==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 26-NOV-12 4I3L . COMPND 2 MOLECULE: ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.ZHENG,Y.YAO,Z.LIU,L.DENG,J.L.ANGLIN,H.JIANG,B.V.V.PRASAD,Y . 725 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 39 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 265 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.8 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 1 1 3 1 3 3 0 0 0 2 2 1 0 4 4 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 5 1 0 0 0 2 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 2 0 4 2 1 0 2 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 0 2 0 0 0 0 0 1 1 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 4 A K 0 0 163 0, 0.0 31,-0.2 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 109.3 19.7 -45.9 -39.6 2 5 A I E -a 32 0A 42 29,-1.5 31,-3.7 309,-0.1 2,-0.5 -0.243 360.0-132.9 -51.6 128.5 17.5 -47.7 -37.1 3 6 A S E -a 33 0A 86 29,-0.2 31,-0.2 1,-0.2 309,-0.2 -0.798 25.2-179.8 -84.9 127.4 13.8 -47.5 -37.9 4 7 A G E - 0 0 3 29,-3.9 2,-0.3 -2,-0.5 30,-0.2 0.798 22.8-153.9 -94.6 -39.5 11.9 -46.5 -34.7 5 8 A G E +a 34 0A 21 28,-0.7 30,-1.6 2,-0.1 2,-0.4 -0.708 51.3 15.8 102.9-152.5 8.3 -46.5 -35.9 6 9 A S E +a 35 0A 26 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.451 66.0 164.3 -70.4 118.3 5.3 -44.6 -34.6 7 10 A V E -a 36 0A 1 28,-1.7 30,-3.2 -2,-0.4 2,-0.5 -0.974 28.4-147.2-138.7 121.6 6.3 -41.7 -32.3 8 11 A V E -ab 37 67A 0 58,-3.1 60,-2.3 -2,-0.4 2,-0.4 -0.760 24.0-175.5 -84.2 132.0 4.2 -38.7 -31.2 9 12 A E E -ab 38 68A 0 28,-2.4 30,-0.8 -2,-0.5 2,-0.4 -0.975 13.2-164.8-131.9 143.2 6.3 -35.6 -30.7 10 13 A M E -ab 39 69A 0 58,-1.9 60,-2.6 -2,-0.4 30,-0.2 -0.970 10.8-149.2-132.8 114.9 5.3 -32.2 -29.3 11 14 A Q E -a 40 0A 35 28,-1.9 30,-2.2 -2,-0.4 6,-0.1 -0.541 24.5-173.7 -80.8 150.4 7.5 -29.2 -29.8 12 15 A G - 0 0 0 -2,-0.2 2,-0.3 29,-0.1 60,-0.3 0.094 16.9 -54.2-120.4-135.4 7.3 -26.6 -27.0 13 16 A D >> - 0 0 5 58,-2.4 4,-1.4 29,-0.1 3,-0.7 -0.806 68.5 -30.8-126.0 157.1 8.4 -23.1 -25.9 14 17 A E H 3> S+ 0 0 10 -2,-0.3 4,-1.3 1,-0.2 258,-0.1 -0.071 118.1 0.9 51.9-121.6 11.4 -20.7 -25.3 15 18 A M H 3> S+ 0 0 0 256,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.906 133.4 52.4 -69.8 -42.2 14.7 -22.3 -24.2 16 19 A T H <> S+ 0 0 2 255,-0.9 4,-3.0 -3,-0.7 -1,-0.2 0.809 103.1 59.9 -63.4 -33.3 13.5 -25.9 -24.2 17 20 A R H X S+ 0 0 80 -4,-1.4 4,-2.0 254,-0.2 -1,-0.2 0.941 106.5 47.7 -57.1 -48.5 12.2 -25.4 -27.8 18 21 A I H X S+ 0 0 43 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.967 113.5 45.9 -57.7 -53.7 15.8 -24.6 -28.8 19 22 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.929 108.3 57.2 -59.6 -47.1 17.3 -27.6 -27.0 20 23 A W H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.908 106.5 49.8 -44.4 -50.5 14.6 -29.9 -28.4 21 24 A E H X S+ 0 0 70 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.873 112.2 46.6 -61.9 -42.6 15.6 -28.9 -31.9 22 25 A L H X>S+ 0 0 15 -4,-1.8 4,-3.4 2,-0.2 5,-0.6 0.901 107.2 58.3 -60.5 -46.4 19.3 -29.6 -31.3 23 26 A I H X>S+ 0 0 1 -4,-3.0 4,-1.4 -5,-0.2 5,-1.2 0.886 113.9 38.3 -55.3 -42.0 18.5 -32.9 -29.6 24 27 A K H X>S+ 0 0 10 -4,-1.9 5,-1.8 -5,-0.2 4,-0.8 0.971 117.2 50.1 -71.7 -54.1 16.8 -34.0 -32.8 25 28 A E H <5S+ 0 0 117 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.891 126.4 21.8 -49.3 -48.8 19.4 -32.4 -35.2 26 29 A K H <5S+ 0 0 62 -4,-3.4 -1,-0.2 -5,-0.1 -3,-0.2 0.781 133.8 23.0 -99.1 -28.6 22.5 -33.8 -33.5 27 30 A L H <X S- 0 0 0 -30,-0.1 4,-2.3 1,-0.1 5,-0.3 -0.234 70.2-110.7 -49.7 146.5 4.3 -23.6 -28.9 43 46 A I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.876 116.5 55.0 -50.7 -38.9 2.2 -21.0 -27.3 44 47 A E H >> S+ 0 0 118 2,-0.2 4,-3.0 1,-0.2 3,-0.7 0.986 110.9 39.8 -60.1 -65.0 1.7 -19.3 -30.7 45 48 A N H 3> S+ 0 0 50 1,-0.3 4,-1.2 2,-0.2 8,-0.3 0.804 113.1 56.6 -57.3 -35.2 0.3 -22.3 -32.6 46 49 A R H 3<>S+ 0 0 0 -4,-2.3 5,-3.9 2,-0.2 6,-0.3 0.897 113.3 41.0 -62.6 -38.8 -1.8 -23.4 -29.6 47 50 A D H X<5S+ 0 0 20 -4,-1.8 3,-3.1 -3,-0.7 -2,-0.2 0.969 110.1 55.2 -72.7 -54.3 -3.4 -20.0 -29.6 48 51 A A H 3<5S+ 0 0 75 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.698 115.1 42.3 -55.7 -20.5 -3.8 -19.7 -33.3 49 52 A T T ><5S- 0 0 47 -4,-1.2 3,-1.4 -5,-0.3 -1,-0.3 0.171 114.2-111.7-109.9 18.2 -5.7 -23.0 -33.3 50 53 A N T < 5S- 0 0 95 -3,-3.1 -3,-0.2 1,-0.2 -2,-0.1 0.910 73.3 -62.2 48.1 44.8 -7.8 -22.4 -30.1 51 54 A D T 3> + 0 0 78 -3,-1.4 4,-2.6 -6,-0.3 5,-0.2 0.910 63.7 59.6 -70.5 -46.0 -7.0 -27.6 -30.9 53 56 A V H > S+ 0 0 14 -8,-0.3 4,-3.2 1,-0.3 5,-0.3 0.909 102.1 53.6 -52.1 -46.8 -3.5 -28.9 -31.6 54 57 A T H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.948 109.3 48.4 -53.2 -47.6 -3.1 -29.9 -27.9 55 58 A K H X S+ 0 0 96 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.894 113.4 47.3 -63.6 -40.7 -6.3 -31.9 -28.2 56 59 A D H X S+ 0 0 80 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.910 108.2 54.1 -61.5 -47.3 -5.1 -33.6 -31.4 57 60 A A H X S+ 0 0 0 -4,-3.2 4,-1.5 2,-0.2 -2,-0.2 0.887 109.3 51.2 -55.5 -41.8 -1.7 -34.3 -29.9 58 61 A A H >X S+ 0 0 1 -4,-2.3 4,-2.3 -5,-0.3 3,-1.6 0.989 108.6 47.5 -56.2 -65.2 -3.5 -36.1 -27.0 59 62 A E H 3X S+ 0 0 102 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.740 110.5 56.0 -53.9 -27.0 -5.7 -38.3 -29.2 60 63 A A H 3X S+ 0 0 8 -4,-2.0 4,-2.8 2,-0.2 -1,-0.3 0.808 105.9 47.5 -76.5 -33.6 -2.6 -39.2 -31.2 61 64 A I H > - 0 0 84 -2,-0.1 4,-2.1 12,-0.0 3,-1.1 -0.879 55.0 -82.6-126.0 167.4 -1.2 -16.7 -16.6 77 80 A E H 3> S+ 0 0 167 -2,-0.3 4,-1.2 1,-0.3 0, 0.0 0.764 133.0 51.2 -35.7 -37.8 -2.7 -13.3 -16.8 78 81 A K H 3> S+ 0 0 165 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.893 108.0 48.5 -69.5 -46.0 0.9 -12.0 -17.3 79 82 A R H <> S+ 0 0 40 -3,-1.1 4,-1.8 1,-0.2 6,-0.2 0.858 106.7 58.1 -61.7 -41.5 1.8 -14.3 -20.2 80 83 A V H X>S+ 0 0 30 -4,-2.1 4,-1.6 1,-0.2 5,-1.1 0.885 103.7 52.3 -56.3 -46.5 -1.5 -13.4 -22.0 81 84 A E H <5S+ 0 0 131 -4,-1.2 3,-0.3 -5,-0.3 -1,-0.2 0.949 110.0 48.9 -52.4 -53.8 -0.5 -9.7 -22.0 82 85 A E H <5S+ 0 0 86 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.820 122.3 30.8 -57.0 -40.7 2.9 -10.5 -23.6 83 86 A F H <5S- 0 0 58 -4,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.503 99.5-125.6-103.0 -8.6 1.5 -12.8 -26.4 84 87 A K T <5 - 0 0 161 -4,-1.6 -3,-0.2 -3,-0.3 -4,-0.1 0.815 42.0-173.0 59.8 36.1 -1.8 -11.1 -26.9 85 88 A L < - 0 0 15 -5,-1.1 -1,-0.2 -6,-0.2 -41,-0.0 -0.239 28.9-134.7 -57.2 143.9 -3.5 -14.6 -26.3 86 89 A K S S+ 0 0 118 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.414 85.7 7.3 -86.1 4.3 -7.2 -14.7 -27.0 87 90 A Q S S- 0 0 116 -7,-0.0 2,-1.0 2,-0.0 -1,-0.1 -0.959 80.1-103.0-166.6 165.7 -7.7 -16.7 -23.8 88 91 A M - 0 0 109 -2,-0.3 2,-0.1 -3,-0.0 -11,-0.1 -0.874 53.5-149.8 -96.0 97.4 -5.8 -17.9 -20.7 89 92 A W - 0 0 25 -2,-1.0 -42,-0.0 1,-0.1 -2,-0.0 -0.441 11.0-110.1 -77.7 144.8 -5.5 -21.5 -22.0 90 93 A K - 0 0 168 1,-0.1 -1,-0.1 -2,-0.1 5,-0.0 -0.285 49.7 -81.3 -63.1 153.4 -5.3 -24.4 -19.7 91 94 A S > - 0 0 28 1,-0.1 4,-1.8 -17,-0.1 -1,-0.1 -0.280 31.4-131.7 -54.5 142.4 -2.0 -26.3 -19.5 92 95 A P H > S+ 0 0 0 0, 0.0 4,-3.9 0, 0.0 5,-0.3 0.931 109.7 51.8 -55.5 -52.2 -1.3 -28.7 -22.3 93 96 A N H > S+ 0 0 22 1,-0.2 4,-3.3 2,-0.2 5,-0.1 0.812 106.3 55.7 -58.3 -33.5 -0.3 -31.4 -19.8 94 97 A G H > S+ 0 0 27 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.940 114.8 37.4 -62.9 -49.9 -3.6 -30.8 -17.9 95 98 A T H X S+ 0 0 30 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.907 119.5 48.8 -69.0 -46.0 -5.6 -31.4 -21.1 96 99 A I H X S+ 0 0 1 -4,-3.9 4,-1.8 1,-0.2 5,-0.3 0.916 109.6 53.6 -55.1 -46.9 -3.2 -34.2 -22.2 97 100 A R H X S+ 0 0 83 -4,-3.3 4,-2.8 -5,-0.3 -2,-0.2 0.935 108.0 49.6 -57.5 -47.5 -3.5 -35.7 -18.7 98 101 A N H < S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.802 110.2 48.5 -65.4 -33.4 -7.2 -35.9 -18.8 99 102 A I H < S+ 0 0 49 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.844 123.5 31.1 -76.3 -34.7 -7.6 -37.5 -22.2 100 103 A L H < S- 0 0 21 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.703 91.0-161.4 -95.3 -24.5 -5.0 -40.3 -21.4 101 104 A G < + 0 0 31 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.360 35.3 110.4 70.2-159.6 -5.5 -40.7 -17.7 102 105 A G - 0 0 25 -4,-0.1 2,-0.4 153,-0.1 155,-0.2 -0.027 64.6 -68.2 88.8 175.5 -2.7 -42.4 -15.7 103 106 A T B -D 256 0A 7 153,-2.1 153,-2.8 70,-0.2 2,-0.1 -0.891 36.5-131.1-115.2 138.9 -0.0 -41.6 -13.2 104 107 A V - 0 0 26 -2,-0.4 2,-0.4 151,-0.3 151,-0.3 -0.472 17.8-158.0 -83.7 153.9 3.1 -39.4 -13.6 105 108 A F - 0 0 1 149,-0.3 149,-0.7 -2,-0.1 2,-0.3 -0.905 1.6-158.4-142.9 111.3 6.6 -40.6 -12.5 106 109 A R E -EF 118 253A 123 12,-1.9 12,-2.2 -2,-0.4 2,-0.4 -0.650 8.2-169.9 -87.1 142.6 9.6 -38.4 -11.6 107 110 A E E -EF 117 252A 20 145,-0.6 145,-1.2 -2,-0.3 10,-0.2 -0.909 15.6-143.5-138.4 108.8 13.1 -39.8 -11.7 108 111 A A E - F 0 251A 44 8,-0.8 2,-0.7 -2,-0.4 8,-0.2 -0.380 26.9-125.5 -56.7 144.4 16.3 -38.1 -10.4 109 112 A I - 0 0 15 141,-1.7 2,-0.5 6,-0.1 -1,-0.1 -0.863 22.2-141.9-108.3 106.9 19.3 -38.8 -12.7 110 113 A I + 0 0 98 -2,-0.7 2,-0.4 2,-0.0 214,-0.0 -0.552 23.4 172.9 -82.3 115.7 22.3 -40.3 -10.8 111 114 A C - 0 0 21 -2,-0.5 214,-0.0 2,-0.1 -2,-0.0 -0.973 41.6-125.7-109.3 133.9 25.9 -39.3 -11.7 112 115 A K 0 0 186 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.659 360.0 360.0 -51.4 -14.4 28.7 -40.6 -9.4 113 116 A N 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.483 360.0 360.0-126.1 360.0 29.5 -36.9 -9.3 114 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 127 A P 0 0 65 0, 0.0 125,-1.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 147.2 18.1 -44.4 -8.1 116 128 A I E - 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