==== 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 18-FEB-09 3GB5 . COMPND 2 MOLECULE: IODOTYROSINE DEHALOGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.R.THOMAS,P.M.MCTAMNEY,J.M.ADLER,N.LARONDE-LEBLANC,S.E.ROKI . 185 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 12.4 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 . 13 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 1 0 0 0 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 0 0 0 1 0 1 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 . 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 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 0 214 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.9 18.8 45.0 58.4 2 69 A H - 0 0 175 3,-0.0 3,-0.0 0, 0.0 0, 0.0 -0.933 360.0-176.0-114.6 138.0 20.7 41.8 57.5 3 70 A I - 0 0 151 -2,-0.4 0, 0.0 1,-0.0 0, 0.0 -0.915 36.8 -86.8-128.2 152.9 18.9 38.6 56.8 4 71 A P - 0 0 123 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 -0.327 47.6-119.2 -56.6 138.4 20.1 35.0 56.0 5 72 A F - 0 0 171 2,-0.0 2,-0.5 -3,-0.0 -3,-0.0 -0.749 20.6-146.4 -86.5 129.5 20.8 34.5 52.3 6 73 A S + 0 0 110 -2,-0.5 2,-0.4 2,-0.0 -1,-0.0 -0.863 24.7 178.2 -98.5 123.0 18.6 31.8 50.6 7 74 A H - 0 0 137 -2,-0.5 2,-0.5 2,-0.0 -2,-0.0 -0.980 28.3-139.9-135.6 132.3 20.4 30.0 47.8 8 75 A T - 0 0 95 -2,-0.4 2,-0.5 2,-0.0 -2,-0.0 -0.739 22.2-165.4 -83.4 120.4 19.7 27.2 45.4 9 76 A R - 0 0 206 -2,-0.5 3,-0.0 6,-0.0 -2,-0.0 -0.947 1.9-159.2-105.4 130.6 22.7 24.8 44.9 10 77 A Y - 0 0 72 -2,-0.5 5,-0.1 1,-0.1 -2,-0.0 -0.782 31.0 -97.9 -98.7 148.5 22.7 22.3 42.0 11 78 A P > - 0 0 88 0, 0.0 4,-2.4 0, 0.0 3,-0.2 -0.238 44.4-104.5 -53.0 155.2 24.9 19.2 41.8 12 79 A E H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.878 121.3 52.8 -58.5 -43.4 28.1 19.8 39.8 13 80 A Q H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.912 110.6 47.8 -57.8 -42.5 26.8 17.9 36.7 14 81 A E H > S+ 0 0 70 2,-0.2 4,-3.0 -3,-0.2 5,-0.3 0.864 109.8 53.1 -66.3 -35.3 23.6 20.1 36.7 15 82 A M H X S+ 0 0 98 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.936 110.8 47.4 -62.2 -46.8 25.8 23.3 37.1 16 83 A R H X S+ 0 0 149 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.946 115.4 45.7 -56.5 -51.6 27.8 22.2 34.1 17 84 A M H X S+ 0 0 86 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.945 113.9 46.6 -56.6 -57.2 24.7 21.4 32.1 18 85 A R H X S+ 0 0 124 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.888 114.7 47.4 -53.0 -46.8 22.8 24.6 33.0 19 86 A S H X S+ 0 0 75 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.866 112.7 49.2 -69.3 -34.6 25.9 26.8 32.3 20 87 A Q H X S+ 0 0 95 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.936 113.4 46.2 -65.9 -48.4 26.5 25.1 28.9 21 88 A E H X S+ 0 0 111 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.877 112.0 50.4 -64.5 -38.3 22.8 25.5 27.9 22 89 A F H X S+ 0 0 110 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.910 110.6 49.8 -67.5 -41.5 22.7 29.2 28.9 23 90 A Y H X S+ 0 0 128 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.946 110.6 50.4 -57.4 -49.5 25.9 29.9 27.0 24 91 A E H X S+ 0 0 86 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.902 111.2 49.1 -59.2 -41.0 24.4 28.1 23.9 25 92 A L H >< S+ 0 0 47 -4,-2.4 3,-0.6 1,-0.2 4,-0.3 0.928 114.5 43.9 -59.6 -50.4 21.2 30.2 24.3 26 93 A L H >< S+ 0 0 55 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.825 104.6 63.6 -67.6 -34.5 23.1 33.5 24.5 27 94 A N H 3< S+ 0 0 65 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.785 95.4 61.6 -60.5 -25.7 25.5 32.5 21.7 28 95 A K T << S+ 0 0 150 -4,-0.9 -1,-0.3 -3,-0.6 2,-0.2 0.642 80.5 107.6 -73.0 -14.9 22.4 32.5 19.4 29 96 A R < + 0 0 71 -3,-1.6 2,-0.3 -4,-0.3 101,-0.1 -0.445 45.1 171.3 -66.4 128.7 21.9 36.3 20.1 30 97 A R - 0 0 63 -2,-0.2 101,-0.5 101,-0.1 2,-0.4 -0.988 41.2-106.6-133.3 149.5 22.8 38.5 17.1 31 98 A S - 0 0 30 -2,-0.3 2,-0.5 99,-0.1 101,-0.3 -0.619 41.0-161.4 -68.6 125.9 22.3 42.3 16.6 32 99 A V - 0 0 11 99,-2.7 138,-0.1 -2,-0.4 136,-0.0 -0.953 20.9-177.6-121.4 123.4 19.4 42.4 14.1 33 100 A R S S+ 0 0 110 -2,-0.5 2,-0.5 136,-0.5 59,-0.3 0.214 70.7 73.0-106.0 13.9 18.9 45.6 12.1 34 101 A F + 0 0 101 135,-0.1 131,-3.0 97,-0.1 2,-0.5 -0.922 66.2 178.3-128.8 98.3 15.8 44.4 10.2 35 102 A I B -A 164 0A 7 -2,-0.5 126,-0.1 129,-0.3 131,-0.0 -0.917 25.1-125.1-115.9 127.6 12.9 44.3 12.6 36 103 A S - 0 0 31 127,-2.6 127,-0.3 -2,-0.5 129,-0.1 -0.291 13.4-130.6 -62.6 148.6 9.3 43.3 11.7 37 104 A S + 0 0 94 59,-0.2 -1,-0.1 125,-0.1 59,-0.0 0.531 66.1 128.9 -67.3 -13.9 6.4 45.6 12.5 38 105 A E - 0 0 120 125,-0.1 125,-0.4 1,-0.1 -2,-0.0 -0.242 67.1-107.4 -57.3 132.1 4.5 42.7 14.2 39 106 A H - 0 0 136 123,-0.1 -1,-0.1 58,-0.1 123,-0.1 -0.221 30.5-150.6 -55.3 143.6 3.2 43.5 17.7 40 107 A V - 0 0 1 121,-0.1 2,-0.1 123,-0.0 -1,-0.1 -0.870 32.2 -89.4-118.9 149.9 5.0 41.9 20.6 41 108 A P >> - 0 0 48 0, 0.0 4,-1.6 0, 0.0 3,-0.7 -0.393 26.5-145.5 -67.2 131.3 3.3 41.0 23.9 42 109 A M H 3> S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.834 99.7 61.7 -66.6 -27.9 3.4 43.9 26.4 43 110 A E H 3> S+ 0 0 123 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.854 104.0 51.2 -61.0 -35.6 3.7 41.4 29.3 44 111 A V H <> S+ 0 0 39 -3,-0.7 4,-2.4 2,-0.2 5,-0.2 0.918 108.2 49.1 -65.6 -46.9 7.0 40.3 27.7 45 112 A I H X S+ 0 0 1 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.936 113.2 49.5 -56.1 -45.9 8.4 43.8 27.4 46 113 A E H X S+ 0 0 106 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.921 110.7 49.3 -55.2 -49.1 7.4 44.3 31.1 47 114 A N H X S+ 0 0 80 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.826 109.7 50.3 -65.8 -34.7 9.2 41.0 32.1 48 115 A V H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.860 112.8 47.0 -70.4 -37.3 12.4 41.9 30.2 49 116 A I H X S+ 0 0 33 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.893 110.6 51.7 -69.9 -42.4 12.5 45.3 31.9 50 117 A K H < S+ 0 0 138 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.917 109.5 51.6 -55.4 -43.7 11.8 43.7 35.4 51 118 A A H >< S+ 0 0 33 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.936 108.9 49.9 -56.9 -48.9 14.7 41.3 34.6 52 119 A A H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.3 -2,-0.2 0.880 103.4 60.5 -56.3 -40.5 16.9 44.4 33.8 53 120 A G T 3< S+ 0 0 25 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.522 89.2 72.1 -68.5 -8.0 15.9 46.0 37.1 54 121 A T T < S+ 0 0 107 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.435 74.6 118.1 -73.6 -6.0 17.4 43.0 39.0 55 122 A A S < S- 0 0 9 -3,-1.6 7,-0.1 1,-0.1 61,-0.1 -0.258 72.1-107.0 -68.3 160.2 21.0 44.3 38.1 56 123 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 60,-0.2 -0.293 38.3-163.3 -60.5 156.7 23.4 45.3 40.9 57 124 A S > - 0 0 22 5,-0.1 3,-2.5 58,-0.1 52,-0.1 -0.960 28.2 -95.7-151.0 141.6 24.1 49.0 41.4 58 125 A G G > S- 0 0 27 50,-0.4 3,-1.2 -2,-0.3 4,-0.1 -0.217 111.4 -5.0 -49.7 126.3 26.7 51.1 43.1 59 126 A A G 3 S- 0 0 102 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.714 118.4 -80.8 53.0 24.7 25.3 52.1 46.6 60 127 A H G < S+ 0 0 140 -3,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.918 88.9 143.5 47.9 48.9 22.0 50.4 45.7 61 128 A T < - 0 0 66 -3,-1.2 3,-0.1 44,-0.0 -2,-0.1 0.621 44.2-153.6 -87.5 -14.6 20.9 53.5 43.8 62 129 A E - 0 0 91 1,-0.2 2,-1.8 -4,-0.1 -5,-0.1 0.913 20.7-174.5 38.6 57.0 19.1 51.5 41.0 63 130 A P + 0 0 2 0, 0.0 42,-2.8 0, 0.0 2,-0.4 -0.172 34.4 112.3 -87.2 49.2 19.9 54.5 38.8 64 131 A W E -B 104 0B 25 -2,-1.8 2,-0.4 40,-0.2 40,-0.2 -0.945 42.2-171.2-127.6 138.0 17.9 53.4 35.7 65 132 A T E -B 103 0B 26 38,-2.4 38,-2.9 -2,-0.4 2,-0.8 -0.996 12.0-156.5-123.8 126.2 14.8 54.6 33.8 66 133 A F E -B 102 0B 34 -2,-0.4 2,-0.6 36,-0.2 36,-0.2 -0.896 11.0-162.1-104.1 109.5 13.5 52.4 31.0 67 134 A V E -B 101 0B 22 34,-3.2 34,-2.9 -2,-0.8 2,-0.5 -0.840 3.6-157.3-100.1 120.0 11.5 54.6 28.6 68 135 A V E -B 100 0B 54 -2,-0.6 2,-0.5 32,-0.2 32,-0.2 -0.840 9.0-173.2-104.6 125.4 9.2 52.6 26.4 69 136 A V E +B 99 0B 9 30,-2.8 30,-2.7 -2,-0.5 -2,-0.0 -0.978 24.0 148.4-122.4 119.3 8.0 54.2 23.1 70 137 A K + 0 0 111 -2,-0.5 -1,-0.1 28,-0.2 5,-0.0 0.598 39.7 111.8-112.1 -28.1 5.4 52.5 20.9 71 138 A D > - 0 0 90 1,-0.1 4,-2.7 2,-0.1 5,-0.3 -0.284 62.6-142.9 -57.3 120.5 3.7 55.6 19.4 72 139 A P H > S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.878 98.8 50.4 -53.8 -42.9 4.5 55.7 15.6 73 140 A D H > S+ 0 0 120 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.923 112.9 45.8 -63.0 -44.3 4.8 59.6 15.5 74 141 A M H > S+ 0 0 49 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 110.5 52.8 -65.8 -43.1 7.2 59.6 18.5 75 142 A K H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.886 109.0 51.9 -59.3 -39.3 9.3 56.8 17.1 76 143 A H H X S+ 0 0 75 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.901 107.1 50.9 -63.4 -40.9 9.6 58.8 13.9 77 144 A K H X S+ 0 0 104 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.858 109.3 52.2 -64.5 -34.4 10.8 62.0 15.7 78 145 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.957 110.9 47.2 -63.0 -50.2 13.4 59.8 17.5 79 146 A R H X S+ 0 0 49 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.903 110.7 52.4 -56.5 -45.7 14.6 58.6 14.0 80 147 A E H X S+ 0 0 85 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.900 109.5 48.2 -59.1 -44.1 14.6 62.1 12.6 81 148 A I H X S+ 0 0 14 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.922 112.9 48.2 -64.7 -42.4 16.8 63.5 15.5 82 149 A I H < S+ 0 0 12 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.907 114.2 45.7 -64.7 -43.7 19.3 60.6 15.1 83 150 A E H >< S+ 0 0 75 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.899 108.1 56.8 -67.5 -43.5 19.5 61.0 11.3 84 151 A E H 3< S+ 0 0 98 -4,-2.5 2,-0.8 1,-0.3 -1,-0.2 0.844 84.7 84.3 -54.2 -36.8 19.9 64.8 11.5 85 152 A E T 3< + 0 0 61 -4,-1.5 2,-0.4 -5,-0.2 -1,-0.3 0.231 66.5 115.9 -64.7 21.9 23.0 64.3 13.8 86 153 A E < + 0 0 97 -3,-0.9 2,-0.2 -2,-0.8 -1,-0.1 -0.943 21.6 152.4-129.1 116.0 25.2 63.9 10.6 87 154 A E 0 0 141 -2,-0.4 -2,-0.0 0, 0.0 -3,-0.0 -0.719 360.0 360.0 75.5 56.7 27.1 66.1 10.5 88 155 A I 0 0 201 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.737 360.0 360.0-114.2 360.0 30.0 64.6 8.6 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 0 103 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 22.6 17.9 53.4 10.5 91 179 A E T >> + 0 0 122 1,-0.3 4,-2.4 2,-0.2 3,-1.6 0.782 360.0 75.9 -58.4 -27.3 14.5 52.3 9.3 92 180 A Y H 3> S+ 0 0 27 -59,-0.3 4,-2.2 1,-0.3 -1,-0.3 0.723 83.2 67.3 -59.8 -18.8 14.2 49.8 12.2 93 181 A L H <4 S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.823 111.4 33.8 -70.9 -29.1 13.4 52.8 14.4 94 182 A D H <4 S+ 0 0 42 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.832 121.7 46.9 -86.2 -39.3 10.2 53.2 12.5 95 183 A T H < S+ 0 0 42 -4,-2.4 -3,-0.2 -20,-0.1 -2,-0.2 0.891 88.4 90.4 -76.9 -39.2 9.5 49.5 11.8 96 184 A A S < S- 0 0 0 -4,-2.2 -59,-0.2 -5,-0.2 66,-0.2 -0.311 73.2-140.4 -58.0 133.3 10.2 48.0 15.3 97 185 A P S S+ 0 0 22 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.767 84.4 32.4 -66.8 -24.5 6.8 48.0 17.3 98 186 A V E - 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