==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JUN-06 2IV0 . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR R.STOKKE,M.KARLSTROM,N.YANG,I.LEIROS,R.LADENSTEIN, . 824 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 7.5 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 . 4 0.5 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 . 63 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.5 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 2 1 0 3 1 1 4 0 0 2 6 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 4 4 0 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 PARALLEL BRIDGES PER LADDER . 2 3 4 0 0 1 2 0 1 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 . 3 0 1 0 0 0 0 0 0 2 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 0 117 0, 0.0 2,-0.3 0, 0.0 86,-0.0 0.000 360.0 360.0 360.0 141.9 -15.6 18.8 13.7 2 2 A Q - 0 0 54 5,-0.0 2,-0.5 0, 0.0 84,-0.1 -0.695 360.0-154.7 -97.6 150.2 -18.2 17.3 11.3 3 3 A Y - 0 0 41 -2,-0.3 81,-0.0 1,-0.2 0, 0.0 -0.954 7.1-169.9-127.0 119.1 -19.9 13.9 11.7 4 4 A E S S+ 0 0 136 -2,-0.5 -1,-0.2 1,-0.1 3,-0.0 0.979 86.7 4.1 -68.0 -61.2 -21.3 12.0 8.7 5 5 A K S S+ 0 0 127 2,-0.0 2,-0.3 71,-0.0 -1,-0.1 0.348 124.8 50.2-114.1 10.6 -23.3 9.2 10.3 6 6 A V - 0 0 22 60,-0.0 60,-0.1 0, 0.0 -3,-0.0 -0.935 60.3-144.0-144.4 161.7 -23.0 9.9 14.1 7 7 A K - 0 0 100 -2,-0.3 58,-0.2 58,-0.2 3,-0.1 -0.979 22.3-116.9-130.8 140.3 -23.4 12.5 16.5 8 8 A P - 0 0 49 0, 0.0 56,-0.1 0, 0.0 55,-0.1 -0.412 49.2 -83.2 -75.3 158.6 -21.5 13.4 19.6 9 9 A P - 0 0 36 0, 0.0 3,-0.4 0, 0.0 55,-0.1 -0.162 28.6-130.5 -68.3 154.8 -23.3 13.2 22.9 10 10 A E S S+ 0 0 188 1,-0.2 52,-0.0 -3,-0.1 0, 0.0 0.821 91.8 42.0 -67.4 -36.0 -25.4 16.1 24.3 11 11 A N S S+ 0 0 74 2,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.039 88.4 79.5-119.2 14.9 -24.0 16.4 27.8 12 12 A G - 0 0 26 -3,-0.4 2,-0.3 50,-0.1 49,-0.1 -0.484 61.4-118.5-115.1-167.4 -20.3 16.2 28.2 13 13 A E B -a 28 0A 103 14,-1.8 16,-2.3 -2,-0.2 2,-0.3 -0.957 28.9-108.8-130.1 148.1 -17.2 18.3 27.8 14 14 A K - 0 0 104 -2,-0.3 2,-0.3 14,-0.2 77,-0.1 -0.554 29.9-121.8 -69.5 133.5 -14.1 17.8 25.6 15 15 A I - 0 0 3 76,-0.4 2,-0.3 14,-0.4 9,-0.2 -0.596 37.7-140.6 -67.5 141.5 -10.9 16.9 27.3 16 16 A R E -B 23 0B 103 7,-3.2 7,-3.0 -2,-0.3 2,-0.6 -0.808 13.6-149.9-111.8 149.6 -8.4 19.6 26.3 17 17 A Y E +B 22 0B 86 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.905 30.8 157.0-120.5 103.5 -4.8 19.6 25.4 18 18 A E E > -B 21 0B 97 3,-2.6 3,-1.9 -2,-0.6 2,-0.1 -0.986 61.4 -19.9-137.0 141.8 -2.9 22.8 26.4 19 19 A N T 3 S- 0 0 161 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.416 129.7 -34.6 45.1-134.7 0.8 23.3 27.1 20 20 A G T 3 S+ 0 0 62 -2,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.234 121.2 105.1 -88.0 20.6 2.0 19.8 27.7 21 21 A K E < -B 18 0B 154 -3,-1.9 -3,-2.6 304,-0.0 2,-0.3 -0.841 63.9-142.1-127.8 138.5 -1.2 18.9 29.4 22 22 A L E -B 17 0B 39 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.637 21.4-157.0 -69.1 136.0 -4.5 17.1 29.3 23 23 A I E -B 16 0B 67 -7,-3.0 -7,-3.2 -2,-0.3 338,-0.0 -0.967 15.8-172.2-124.1 111.6 -7.3 19.1 31.0 24 24 A V - 0 0 38 -2,-0.5 -9,-0.1 -9,-0.2 -10,-0.1 -0.923 8.0-153.8-115.7 117.7 -9.9 16.6 32.0 25 25 A P - 0 0 20 0, 0.0 -10,-0.0 0, 0.0 -12,-0.0 -0.201 35.1-100.7 -76.2 179.7 -13.3 17.7 33.3 26 26 A D S S+ 0 0 96 1,-0.2 34,-3.4 33,-0.1 -14,-0.0 0.802 121.0 39.8 -63.9 -34.3 -15.6 15.6 35.7 27 27 A N S S+ 0 0 47 32,-0.2 -14,-1.8 34,-0.1 -1,-0.2 -0.471 80.3 176.1-117.1 57.6 -17.7 14.6 32.6 28 28 A P B -a 13 0A 0 0, 0.0 34,-2.7 0, 0.0 2,-0.6 -0.326 30.3-128.5 -65.0 138.7 -15.3 13.9 29.7 29 29 A I E -c 62 0C 4 -16,-2.3 -14,-0.4 32,-0.2 34,-0.2 -0.778 31.3-173.5 -81.7 126.8 -16.8 12.7 26.5 30 30 A I E -c 63 0C 0 32,-2.1 34,-1.8 -2,-0.6 64,-0.2 -0.967 14.2-142.2-125.2 122.7 -14.8 9.6 25.5 31 31 A P E +c 64 0C 0 0, 0.0 64,-1.6 0, 0.0 2,-0.3 -0.405 26.4 168.4 -72.3 152.3 -15.3 7.8 22.1 32 32 A Y E -cd 65 95C 32 32,-2.0 34,-2.3 62,-0.2 2,-0.3 -0.949 18.9-154.8-152.2 165.3 -15.1 4.0 22.0 33 33 A F E - d 0 96C 1 62,-1.5 64,-2.0 -2,-0.3 34,-0.2 -0.974 18.6-138.7-149.4 142.4 -15.9 1.3 19.6 34 34 A E - 0 0 40 32,-0.4 9,-0.2 -2,-0.3 7,-0.1 0.877 38.4-166.7 -64.3 -38.1 -16.8 -2.3 20.1 35 35 A G - 0 0 8 33,-0.3 64,-0.2 62,-0.2 -1,-0.1 -0.386 37.3 -25.0 77.2-162.4 -14.7 -3.6 17.2 36 36 A D S > S- 0 0 8 62,-2.3 3,-3.0 3,-0.1 33,-0.1 -0.421 97.5 -37.5 -89.5 158.2 -15.0 -7.2 15.9 37 37 A G T > S+ 0 0 22 1,-0.3 3,-1.6 2,-0.2 4,-0.3 -0.057 134.1 31.0 44.1-104.5 -16.2 -10.5 17.4 38 38 A I T >> S+ 0 0 2 297,-2.8 4,-2.1 1,-0.3 3,-1.5 0.740 108.4 76.7 -54.1 -28.3 -15.1 -10.6 21.1 39 39 A G H <> S+ 0 0 0 -3,-3.0 4,-1.4 1,-0.3 -1,-0.3 0.822 82.1 62.0 -52.8 -41.2 -15.4 -6.8 21.1 40 40 A K H <4 S+ 0 0 119 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.711 114.3 37.6 -62.2 -19.1 -19.2 -6.9 21.4 41 41 A D H <> S+ 0 0 24 -3,-1.5 4,-1.5 -4,-0.3 -2,-0.2 0.894 119.1 37.9 -92.2 -60.4 -18.7 -8.7 24.8 42 42 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.795 109.6 58.6 -72.5 -30.6 -15.6 -7.2 26.6 43 43 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 -5,-0.3 -1,-0.2 0.971 107.9 45.6 -64.4 -54.3 -16.1 -3.5 25.6 44 44 A P H > S+ 0 0 34 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.895 114.3 51.2 -51.9 -42.1 -19.6 -3.3 27.2 45 45 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.933 109.0 48.5 -61.5 -46.9 -18.2 -5.2 30.3 46 46 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.888 109.3 55.2 -61.1 -35.5 -15.3 -2.8 30.7 47 47 A I H X S+ 0 0 22 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.896 104.1 53.2 -63.9 -41.7 -17.8 0.1 30.3 48 48 A R H X S+ 0 0 76 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.918 113.1 44.3 -59.0 -43.5 -19.8 -1.3 33.2 49 49 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.891 112.6 49.8 -70.2 -40.7 -16.7 -1.4 35.4 50 50 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.902 107.5 54.9 -66.8 -38.4 -15.4 2.0 34.4 51 51 A D H X S+ 0 0 70 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.864 110.2 46.6 -57.8 -39.6 -18.9 3.7 35.0 52 52 A A H X S+ 0 0 15 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.882 113.2 48.3 -73.4 -36.9 -18.8 2.3 38.6 53 53 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.917 113.8 46.8 -67.3 -45.1 -15.2 3.4 39.2 54 54 A A H X>S+ 0 0 1 -4,-2.8 5,-3.0 1,-0.2 4,-0.5 0.938 113.3 48.7 -63.5 -47.7 -15.9 7.0 37.8 55 55 A D H ><5S+ 0 0 127 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.923 107.6 53.8 -58.2 -47.1 -19.1 7.3 39.9 56 56 A K H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.886 113.6 44.6 -59.9 -30.4 -17.5 6.2 43.1 57 57 A I H 3<5S- 0 0 47 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.443 123.1-101.2 -96.3 1.1 -14.8 8.9 42.5 58 58 A G T <<5S+ 0 0 52 -3,-1.6 2,-0.2 -4,-0.5 -3,-0.2 0.722 84.6 111.1 88.8 25.7 -17.3 11.7 41.5 59 59 A K < - 0 0 54 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.3 -0.741 48.6-153.3-125.5 168.3 -16.7 11.6 37.8 60 60 A E - 0 0 109 -34,-3.4 2,-0.7 -2,-0.2 -9,-0.1 -0.957 9.5-146.2-148.6 131.2 -18.7 10.5 34.7 61 61 A V - 0 0 6 -2,-0.3 2,-1.1 -34,-0.2 -32,-0.2 -0.841 10.7-155.0 -89.4 120.6 -17.6 9.3 31.3 62 62 A V E -c 29 0C 10 -34,-2.7 -32,-2.1 -2,-0.7 2,-0.1 -0.860 24.6-147.0 -93.9 100.3 -20.0 10.5 28.6 63 63 A W E -c 30 0C 44 -2,-1.1 2,-0.5 -34,-0.2 -34,-0.0 -0.361 11.6-157.9 -68.5 143.8 -19.4 7.7 26.1 64 64 A F E -c 31 0C 5 -34,-1.8 -32,-2.0 -2,-0.1 2,-0.5 -0.942 13.7-141.5-129.8 109.2 -19.5 8.4 22.3 65 65 A Q E +c 32 0C 68 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.568 30.5 160.4 -80.0 124.9 -20.2 5.4 20.2 66 66 A V - 0 0 0 -34,-2.3 -32,-0.4 -2,-0.5 2,-0.3 -0.799 27.1-122.0-131.4 176.2 -18.3 5.1 16.9 67 67 A Y + 0 0 53 -2,-0.3 2,-0.3 -34,-0.2 17,-0.2 -0.911 26.4 164.5-132.7 148.4 -17.6 2.2 14.7 68 68 A A + 0 0 2 -2,-0.3 3,-0.4 12,-0.1 -33,-0.3 -0.968 54.4 20.1-154.1 157.5 -14.8 0.2 13.1 69 69 A G S >> S- 0 0 0 10,-2.9 4,-2.4 -2,-0.3 3,-0.7 -0.427 121.9 -14.6 78.0-156.2 -14.5 -3.2 11.4 70 70 A E H 3> S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.871 135.4 55.5 -45.8 -56.4 -17.6 -5.1 10.0 71 71 A D H 3> S+ 0 0 53 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.862 111.9 45.8 -43.4 -46.7 -20.2 -2.8 11.8 72 72 A A H <>>S+ 0 0 0 -3,-0.7 4,-4.1 7,-0.2 5,-0.7 0.969 109.1 54.8 -62.2 -56.1 -18.5 0.1 10.2 73 73 A Y H X5S+ 0 0 125 -4,-2.4 4,-2.3 4,-0.2 -2,-0.2 0.892 112.4 43.1 -44.6 -50.5 -18.4 -1.6 6.8 74 74 A K H <5S+ 0 0 156 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.939 122.4 39.5 -63.0 -45.2 -22.2 -2.3 6.8 75 75 A L H <5S+ 0 0 71 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.848 138.5 9.3 -72.9 -33.5 -23.0 1.2 8.2 76 76 A Y H <5S- 0 0 43 -4,-4.1 -3,-0.2 2,-0.2 -2,-0.2 0.491 87.6-119.0-126.0 -14.7 -20.4 3.2 6.1 77 77 A G S < - 0 0 1 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.150 29.4-109.4 -66.4 168.3 -14.7 5.6 8.7 82 82 A D H > S+ 0 0 85 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.879 112.8 58.4 -64.9 -41.4 -13.9 9.3 9.0 83 83 A D H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.895 103.8 51.9 -63.0 -32.6 -16.0 9.9 12.0 84 84 A T H > S+ 0 0 0 2,-0.2 4,-1.9 -17,-0.2 -1,-0.2 0.926 112.8 44.0 -63.4 -50.6 -14.2 7.4 14.1 85 85 A L H X S+ 0 0 21 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.908 117.2 47.9 -60.8 -43.1 -10.8 8.9 13.3 86 86 A N H X S+ 0 0 34 -4,-2.9 4,-3.2 2,-0.2 5,-0.3 0.873 104.6 57.7 -66.5 -41.2 -12.2 12.4 13.9 87 87 A A H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 5,-0.4 0.950 110.5 44.9 -56.3 -47.0 -13.9 11.5 17.2 88 88 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.904 112.8 51.7 -62.3 -39.5 -10.5 10.5 18.6 89 89 A K H < S+ 0 0 82 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.922 118.3 36.7 -63.9 -43.1 -8.9 13.6 17.1 90 90 A E H < S+ 0 0 39 -4,-3.2 -2,-0.2 1,-0.1 -3,-0.2 0.955 126.3 35.5 -73.7 -50.5 -11.6 15.9 18.7 91 91 A F H < S- 0 0 12 -4,-3.1 -76,-0.4 -5,-0.3 -3,-0.2 0.550 92.9-145.7 -92.9 -8.6 -12.1 14.1 22.0 92 92 A R < + 0 0 59 -4,-2.2 235,-2.0 -5,-0.4 2,-0.3 0.136 68.6 58.4 83.4 -18.5 -8.4 12.9 22.4 93 93 A V E + e 0 327C 1 -64,-0.2 2,-0.3 233,-0.2 235,-0.2 -0.982 57.9 176.1-152.8 134.7 -8.8 9.5 24.1 94 94 A A E - 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