==== 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 (NAD(A)-CHOH(D)) 18-JAN-95 1IDC . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.M.BOLDUC,D.H.DYER,W.G.SCOTT,P.SINGER,R.M.SWEET,D.E.KOSHLAN . 414 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19376.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 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 . 1 0.2 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 . 33 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 0 0 0 1 0 3 1 0 0 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 3 1 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 PARALLEL BRIDGES PER LADDER . 1 1 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 0 0 0 1 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 3 A S 0 0 149 0, 0.0 75,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.6 94.0 40.7 10.3 2 4 A K + 0 0 115 2,-0.0 2,-0.4 0, 0.0 74,-0.0 0.128 360.0 115.5-123.9 21.3 97.1 42.8 9.4 3 5 A V - 0 0 31 61,-0.0 2,-0.8 64,-0.0 63,-0.1 -0.765 54.0-141.4 -88.0 139.9 97.7 45.7 11.8 4 6 A V - 0 0 132 -2,-0.4 61,-0.4 61,-0.4 3,-0.1 -0.884 17.6-145.2-107.9 105.7 101.0 45.5 13.9 5 7 A V - 0 0 73 -2,-0.8 2,-0.4 59,-0.1 59,-0.1 -0.332 21.1-109.8 -52.0 134.3 100.4 46.8 17.3 6 8 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 -0.615 25.7-150.5 -63.9 126.3 103.2 48.7 19.1 7 9 A A S S+ 0 0 107 -2,-0.4 2,-0.5 -3,-0.1 -2,-0.0 0.804 85.0 58.9 -71.6 -32.4 104.2 46.2 21.8 8 10 A Q S S+ 0 0 137 -3,-0.0 2,-0.2 2,-0.0 0, 0.0 -0.846 93.4 61.7 -92.1 133.4 105.3 49.1 24.1 9 11 A G - 0 0 16 -2,-0.5 2,-0.3 17,-0.1 52,-0.1 -0.457 66.0-119.1 129.3 159.0 102.4 51.3 24.7 10 12 A K E -a 25 0A 141 14,-2.4 16,-2.2 -2,-0.2 2,-0.2 -0.897 29.4-102.4-133.0 157.5 99.0 51.4 26.1 11 13 A K E -a 26 0A 84 -2,-0.3 82,-0.1 14,-0.2 16,-0.1 -0.538 39.4-106.2 -82.0 144.8 95.5 52.2 24.7 12 14 A I - 0 0 3 81,-0.7 2,-0.4 14,-0.6 9,-0.2 -0.437 46.3-150.8 -65.6 143.6 93.9 55.6 25.4 13 15 A T E -M 20 0B 53 7,-2.5 7,-3.4 -2,-0.1 2,-0.6 -0.899 10.3-138.6-122.8 149.6 91.2 54.8 28.0 14 16 A L E -M 19 0B 52 -2,-0.4 2,-0.7 5,-0.3 5,-0.3 -0.949 12.0-172.8-115.8 119.9 87.9 56.4 28.7 15 17 A Q E > -M 18 0B 94 3,-2.9 3,-0.9 -2,-0.6 -2,-0.0 -0.923 67.0 -61.5-111.1 96.5 87.0 56.9 32.3 16 18 A N T 3 S- 0 0 165 -2,-0.7 3,-0.1 1,-0.3 -1,-0.0 0.707 121.9 -15.1 23.3 73.1 83.4 58.1 32.1 17 19 A G T 3 S+ 0 0 69 1,-0.4 2,-0.3 311,-0.1 -1,-0.3 0.507 127.0 86.0 90.1 5.3 83.5 61.3 30.2 18 20 A K E < S-M 15 0B 154 -3,-0.9 -3,-2.9 2,-0.0 -1,-0.4 -0.965 70.9-133.2-133.0 149.5 87.3 61.6 30.7 19 21 A L E -M 14 0B 53 -2,-0.3 2,-0.6 -5,-0.3 -5,-0.3 -0.781 10.9-148.4 -94.8 154.4 90.1 60.1 28.7 20 22 A N E -M 13 0B 80 -7,-3.4 -7,-2.5 -2,-0.4 345,-0.0 -0.956 17.2-164.7-129.3 96.8 93.0 58.4 30.5 21 23 A V - 0 0 32 -2,-0.6 -9,-0.1 -9,-0.2 -10,-0.1 -0.787 9.3-142.8 -86.9 123.1 96.0 59.0 28.4 22 24 A P - 0 0 24 0, 0.0 -10,-0.0 0, 0.0 -1,-0.0 -0.332 28.0-110.1 -65.3 170.4 99.0 56.8 29.3 23 25 A E S S+ 0 0 128 1,-0.3 37,-2.4 36,-0.1 -2,-0.0 0.789 120.2 37.4 -70.8 -30.7 102.4 58.3 29.1 24 26 A N S S- 0 0 21 35,-0.2 -14,-2.4 37,-0.1 -1,-0.3 -0.621 84.9-178.6-122.2 75.0 102.9 56.1 26.1 25 27 A P E -a 10 0A 0 0, 0.0 37,-3.1 0, 0.0 2,-0.6 -0.401 26.4-129.7 -73.8 146.4 99.5 56.0 24.1 26 28 A I E -ab 11 62A 5 -16,-2.2 -14,-0.6 35,-0.2 69,-0.3 -0.887 28.5-173.5 -92.7 127.1 99.1 54.0 21.0 27 29 A I E - b 0 63A 0 35,-1.6 37,-1.8 -2,-0.6 69,-0.2 -0.990 15.3-140.2-122.8 113.6 97.6 56.3 18.4 28 30 A P E - b 0 64A 0 0, 0.0 69,-1.8 0, 0.0 2,-0.4 -0.401 19.2-171.8 -59.8 144.3 96.5 54.8 15.1 29 31 A Y E -cb 97 65A 36 35,-2.2 37,-2.6 67,-0.2 2,-0.5 -0.983 19.2-146.6-144.0 136.7 97.3 56.8 11.9 30 32 A I E -cb 98 66A 2 67,-1.4 69,-1.4 -2,-0.4 37,-0.2 -0.902 19.9-140.8 -93.0 125.7 96.1 56.0 8.4 31 33 A E - 0 0 30 35,-0.9 9,-0.3 -2,-0.5 -1,-0.1 0.925 36.1-129.2 -62.8 -44.0 98.9 57.2 6.2 32 34 A G - 0 0 3 36,-0.2 69,-0.2 67,-0.2 5,-0.2 0.095 15.2 -95.6 108.6 136.7 96.6 58.7 3.5 33 35 A D S > S+ 0 0 9 67,-3.2 3,-2.7 3,-0.2 2,-0.3 -0.267 88.6 7.2 -77.0 172.8 96.6 58.2 -0.3 34 36 A G T > S+ 0 0 28 1,-0.3 3,-0.6 2,-0.2 306,-0.2 -0.381 143.7 2.0 66.6-111.8 98.2 60.4 -2.9 35 37 A I T >> S+ 0 0 11 304,-2.0 3,-3.4 -2,-0.3 4,-1.9 0.443 106.9 97.7 -87.3 -1.7 100.3 63.0 -1.1 36 38 A G H <> S+ 0 0 0 -3,-2.7 4,-2.1 1,-0.3 -1,-0.2 0.893 76.0 67.8 -47.5 -33.8 99.3 61.4 2.3 37 39 A V H <4 S+ 0 0 60 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.660 105.5 35.2 -63.4 -25.5 102.7 59.8 1.7 38 40 A D H <> S+ 0 0 15 -3,-3.4 4,-1.7 2,-0.1 -1,-0.2 0.791 119.9 43.6 -98.0 -37.7 104.6 63.2 2.1 39 41 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.981 103.9 62.2 -74.2 -45.1 102.6 65.0 4.8 40 42 A T H X S+ 0 0 2 -4,-2.1 4,-2.5 -9,-0.3 -1,-0.2 0.843 108.5 43.5 -56.6 -40.3 102.1 62.1 7.2 41 43 A P H > S+ 0 0 64 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.978 111.0 54.0 -61.7 -50.6 105.8 61.7 7.8 42 44 A A H X S+ 0 0 7 -4,-1.7 4,-1.8 1,-0.3 -2,-0.2 0.856 114.4 45.1 -54.6 -30.4 106.3 65.5 8.1 43 45 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.4 0.963 109.8 51.7 -79.3 -42.0 103.6 65.2 10.7 44 46 A L H X S+ 0 0 34 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.912 114.6 44.9 -58.4 -45.0 105.1 62.1 12.5 45 47 A K H X S+ 0 0 107 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.988 113.4 46.3 -62.0 -62.6 108.4 63.8 12.8 46 48 A V H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.3 -2,-0.2 0.733 117.1 45.5 -66.7 -21.0 107.2 67.3 14.0 47 49 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.874 110.8 52.5 -81.2 -38.2 104.8 65.7 16.6 48 50 A D H X S+ 0 0 54 -4,-2.4 4,-1.1 -5,-0.4 -2,-0.2 0.934 111.8 47.4 -65.9 -32.4 107.5 63.2 17.8 49 51 A A H X S+ 0 0 26 -4,-2.6 4,-2.8 1,-0.2 3,-0.5 0.950 107.4 59.5 -62.1 -49.1 109.7 66.3 18.2 50 52 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 5,-0.2 0.829 107.7 41.3 -53.6 -39.3 106.9 68.1 20.1 51 53 A V H X S+ 0 0 4 -4,-2.1 4,-1.6 1,-0.2 8,-0.4 0.781 114.6 52.4 -85.2 -18.5 106.5 65.5 22.9 52 54 A E H <>S+ 0 0 111 -4,-1.1 5,-0.6 -3,-0.5 4,-0.4 0.881 112.3 45.4 -77.7 -40.6 110.2 65.1 23.3 53 55 A K H ><5S+ 0 0 95 -4,-2.8 3,-1.3 3,-0.1 -2,-0.2 0.979 121.8 36.5 -64.3 -71.3 110.6 68.9 23.6 54 56 A A H 3<5S+ 0 0 28 -4,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.841 124.4 33.1 -55.8 -48.5 107.7 69.4 26.1 55 57 A Y T ><5S- 0 0 22 -4,-1.6 3,-2.0 -5,-0.2 -1,-0.2 0.370 102.0-127.0 -95.5 12.8 107.6 66.3 28.5 56 58 A K T < 5S- 0 0 143 -3,-1.3 -4,-0.2 -4,-0.4 -3,-0.1 0.935 70.9 -45.3 41.9 66.6 111.4 66.0 28.3 57 59 A G T 3 + 0 0 1 -2,-0.4 3,-1.0 14,-0.1 -36,-0.2 -0.839 57.3 26.5-159.4 168.1 91.8 52.8 4.5 69 71 A G T >> S- 0 0 0 12,-2.7 4,-1.0 -2,-0.3 3,-1.0 -0.342 124.0 -15.2 78.5-148.4 91.5 54.0 0.9 70 72 A E H 3> S+ 0 0 80 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.772 131.2 64.3 -61.3 -33.1 93.8 52.8 -1.7 71 73 A K H <4 S+ 0 0 71 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.774 97.6 57.0 -74.8 -16.9 96.4 51.4 0.9 72 74 A S H X>>S+ 0 0 0 -3,-1.0 4,-3.3 1,-0.2 3,-1.7 0.934 103.1 53.7 -74.9 -36.4 93.8 48.8 2.0 73 75 A T H 3<5S+ 0 0 5 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.792 110.5 46.0 -66.4 -24.9 93.4 47.4 -1.6 74 76 A Q T 3<5S+ 0 0 147 -4,-1.0 -1,-0.3 3,-0.1 -2,-0.2 0.417 124.2 34.5 -95.4 3.0 97.2 46.9 -1.9 75 77 A V T <45S+ 0 0 46 -3,-1.7 -2,-0.2 -4,-0.2 -3,-0.2 0.687 134.3 12.9-119.6 -48.2 97.3 45.2 1.7 76 78 A Y T <5S- 0 0 67 -4,-3.3 2,-0.3 1,-0.3 -3,-0.2 0.855 123.2 -35.2 -95.4 -65.9 94.1 43.3 2.2 77 79 A G > < - 0 0 20 -5,-0.8 3,-2.8 3,-0.3 -1,-0.3 -0.965 52.2-104.5-165.4 155.0 92.3 43.0 -1.2 78 80 A Q T 3 S+ 0 0 138 1,-0.3 -5,-0.2 -2,-0.3 -4,-0.1 0.443 119.3 43.4 -69.4 4.1 91.6 45.0 -4.4 79 81 A D T 3 S+ 0 0 119 -7,-0.1 2,-0.7 -6,-0.1 -1,-0.3 0.159 87.2 99.6-133.6 -1.7 88.2 45.8 -3.3 80 82 A V < + 0 0 47 -3,-2.8 -3,-0.3 1,-0.2 -4,-0.2 -0.884 28.1 155.5-106.0 115.9 88.6 46.7 0.3 81 83 A W S S+ 0 0 41 -2,-0.7 -12,-2.7 1,-0.4 -1,-0.2 0.454 77.1 25.1-111.6 -13.5 88.7 50.4 0.9 82 84 A L S S- 0 0 40 -14,-0.2 -1,-0.4 -10,-0.1 2,-0.2 -0.842 78.1-152.6-147.5 103.2 87.5 50.5 4.5 83 85 A P >> - 0 0 10 0, 0.0 4,-1.0 0, 0.0 3,-0.9 -0.628 21.0-127.4 -70.3 151.0 88.2 47.3 6.6 84 86 A A H >> S+ 0 0 70 1,-0.3 4,-2.1 -2,-0.2 3,-0.6 0.884 110.3 64.0 -62.4 -36.1 85.9 46.5 9.5 85 87 A E H 3> S+ 0 0 35 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.798 94.1 59.8 -63.9 -24.4 89.0 46.2 11.6 86 88 A T H <> S+ 0 0 0 -3,-0.9 4,-1.9 2,-0.2 -1,-0.3 0.910 105.4 48.9 -70.4 -34.5 89.7 49.9 11.0 87 89 A L H - 0 0 32 0, 0.0 3,-0.5 0, 0.0 5,-0.2 -0.356 17.1-143.4 -72.2 141.6 87.3 55.1 -6.6 105 107 A V T 3 S+ 0 0 140 1,-0.2 5,-0.0 2,-0.1 4,-0.0 -0.565 82.7 44.4 -93.0 167.9 84.7 56.2 -9.0 106 108 A G T 3 S+ 0 0 91 -2,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.354 98.6 76.2 85.5 -9.5 83.1 53.4 -11.0 107 109 A G S < S- 0 0 51 -3,-0.5 -2,-0.1 2,-0.2 -1,-0.1 0.413 101.2-103.9-122.8 7.9 82.6 51.0 -8.0 108 110 A G S S+ 0 0 76 1,-0.3 2,-0.5 -4,-0.1 -3,-0.1 0.229 70.8 142.5 90.8 -8.6 79.6 52.0 -5.7 109 111 A I - 0 0 49 -5,-0.2 -1,-0.3 1,-0.0 -2,-0.2 -0.505 42.2-146.3 -70.1 108.7 81.9 53.4 -3.0 110 112 A R - 0 0 130 -2,-0.5 2,-0.2 1,-0.2 5,-0.1 -0.207 52.8 -57.2 -60.8 170.1 80.4 56.6 -1.3 111 113 A S >> - 0 0 65 1,-0.2 4,-2.6 3,-0.1 3,-0.5 -0.311 54.5-143.2 -56.9 116.0 82.9 59.4 -0.2 112 114 A L H 3> S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.793 95.3 55.1 -58.8 -25.3 85.2 57.4 2.2 113 115 A N H 3> S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 111.6 44.3 -76.1 -35.8 85.6 60.3 4.7 114 116 A V H <> S+ 0 0 17 -3,-0.5 4,-1.9 2,-0.2 5,-0.3 0.915 108.9 59.2 -73.7 -34.5 81.9 60.6 5.0 115 117 A A H X S+ 0 0 22 -4,-2.6 4,-2.4 2,-0.2 3,-0.3 0.963 108.1 44.7 -57.0 -49.0 81.8 56.8 5.3 116 118 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.3 0.971 110.8 53.7 -56.6 -59.9 84.1 57.0 8.4 117 119 A R H <>S+ 0 0 9 -4,-2.5 5,-1.7 1,-0.2 -1,-0.2 0.824 116.1 39.1 -42.9 -36.4 82.1 59.9 10.0 118 120 A Q H ><5S+ 0 0 65 -4,-1.9 3,-1.0 -3,-0.3 -1,-0.2 0.956 114.3 49.2 -86.4 -48.0 78.8 58.0 9.7 119 121 A E H 3<5S+ 0 0 123 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.759 121.9 35.7 -64.9 -26.4 79.8 54.5 10.6 120 122 A L T 3<5S- 0 0 22 -4,-2.0 209,-0.3 -5,-0.3 -1,-0.3 0.399 107.5-128.4 -99.5 -7.8 81.7 55.6 13.7 121 123 A D T < 5 + 0 0 57 -3,-1.0 2,-2.2 -5,-0.3 207,-0.4 0.884 38.4 173.6 53.6 55.2 79.2 58.3 14.4 122 124 A L < + 0 0 0 -5,-1.7 205,-0.3 -6,-0.3 -1,-0.2 -0.541 7.0 177.2 -86.7 76.4 81.6 61.1 14.8 123 125 A Y + 0 0 31 -2,-2.2 30,-2.6 -3,-0.2 31,-0.4 0.814 56.5 60.7 -60.2 -36.6 78.7 63.6 15.1 124 126 A I E -EF 152 326A 12 202,-2.4 202,-1.6 28,-0.2 2,-0.5 -0.670 61.7-167.7 -86.4 140.1 80.7 67.0 15.7 125 127 A C E -E 151 0A 0 26,-1.3 26,-1.6 200,-0.3 2,-0.7 -0.927 14.3-162.1-129.6 104.5 83.2 68.0 12.8 126 128 A L E +E 150 0A 22 -2,-0.5 198,-2.1 198,-0.3 24,-0.2 -0.762 15.0 174.5-104.0 114.1 85.3 70.8 14.4 127 129 A R E -E 149 0A 19 22,-2.6 22,-2.6 -2,-0.7 196,-0.1 -0.922 12.8-160.9-125.7 96.9 87.1 72.9 12.0 128 130 A P E -E 148 0A 29 0, 0.0 20,-0.2 0, 0.0 2,-0.2 -0.319 7.5-170.8 -57.0 160.8 89.0 75.9 13.5 129 131 A V E +E 147 0A 11 18,-1.6 18,-2.7 192,-0.1 2,-0.3 -0.710 18.5 145.1-167.8 103.1 89.9 78.7 11.1 130 132 A R E -E 146 0A 77 16,-0.2 2,-0.6 -2,-0.2 16,-0.2 -0.950 48.1 -95.2-138.2 161.4 92.2 81.6 12.0 131 133 A Y - 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