==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-SEP-11 3TO0 . COMPND 2 MOLECULE: IODOTYROSINE DEIODINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.M.BUSS,P.M.MCTAMNEY,S.E.ROKITA . 369 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 14.6 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 . 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 . 29 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 0 0 2 0 2 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 2 0 0 2 0 2 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 . 2 0 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 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 68 A E 0 0 170 0, 0.0 358,-3.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -40.4 4.6 19.1 -37.9 2 69 A H E -A 358 0A 114 356,-0.3 3,-0.1 357,-0.1 0, 0.0 -0.933 360.0-177.9-121.7 109.3 2.9 22.4 -37.1 3 70 A I E -A 357 0A 57 354,-2.3 354,-2.2 -2,-0.5 2,-0.0 -0.620 37.4 -90.1-101.0 161.0 -0.9 22.4 -36.5 4 71 A P E -A 356 0A 107 0, 0.0 2,-0.4 0, 0.0 352,-0.3 -0.383 47.5-118.8 -66.0 154.2 -3.2 25.2 -35.8 5 72 A F - 0 0 32 350,-1.4 2,-0.6 -3,-0.1 350,-0.1 -0.839 16.1-142.6-108.1 132.0 -3.6 25.9 -32.1 6 73 A S - 0 0 110 -2,-0.4 2,-0.3 209,-0.1 350,-0.0 -0.781 21.9-174.0-102.3 117.1 -6.9 25.6 -30.3 7 74 A H - 0 0 57 -2,-0.6 2,-0.5 344,-0.0 343,-0.0 -0.710 24.0-144.3-110.1 156.8 -7.6 28.1 -27.5 8 75 A T - 0 0 78 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.972 25.3-165.8-112.6 106.7 -10.4 28.6 -25.0 9 76 A R - 0 0 112 -2,-0.5 306,-0.1 341,-0.0 307,-0.1 -0.844 1.6-157.9-100.6 130.4 -10.9 32.3 -24.5 10 77 A Y - 0 0 32 -2,-0.5 5,-0.1 304,-0.2 -2,-0.0 -0.823 28.9-100.1-104.2 146.3 -12.9 33.6 -21.6 11 78 A P > - 0 0 80 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.230 42.0-107.0 -53.9 145.8 -14.6 37.0 -21.4 12 79 A E H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.892 118.5 56.3 -51.5 -44.4 -12.6 39.5 -19.4 13 80 A Q H > S+ 0 0 139 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.949 110.4 44.1 -52.9 -52.3 -14.9 39.4 -16.4 14 81 A E H > S+ 0 0 78 -3,-0.3 4,-2.8 1,-0.2 5,-0.3 0.773 108.8 57.7 -62.2 -29.2 -14.5 35.6 -16.1 15 82 A M H X S+ 0 0 0 -4,-1.9 4,-1.9 -3,-0.3 -1,-0.2 0.907 109.4 46.0 -69.0 -41.3 -10.8 35.8 -16.6 16 83 A R H X S+ 0 0 79 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.964 116.2 45.1 -57.9 -51.3 -10.6 38.1 -13.6 17 84 A M H X S+ 0 0 90 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.877 113.9 47.2 -63.3 -44.6 -12.9 35.8 -11.6 18 85 A R H X S+ 0 0 62 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.894 115.1 47.1 -65.5 -41.3 -11.1 32.5 -12.5 19 86 A S H X S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.891 111.0 51.3 -72.3 -37.4 -7.7 34.0 -11.8 20 87 A Q H X S+ 0 0 57 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.988 112.4 45.9 -59.3 -56.3 -8.9 35.5 -8.5 21 88 A E H X S+ 0 0 98 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.818 110.9 52.1 -59.7 -34.8 -10.3 32.1 -7.3 22 89 A F H X S+ 0 0 12 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.940 109.5 49.8 -68.3 -43.1 -7.2 30.2 -8.4 23 90 A Y H X S+ 0 0 46 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.915 110.3 51.0 -56.2 -44.7 -5.1 32.6 -6.5 24 91 A E H < S+ 0 0 83 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.842 110.8 50.1 -60.0 -37.7 -7.4 32.1 -3.4 25 92 A L H >< S+ 0 0 25 -4,-1.9 3,-1.2 -5,-0.2 4,-0.3 0.961 113.7 42.0 -67.2 -55.0 -7.0 28.3 -3.8 26 93 A L H >< S+ 0 0 1 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.818 106.7 62.3 -66.2 -34.1 -3.2 28.3 -4.0 27 94 A N T 3< S+ 0 0 55 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.657 93.3 64.8 -68.4 -14.9 -2.8 30.8 -1.2 28 95 A K T < S+ 0 0 133 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.686 82.9 108.1 -78.2 -11.8 -4.5 28.4 1.0 29 96 A R < + 0 0 20 -3,-1.7 2,-0.3 -4,-0.3 101,-0.1 -0.363 42.5 168.8 -68.2 140.0 -1.4 26.1 0.4 30 97 A R - 0 0 49 101,-0.1 101,-0.4 -2,-0.0 2,-0.2 -0.964 41.6-107.1-148.8 136.3 1.1 25.6 3.3 31 98 A S - 0 0 23 -2,-0.3 2,-0.5 99,-0.1 101,-0.3 -0.463 39.8-158.8 -58.8 126.2 4.0 23.1 3.8 32 99 A V - 0 0 0 99,-2.4 138,-0.1 -2,-0.2 -1,-0.0 -0.948 19.8-175.7-117.8 125.8 2.7 20.7 6.4 33 100 A R S S+ 0 0 116 -2,-0.5 2,-0.4 136,-0.4 59,-0.4 0.203 70.4 71.4-108.8 16.6 5.2 18.7 8.3 34 101 A F + 0 0 88 57,-0.1 131,-2.1 135,-0.1 2,-0.5 -0.927 66.5 178.8-132.4 105.5 2.6 16.6 10.2 35 102 A I B -B 164 0B 3 -2,-0.4 126,-0.1 129,-0.3 131,-0.0 -0.918 24.3-125.3-125.4 127.7 1.0 14.1 7.9 36 103 A S - 0 0 33 127,-2.7 127,-0.3 -2,-0.5 129,-0.1 -0.180 16.2-129.4 -67.2 160.0 -1.6 11.5 8.7 37 104 A S + 0 0 97 59,-0.2 2,-0.2 125,-0.1 -1,-0.1 0.334 63.6 135.7 -82.9 6.9 -1.0 7.9 7.8 38 105 A E - 0 0 86 125,-0.1 125,-0.3 1,-0.1 -2,-0.0 -0.377 62.6-108.1 -71.8 126.7 -4.4 7.8 6.1 39 106 A H - 0 0 125 -2,-0.2 -1,-0.1 58,-0.1 123,-0.0 -0.088 33.9-156.8 -44.0 140.6 -4.6 6.1 2.7 40 107 A V - 0 0 1 121,-0.1 -1,-0.1 122,-0.0 5,-0.0 -0.931 30.4 -89.5-120.1 154.9 -5.1 8.5 -0.2 41 108 A P >> - 0 0 1 0, 0.0 4,-1.9 0, 0.0 3,-0.7 -0.354 22.6-147.2 -69.9 137.6 -6.5 7.6 -3.5 42 109 A M H 3> S+ 0 0 54 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.818 99.0 62.9 -65.2 -29.5 -4.0 6.3 -6.1 43 110 A E H 3> S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.792 105.1 47.0 -63.1 -27.0 -6.2 7.9 -8.8 44 111 A V H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 5,-0.3 0.901 109.9 51.5 -84.0 -40.1 -5.5 11.2 -7.3 45 112 A I H X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 3,-0.3 0.984 112.6 46.2 -54.9 -57.7 -1.8 10.6 -7.0 46 113 A E H X S+ 0 0 73 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.886 110.6 55.0 -47.4 -46.2 -1.7 9.6 -10.6 47 114 A N H X S+ 0 0 11 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.898 107.1 47.8 -59.6 -42.0 -3.7 12.7 -11.6 48 115 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 -3,-0.3 -1,-0.2 0.857 113.3 49.0 -70.8 -32.2 -1.4 15.2 -9.9 49 116 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.936 108.6 52.1 -70.3 -44.5 1.6 13.5 -11.6 50 117 A K H < S+ 0 0 53 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.928 111.0 50.5 -51.0 -42.6 -0.2 13.6 -14.9 51 118 A A H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.945 108.5 49.6 -62.6 -47.0 -0.7 17.3 -14.1 52 119 A A H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.845 102.1 63.7 -62.7 -35.1 3.0 17.8 -13.4 53 120 A G T 3< S+ 0 0 8 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.538 87.2 73.1 -63.7 -8.6 3.9 16.0 -16.6 54 121 A T T < S+ 0 0 1 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.506 72.3 122.3 -86.0 -2.4 2.2 18.9 -18.6 55 122 A A < - 0 0 5 -3,-1.5 2,-0.1 -4,-0.2 7,-0.1 -0.144 69.8-109.0 -51.9 151.6 5.0 21.2 -17.8 56 123 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 60,-0.2 -0.482 37.4-160.5 -70.4 155.2 7.0 22.9 -20.6 57 124 A S > - 0 0 21 -2,-0.1 3,-3.1 263,-0.1 52,-0.1 -0.992 27.3 -98.1-145.3 133.8 10.5 21.5 -20.9 58 125 A G G > S- 0 0 28 -2,-0.4 3,-2.2 1,-0.3 4,-0.2 -0.255 111.4 -5.0 -43.7 128.5 13.6 22.9 -22.6 59 126 A A G 3 S- 0 0 99 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.715 118.8 -81.3 50.2 24.2 13.8 21.3 -26.0 60 127 A H G < S+ 0 0 74 -3,-3.1 -1,-0.3 1,-0.1 -2,-0.2 0.818 87.0 145.9 55.8 28.6 10.9 19.2 -25.1 61 128 A T < - 0 0 61 -3,-2.2 3,-0.1 2,-0.1 -1,-0.1 0.684 39.1-158.3 -68.4 -17.8 13.1 16.7 -23.2 62 129 A E + 0 0 13 1,-0.2 2,-2.3 -4,-0.2 -1,-0.1 0.837 21.8 179.2 43.0 40.3 10.3 16.1 -20.7 63 130 A P + 0 0 3 0, 0.0 42,-1.8 0, 0.0 2,-0.4 -0.355 28.0 114.8 -82.1 62.2 13.2 15.0 -18.5 64 131 A W E -C 104 0C 0 -2,-2.3 2,-0.4 40,-0.2 40,-0.2 -0.962 42.3-165.9-131.0 145.0 11.4 14.1 -15.3 65 132 A T E -C 103 0C 5 38,-2.1 38,-2.9 -2,-0.4 2,-0.7 -0.994 9.3-156.3-128.5 125.7 10.9 10.8 -13.5 66 133 A F E -Cd 102 369C 0 302,-3.4 304,-2.8 -2,-0.4 2,-0.6 -0.916 9.4-163.6-104.9 106.8 8.2 10.6 -10.7 67 134 A V E -Cd 101 370C 0 34,-3.1 34,-2.2 -2,-0.7 2,-0.6 -0.840 4.0-156.4 -96.6 116.8 9.1 7.8 -8.3 68 135 A V E -Cd 100 371C 3 302,-3.7 304,-3.1 -2,-0.6 2,-0.5 -0.849 9.0-170.4 -97.7 119.8 6.2 6.8 -6.2 69 136 A V E +Cd 99 372C 0 30,-2.7 30,-2.8 -2,-0.6 304,-0.1 -0.934 24.9 147.7-107.7 127.7 7.1 5.1 -2.9 70 137 A K + 0 0 71 302,-0.9 -1,-0.1 -2,-0.5 303,-0.1 0.594 36.1 110.2-127.5 -30.4 4.4 3.5 -0.8 71 138 A D > - 0 0 35 301,-0.7 4,-2.4 1,-0.2 5,-0.2 -0.284 64.0-141.0 -47.1 120.0 6.2 0.5 0.9 72 139 A P H > S+ 0 0 93 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.881 101.8 50.6 -56.4 -38.1 6.5 1.3 4.6 73 140 A D H > S+ 0 0 109 301,-0.2 4,-2.4 2,-0.2 3,-0.2 0.959 108.0 49.7 -63.7 -51.9 9.9 -0.3 4.6 74 141 A M H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 109.2 54.4 -55.0 -38.5 11.2 1.6 1.6 75 142 A K H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.897 107.8 49.7 -66.6 -35.4 10.0 4.8 3.2 76 143 A H H X S+ 0 0 69 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.934 107.7 51.5 -69.6 -41.2 11.9 4.1 6.3 77 144 A K H X S+ 0 0 96 -4,-2.4 4,-2.1 1,-0.3 5,-0.2 0.950 110.6 50.9 -64.4 -41.3 15.2 3.3 4.5 78 145 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.918 108.5 51.9 -53.4 -46.7 14.7 6.6 2.7 79 146 A R H X S+ 0 0 47 -4,-2.4 4,-2.4 14,-0.2 5,-0.3 0.934 107.0 54.1 -56.5 -44.8 14.2 8.3 6.1 80 147 A E H X S+ 0 0 91 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.938 108.4 46.2 -60.7 -53.3 17.4 6.8 7.4 81 148 A I H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.943 111.7 51.8 -50.9 -52.0 19.7 8.0 4.7 82 149 A I H >< S+ 0 0 30 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.953 113.3 43.8 -54.4 -51.8 18.2 11.5 4.8 83 150 A E H >< S+ 0 0 70 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.845 110.9 57.1 -60.5 -38.3 18.8 11.8 8.6 84 151 A E H 3< S+ 0 0 103 -4,-2.6 2,-0.7 -5,-0.3 -1,-0.3 0.830 83.3 81.9 -60.9 -35.3 22.2 10.3 8.3 85 152 A E T << S+ 0 0 38 -4,-2.1 -1,-0.2 -3,-0.6 2,-0.1 0.178 74.3 95.5 -75.2 28.1 23.4 12.9 5.8 86 153 A E < + 0 0 100 -3,-0.8 2,-0.3 -2,-0.7 -1,-0.2 -0.672 35.4 152.7-148.2 106.1 24.2 15.2 8.8 87 154 A E 0 0 134 -2,-0.1 -3,-0.0 1,-0.0 -2,-0.0 -0.542 360.0 360.0 64.2 61.7 26.9 15.0 9.5 88 155 A I 0 0 221 -2,-0.3 -3,-0.0 0, 0.0 -2,-0.0 0.260 360.0 360.0-120.3 360.0 28.0 18.2 11.1 89 ! 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 90 178 A K > 0 0 149 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0-156.0 11.8 13.5 10.3 91 179 A E T >> + 0 0 124 1,-0.3 3,-3.9 2,-0.2 4,-2.3 0.708 360.0 74.4 -50.0 -38.7 8.6 11.4 11.0 92 180 A Y H 3> S+ 0 0 43 -59,-0.4 4,-3.1 1,-0.3 -1,-0.3 0.852 87.7 65.6 -46.9 -34.9 6.5 12.6 8.1 93 181 A L H <4 S+ 0 0 4 -3,-2.1 -1,-0.3 1,-0.2 -14,-0.2 0.616 113.6 32.1 -64.4 -10.8 8.7 10.4 5.8 94 182 A D H <4 S+ 0 0 40 -3,-3.9 -2,-0.2 -4,-0.2 -1,-0.2 0.736 120.5 47.7-109.2 -41.9 7.2 7.4 7.7 95 183 A T H < S+ 0 0 48 -4,-2.3 -3,-0.2 -20,-0.1 -2,-0.2 0.808 89.5 95.1 -75.4 -29.1 3.8 8.5 8.5 96 184 A A S < S- 0 0 0 -4,-3.1 -59,-0.2 -5,-0.3 66,-0.2 -0.391 72.2-140.1 -62.9 137.3 2.9 9.8 5.1 97 185 A P S S+ 0 0 20 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.859 83.2 29.8 -60.0 -38.1 1.1 7.3 2.9 98 186 A V E - 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