==== 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 4I3K . 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) . 35259.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 11.3 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 . 59 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 7.7 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 . 19 2.6 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 0 3 1 2 4 0 0 0 4 1 0 0 3 4 1 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 2 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 . 0 2 0 0 4 2 2 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 2 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 4 A K 0 0 169 0, 0.0 31,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 138.9 20.7 5.0 -39.5 2 5 A I E -a 32 0A 35 29,-2.4 31,-2.8 1,-0.1 2,-1.1 -0.385 360.0-123.3 -71.7 136.5 23.0 6.9 -37.1 3 6 A S E +a 33 0A 95 1,-0.2 309,-0.2 29,-0.2 31,-0.1 -0.671 37.4 172.7 -78.7 97.7 26.7 7.5 -38.0 4 7 A G E - 0 0 2 29,-2.4 2,-0.4 -2,-1.1 30,-0.2 0.954 21.4-154.5 -74.7 -59.9 28.3 6.0 -34.9 5 8 A G E -a 34 0A 15 28,-0.6 30,-3.5 2,-0.1 2,-0.7 -0.925 43.7 -0.6 127.1-143.8 32.0 6.1 -35.8 6 9 A S E +a 35 0A 25 -2,-0.4 2,-0.4 28,-0.2 60,-0.3 -0.818 65.7 161.2 -96.2 114.8 35.1 4.1 -34.8 7 10 A V E -a 36 0A 1 28,-1.2 30,-2.7 -2,-0.7 2,-0.3 -0.986 31.8-141.3-140.0 124.0 34.4 1.3 -32.2 8 11 A V E -ab 37 67A 0 58,-2.9 60,-1.5 -2,-0.4 2,-0.4 -0.640 23.2-173.0 -81.6 140.2 36.4 -1.8 -31.2 9 12 A E E -ab 38 68A 0 28,-1.9 30,-1.6 -2,-0.3 2,-0.4 -0.999 7.6-165.3-134.9 135.2 34.2 -4.8 -30.6 10 13 A M E -ab 39 69A 0 58,-2.3 60,-1.6 -2,-0.4 2,-0.2 -0.987 14.3-139.0-125.2 129.4 35.4 -8.2 -29.2 11 14 A Q E -a 40 0A 45 28,-1.9 30,-1.2 -2,-0.4 6,-0.1 -0.608 24.2-162.0 -87.5 152.4 33.3 -11.3 -29.4 12 15 A G - 0 0 0 -2,-0.2 2,-0.3 4,-0.1 60,-0.2 0.150 17.9 -71.1-114.0-145.9 33.3 -13.6 -26.4 13 16 A D >> - 0 0 5 58,-2.9 3,-1.2 29,-0.1 4,-0.5 -0.931 69.3 -31.5-127.8 152.8 32.5 -17.2 -25.4 14 17 A E H >> S+ 0 0 11 -2,-0.3 4,-1.3 1,-0.2 3,-0.8 -0.200 122.0 3.6 54.9-127.7 29.6 -19.5 -24.9 15 18 A M H 3> S+ 0 0 0 256,-1.3 4,-2.3 1,-0.3 -1,-0.2 0.825 129.9 57.1 -67.8 -33.3 26.3 -17.9 -23.7 16 19 A T H <> S+ 0 0 2 -3,-1.2 4,-2.0 255,-0.7 -1,-0.3 0.829 104.9 55.3 -65.8 -25.7 27.6 -14.4 -23.8 17 20 A R H S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-1.5 0.955 113.9 42.6 -66.0 -48.9 22.2 -7.6 -29.3 24 27 A K H <>S+ 0 0 8 -4,-2.3 5,-2.1 3,-0.2 4,-0.5 0.947 118.7 43.3 -63.9 -47.8 23.9 -6.6 -32.5 25 28 A E H <5S+ 0 0 120 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.838 128.2 26.8 -67.6 -32.6 21.3 -8.1 -35.0 26 29 A K H <5S+ 0 0 73 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.567 133.8 19.4-113.0 -9.4 18.2 -6.9 -33.0 27 30 A L T <5S+ 0 0 0 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.1 0.601 125.8 28.1-133.0 -29.3 19.1 -3.8 -31.1 28 31 A I T >>4 - 0 0 0 1,-0.1 4,-2.5 30,-0.1 5,-0.3 -0.261 69.6-109.7 -56.1 150.1 36.7 -16.8 -28.5 43 46 A I H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 8,-0.1 0.834 118.2 51.5 -57.0 -32.5 38.9 -19.4 -26.7 44 47 A E H > S+ 0 0 109 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.962 111.8 42.5 -70.2 -47.1 39.5 -21.1 -30.1 45 48 A N H > S+ 0 0 46 1,-0.3 4,-2.0 2,-0.2 8,-0.3 0.823 115.3 51.0 -72.1 -32.1 40.7 -18.0 -32.0 46 49 A R H <>S+ 0 0 0 -4,-2.5 5,-4.7 2,-0.2 6,-0.3 0.848 114.4 44.8 -67.1 -36.4 42.7 -16.9 -29.1 47 50 A D H ><5S+ 0 0 25 -4,-1.6 3,-1.9 -5,-0.3 -2,-0.2 0.991 113.1 51.0 -67.4 -55.3 44.2 -20.4 -29.0 48 51 A A H 3<5S+ 0 0 70 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.763 117.3 36.1 -52.2 -42.6 44.7 -20.5 -32.8 49 52 A T T 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.314 118.8-106.7 -94.7 7.2 46.5 -17.2 -33.1 50 53 A N T < 5S- 0 0 81 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.981 71.5 -56.6 59.5 63.3 48.4 -17.7 -29.8 51 54 A D S >> + 0 0 79 -6,-0.3 4,-2.0 -7,-0.2 3,-0.8 0.914 61.1 59.5 -78.5 -40.1 47.5 -12.7 -30.4 53 56 A V H 3> S+ 0 0 9 -8,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.832 100.5 59.7 -53.2 -34.1 44.1 -11.5 -31.2 54 57 A T H 3> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.869 106.0 44.6 -65.9 -39.6 43.8 -10.4 -27.6 55 58 A K H - 0 0 77 -2,-0.2 4,-2.1 0, 0.0 3,-0.3 -0.727 59.1 -84.3-119.8 179.5 42.1 -23.3 -16.1 77 80 A E H > S+ 0 0 170 -2,-0.2 4,-1.2 1,-0.2 0, 0.0 0.888 130.2 53.5 -54.9 -37.0 43.4 -26.9 -16.2 78 81 A K H > S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.908 107.4 49.9 -65.9 -40.4 39.8 -28.1 -16.9 79 82 A R H > S+ 0 0 35 -3,-0.3 4,-2.2 1,-0.2 6,-0.3 0.877 103.6 59.3 -65.8 -40.0 39.4 -25.8 -19.8 80 83 A V H X>S+ 0 0 38 -4,-2.1 5,-1.0 1,-0.2 4,-0.9 0.847 106.7 49.3 -59.6 -30.3 42.7 -27.0 -21.3 81 84 A E H <5S+ 0 0 153 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.903 109.2 50.7 -74.0 -40.4 41.2 -30.5 -21.4 82 85 A E H <5S+ 0 0 91 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.906 126.1 24.8 -64.3 -42.5 37.9 -29.5 -23.1 83 86 A F H <5S- 0 0 49 -4,-2.2 -1,-0.2 -40,-0.0 -2,-0.2 0.420 100.3-123.3-104.7 -0.8 39.6 -27.6 -25.9 84 87 A K T <5 - 0 0 170 -4,-0.9 -3,-0.2 -5,-0.3 -4,-0.2 0.871 42.4-160.1 58.1 37.3 42.9 -29.4 -25.9 85 88 A L < - 0 0 12 -5,-1.0 -1,-0.1 -6,-0.3 3,-0.1 -0.109 21.7-139.3 -53.4 146.3 44.5 -25.9 -25.4 86 89 A K S S- 0 0 119 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.542 84.5 -2.1 -82.2 -10.2 48.2 -25.5 -26.3 87 90 A Q S S- 0 0 117 2,-0.0 2,-0.9 -7,-0.0 -1,-0.1 -0.961 77.4-101.0-165.4 166.8 48.7 -23.4 -23.2 88 91 A M - 0 0 107 -2,-0.3 2,-0.1 -3,-0.1 -11,-0.1 -0.821 49.7-150.4-100.6 90.5 46.8 -21.9 -20.3 89 92 A W - 0 0 21 -2,-0.9 -42,-0.0 1,-0.1 -38,-0.0 -0.379 15.0-108.0 -69.4 137.9 46.5 -18.3 -21.6 90 93 A K - 0 0 166 1,-0.2 -1,-0.1 -2,-0.1 5,-0.0 -0.110 54.6 -74.9 -53.8 153.1 46.3 -15.4 -19.2 91 94 A S > - 0 0 30 1,-0.2 4,-2.8 -17,-0.1 -1,-0.2 -0.255 34.3-132.8 -51.0 134.6 42.9 -13.7 -18.9 92 95 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.873 111.9 52.7 -56.9 -35.4 42.1 -11.6 -21.9 93 96 A N H > S+ 0 0 26 2,-0.2 4,-2.6 -21,-0.2 5,-0.2 0.875 106.7 51.6 -67.9 -38.1 41.1 -8.9 -19.4 94 97 A G H > S+ 0 0 24 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.979 113.2 45.3 -59.2 -54.0 44.5 -9.3 -17.6 95 98 A T H >X S+ 0 0 22 -4,-2.8 4,-1.4 1,-0.2 3,-0.7 0.950 117.5 42.4 -51.3 -56.5 46.3 -8.8 -20.9 96 99 A I H 3X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.3 5,-0.3 0.826 109.5 56.1 -65.8 -37.3 44.1 -5.9 -22.1 97 100 A R H 3X S+ 0 0 98 -4,-2.6 4,-1.6 1,-0.2 -1,-0.3 0.744 105.9 53.2 -71.5 -25.5 44.1 -4.0 -18.8 98 101 A N H << S+ 0 0 135 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.904 110.0 46.6 -70.5 -42.4 47.9 -4.0 -18.7 99 102 A I H < S+ 0 0 44 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.844 125.8 28.3 -71.2 -33.4 48.2 -2.4 -22.2 100 103 A L H < S- 0 0 23 -4,-1.8 -3,-0.2 1,-0.1 -2,-0.2 0.774 89.3-163.5 -97.9 -33.5 45.6 0.3 -21.6 101 104 A G < + 0 0 28 -4,-1.6 2,-0.2 -5,-0.3 -3,-0.1 -0.102 31.3 116.0 67.1-173.6 45.7 0.9 -17.8 102 105 A G - 0 0 29 155,-0.1 2,-0.4 -4,-0.1 155,-0.3 -0.604 61.8 -65.1 111.3-173.0 42.9 2.7 -16.0 103 106 A T E -D 256 0A 12 153,-2.3 153,-2.4 -2,-0.2 2,-0.1 -0.964 36.4-128.9-126.7 129.9 40.4 2.0 -13.4 104 107 A V E -D 255 0A 27 -2,-0.4 2,-0.4 151,-0.2 151,-0.2 -0.413 19.9-162.8 -73.8 147.1 37.4 -0.4 -13.4 105 108 A F E -D 254 0A 3 149,-0.8 149,-1.0 14,-0.2 2,-0.6 -0.909 4.0-165.2-136.4 112.4 34.0 0.8 -12.4 106 109 A R E -DE 253 118A 107 12,-2.2 12,-2.3 -2,-0.4 2,-0.5 -0.836 9.7-174.9 -97.1 118.1 31.1 -1.5 -11.5 107 110 A E E -DE 252 117A 12 145,-1.4 145,-1.4 -2,-0.6 2,-0.4 -0.959 19.7-137.4-115.6 124.7 27.7 0.2 -11.4 108 111 A A E -D 251 0A 44 8,-1.3 2,-0.6 -2,-0.5 8,-0.3 -0.662 21.0-131.0 -75.5 132.0 24.6 -1.7 -10.2 109 112 A I - 0 0 16 141,-1.9 2,-0.5 -2,-0.4 -1,-0.0 -0.763 21.7-139.8 -91.3 115.0 21.6 -1.0 -12.5 110 113 A I - 0 0 91 -2,-0.6 2,-0.4 2,-0.0 -1,-0.0 -0.604 17.3-172.1 -87.4 122.5 18.5 -0.0 -10.5 111 114 A C - 0 0 27 -2,-0.5 214,-0.1 1,-0.1 213,-0.0 -0.891 28.7-131.2-102.1 142.3 15.0 -1.3 -11.3 112 115 A K 0 0 168 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.639 360.0 360.0 -73.8 -12.4 12.3 0.4 -9.3 113 116 A N 0 0 98 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.120 360.0 360.0-120.3 360.0 10.8 -3.1 -8.5 114 ! 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,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 157.2 22.5 3.8 -8.1 116 128 A I E - f 0 240A 69 -8,-0.3 -8,-1.3 123,-0.2 2,-0.7 -0.962 360.0-159.1-118.2 125.9 26.1 3.4 -6.8 117 129 A I E -Ef 107 241A 1 123,-1.6 125,-3.3 -2,-0.5 2,-0.5 -0.931 15.7-172.4-103.8 110.1 29.2 3.4 -9.0 118 130 A I E -Ef 106 242A 49 -12,-2.3 -12,-2.2 -2,-0.7 2,-0.5 -0.922 9.7-175.9-107.6 125.3 32.1 1.8 -7.2 119 131 A G E - f 0 243A 0 123,-3.1 125,-1.7 -2,-0.5 -14,-0.2 -0.923 9.7-164.7-121.5 110.2 35.7 1.7 -8.5 120 132 A H E f 0 244A 83 -2,-0.5 -16,-0.2 123,-0.2 125,-0.2 -0.142 360.0 360.0 -81.2 177.5 38.3 -0.3 -6.6 121 133 A H 0 0 86 125,-1.3 -1,-0.1 123,-0.9 -18,-0.1 -0.691 360.0 360.0 -84.4 360.0 42.0 0.0 -7.0 122 ! 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 0.0 123 141 A A 0 0 102 0, 0.0 2,-0.7 0, 0.0 41,-0.2 0.000 360.0 360.0 360.0 146.0 51.1 -9.1 -3.9 124 142 A T E +J 163 0B 34 39,-1.7 39,-2.6 444,-0.1 2,-0.3 -0.822 360.0 164.5-119.0 95.3 54.2 -10.6 -2.4 125 143 A D E +J 162 0B 31 -2,-0.7 2,-0.3 37,-0.2 37,-0.2 -0.849 3.9 165.2-113.4 141.9 53.5 -13.2 0.3 126 144 A F E -J 161 0B 6 35,-2.1 35,-2.2 -2,-0.3 2,-0.4 -0.982 33.7-102.2-150.4 166.6 55.7 -15.8 1.9 127 145 A V E -J 160 0B 46 -2,-0.3 33,-0.3 33,-0.2 444,-0.1 -0.747 15.1-147.4-103.9 127.2 55.9 -18.1 4.9 128 146 A V E -J 159 0B 0 31,-1.2 31,-2.9 -2,-0.4 4,-0.1 -0.791 16.8-171.6 -89.1 101.4 57.9 -17.6 8.1 129 147 A P - 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N 0 507C 48 368,-2.5 368,-1.2 -2,-0.5 7,-0.2 -0.898 20.2-140.3-118.1 103.9 67.8 1.0 -1.1 140 158 A P E > - N 0 506C 16 0, 0.0 3,-0.8 0, 0.0 366,-0.3 -0.145 16.3-123.3 -59.9 154.6 67.8 4.3 -3.1 141 159 A S T 3 S+ 0 0 82 364,-1.7 365,-0.1 1,-0.2 388,-0.0 0.739 106.1 67.9 -69.3 -26.4 69.2 4.3 -6.6 142 160 A D T 3 S- 0 0 112 363,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.040 112.3-113.8 -88.3 29.5 71.7 7.1 -5.7 143 161 A G < + 0 0 74 -3,-0.8 -2,-0.1 1,-0.1 3,-0.1 0.551 69.9 145.4 50.9 13.0 73.6 4.8 -3.4 144 162 A T - 0 0 69 1,-0.2 -1,-0.1 -5,-0.0 0, 0.0 -0.169 61.9 -45.2 -70.7 173.1 72.5 6.9 -0.5 145 163 A Q - 0 0 153 1,-0.1 2,-0.6 -6,-0.1 -1,-0.2 0.135 56.9-122.7 -43.5 148.1 71.8 5.1 2.8 146 164 A K - 0 0 124 -7,-0.2 2,-0.6 -3,-0.1 -7,-0.2 -0.864 24.6-143.7-100.8 122.9 69.7 1.9 2.8 147 165 A V E -M 138 0C 55 -9,-2.6 -9,-3.3 -2,-0.6 2,-0.5 -0.774 15.4-165.5 -94.6 118.7 66.7 2.3 5.1 148 166 A T E -M 137 0C 65 -2,-0.6 2,-0.4 -11,-0.2 -11,-0.2 -0.912 7.2-174.3-112.0 122.2 65.7 -0.8 7.0 149 167 A Y E -M 136 0C 78 -13,-2.2 -13,-2.4 -2,-0.5 2,-0.7 -0.898 23.9-129.4-108.4 145.1 62.4 -1.3 8.8 150 168 A L E -M 135 0C 77 -2,-0.4 -15,-0.2 -15,-0.2 3,-0.2 -0.847 17.0-173.1 -97.1 114.0 61.6 -4.3 11.0 151 169 A V E - 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