0.2 0.893 127.2 40.1 -77.5 -39.0 26.0 40.9 23.4 42 42 A R H <5S- 0 0 58 -4,-2.4 -3,-0.2 1,-0.1 -2,-0.2 0.917 140.8 -9.3 -77.4 -45.7 27.7 43.3 20.9 43 43 A V H <5S+ 0 0 35 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.107 123.9 49.0-145.2 26.0 30.8 41.4 19.7 44 44 A G S X S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.875 124.5 47.5 -45.7 -54.8 29.0 35.5 23.1 46 46 A I H > S+ 0 0 0 -6,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.963 115.9 38.2 -61.8 -58.5 25.9 36.3 21.1 47 47 A P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.898 118.4 51.4 -63.5 -34.9 27.2 36.9 17.6 48 48 A S H X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.933 111.0 47.0 -65.5 -44.4 29.8 34.1 18.0 49 49 A K H X S+ 0 0 14 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.858 109.0 55.2 -66.7 -33.0 27.1 31.6 19.1 50 50 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 5,-0.2 0.948 112.5 43.0 -63.5 -46.0 24.8 32.6 16.3 51 51 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.893 114.6 50.5 -66.4 -39.8 27.6 31.9 13.8 52 52 A L H X S+ 0 0 4 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.942 111.4 46.5 -65.4 -46.2 28.6 28.6 15.5 53 53 A E H X S+ 0 0 25 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.940 118.5 41.1 -61.3 -48.5 25.1 27.2 15.6 54 54 A T H X S+ 0 0 8 -4,-2.0 4,-1.7 -5,-0.3 -2,-0.2 0.898 113.6 50.4 -70.2 -41.7 24.3 28.1 12.0 55 55 A T H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.835 105.0 59.7 -67.3 -30.3 27.7 27.1 10.5 56 56 A E H X S+ 0 0 12 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.916 105.8 46.9 -63.2 -41.8 27.5 23.7 12.2 57 57 A R H X S+ 0 0 66 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.893 113.6 48.3 -66.9 -39.0 24.3 22.8 10.5 58 58 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.930 111.5 50.6 -65.4 -44.8 25.7 23.9 7.1 59 59 A Y H X S+ 0 0 28 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.920 110.1 48.8 -59.7 -46.4 28.8 21.9 7.7 60 60 A E H X S+ 0 0 53 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.888 109.5 52.5 -63.1 -38.1 26.9 18.8 8.6 61 61 A A H < S+ 0 0 3 -4,-1.9 4,-0.2 2,-0.2 9,-0.2 0.905 111.8 47.1 -63.3 -40.6 24.8 19.1 5.5 62 62 A K H < S+ 0 0 87 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.914 112.5 47.8 -66.7 -44.7 27.9 19.4 3.4 63 63 A K H < S- 0 0 136 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.870 125.7 -95.9 -64.6 -36.3 29.6 16.4 5.0 64 64 A G < - 0 0 42 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 -0.172 27.2-113.9 126.1 139.9 26.5 14.4 4.6 65 65 A L > - 0 0 22 -4,-0.2 3,-2.0 3,-0.2 2,-0.1 -0.858 36.1-105.4-106.3 137.9 23.4 13.5 6.6 66 66 A L T 3 S+ 0 0 79 -2,-0.4 445,-0.1 1,-0.3 467,-0.1 -0.369 105.9 13.6 -59.5 132.0 22.6 9.9 7.7 67 67 A G T 3 S+ 0 0 5 1,-0.2 462,-3.2 461,-0.1 2,-0.3 0.529 119.7 73.5 80.3 6.3 19.8 8.5 5.6 68 68 A A E < -F 528 0B 14 -3,-2.0 2,-0.5 460,-0.3 -3,-0.2 -0.944 65.2-137.2-147.3 168.4 19.9 11.2 3.0 69 69 A K E -F 527 0B 105 458,-2.3 458,-2.6 -2,-0.3 2,-0.8 -0.962 16.0-155.7-130.4 111.0 21.8 12.6 0.0 70 70 A V E -F 526 0B 31 -2,-0.5 456,-0.2 -9,-0.2 3,-0.1 -0.805 3.1-159.8 -90.5 112.2 22.2 16.4 -0.1 71 71 A K - 0 0 155 454,-1.7 2,-0.3 -2,-0.8 -1,-0.2 0.914 67.9 -12.2 -56.9 -49.2 22.8 17.3 -3.8 72 72 A G - 0 0 18 453,-0.5 452,-0.7 -3,-0.1 453,-0.5 -0.997 49.1-156.9-156.9 153.4 24.3 20.7 -3.1 73 73 A V E -G 523 0C 33 -2,-0.3 2,-0.5 450,-0.2 450,-0.2 -0.969 15.6-170.9-134.7 115.5 25.0 23.2 -0.3 74 74 A E E -G 522 0C 98 448,-3.2 448,-2.4 -2,-0.4 2,-0.1 -0.934 20.4-128.9-113.3 123.4 25.6 26.8 -1.3 75 75 A L E -G 521 0C 45 -2,-0.5 2,-0.4 446,-0.2 446,-0.3 -0.431 14.6-167.2 -70.4 138.6 26.7 29.4 1.3 76 76 A D > + 0 0 42 444,-2.7 4,-2.2 1,-0.1 3,-0.4 -0.773 9.4 179.7-123.7 79.7 24.8 32.7 1.5 77 77 A L H > S+ 0 0 21 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 0.868 77.8 54.8 -53.3 -42.6 27.2 34.7 3.6 78 78 A P H > S+ 0 0 96 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.933 111.2 45.2 -59.1 -42.6 25.0 37.9 3.6 79 79 A A H > S+ 0 0 35 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.865 111.9 53.0 -67.3 -36.1 22.0 35.9 4.9 80 80 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 440,-0.3 -1,-0.2 0.937 113.3 42.8 -63.7 -46.0 24.3 34.2 7.5 81 81 A M H X S+ 0 0 25 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.828 109.1 59.0 -69.7 -31.8 25.5 37.6 8.7 82 82 A A H X S+ 0 0 32 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.900 105.5 49.1 -64.1 -40.5 21.9 39.0 8.6 83 83 A H H X S+ 0 0 25 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.942 111.3 49.6 -63.4 -47.3 20.8 36.3 11.0 84 84 A K H X S+ 0 0 7 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.932 112.8 46.9 -55.7 -49.2 23.7 37.1 13.3 85 85 A D H X S+ 0 0 91 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.864 110.7 51.6 -63.0 -38.3 22.9 40.8 13.2 86 86 A K H X S+ 0 0 138 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.873 110.0 49.5 -67.9 -36.9 19.2 40.3 13.8 87 87 A V H X S+ 0 0 6 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.938 111.9 48.0 -66.4 -46.8 20.0 38.1 16.9 88 88 A V H X S+ 0 0 23 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.929 111.5 51.0 -58.9 -45.8 22.3 40.8 18.3 89 89 A Q H X S+ 0 0 111 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.900 109.7 49.4 -59.5 -43.0 19.8 43.5 17.7 90 90 A A H X S+ 0 0 27 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.897 113.3 47.6 -64.1 -40.7 17.0 41.5 19.4 91 91 A N H X S+ 0 0 24 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.938 112.5 46.3 -66.4 -49.1 19.3 40.9 22.4 92 92 A T H X S+ 0 0 18 -4,-2.8 4,-1.6 1,-0.2 -56,-0.3 0.879 112.7 51.5 -63.2 -35.7 20.5 44.5 22.8 93 93 A Q H X S+ 0 0 100 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.808 105.1 58.4 -69.3 -29.1 16.9 45.7 22.4 94 94 A G H X S+ 0 0 30 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.909 104.2 48.8 -66.5 -42.6 16.0 43.3 25.2 95 95 A V H X S+ 0 0 6 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.891 110.0 52.5 -63.9 -39.0 18.4 44.9 27.7 96 96 A E H X S+ 0 0 105 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.930 109.3 49.9 -61.2 -45.4 17.0 48.3 26.8 97 97 A F H X S+ 0 0 137 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.934 110.2 50.1 -58.0 -48.7 13.5 47.0 27.5 98 98 A L H X S+ 0 0 70 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.831 108.5 52.6 -61.7 -34.9 14.5 45.6 30.8 99 99 A F H <>S+ 0 0 5 -4,-2.0 5,-2.9 2,-0.2 4,-0.3 0.951 112.7 43.5 -66.5 -48.9 16.2 48.9 31.9 100 100 A K H ><5S+ 0 0 149 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.916 113.2 52.2 -61.9 -44.0 13.0 50.9 31.1 101 101 A K H 3<5S+ 0 0 147 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.856 114.2 43.6 -61.3 -34.3 10.8 48.3 32.8 102 102 A N T 3<5S- 0 0 38 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.332 114.0-114.6 -95.2 7.7 13.0 48.4 35.9 103 103 A G T < 5 + 0 0 40 -3,-1.3 2,-0.5 -4,-0.3 -76,-0.3 0.837 59.0 157.2 64.8 35.2 13.3 52.2 36.0 104 104 A I < - 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