==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUN-06 2IUP . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,N.SCRUTTON,D.LEYS . 949 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32535.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 349 36.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 74 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 1 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 RESIDUES PER ALPHA HELIX . 4 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 . 8 4 8 6 20 8 2 0 3 1 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 2 10 6 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 73 A R 0 0 199 0, 0.0 829,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 124.8 15.9 4.0 -10.7 2 74 A E - 0 0 60 827,-1.6 2,-0.4 828,-0.0 826,-0.1 -0.464 360.0-158.9 -80.0 149.3 16.2 3.6 -6.9 3 75 A V - 0 0 96 -2,-0.1 2,-0.4 746,-0.1 746,-0.1 -0.991 14.3-132.5-132.1 124.7 15.7 0.3 -5.2 4 76 A L - 0 0 21 -2,-0.4 2,-0.3 754,-0.1 746,-0.2 -0.634 31.7-177.2 -74.8 127.6 14.9 -0.2 -1.5 5 77 A T B -a 750 0A 57 744,-1.1 746,-2.2 -2,-0.4 2,-0.2 -0.923 15.9-167.1-124.2 150.5 17.1 -2.7 0.2 6 78 A G + 0 0 25 -2,-0.3 750,-0.1 744,-0.2 776,-0.0 -0.361 57.4 84.5-105.7-163.1 17.3 -4.3 3.7 7 79 A G + 0 0 58 748,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.550 63.8 145.9 83.8 10.5 20.1 -6.4 5.2 8 80 A H - 0 0 68 743,-0.3 746,-0.3 744,-0.1 -1,-0.2 -0.439 42.3-129.6 -88.9 151.9 22.1 -3.4 6.3 9 81 A S - 0 0 53 1,-0.1 81,-0.2 -2,-0.1 80,-0.1 -0.574 42.6 -75.0 -93.6 161.8 24.4 -3.0 9.3 10 82 A V - 0 0 11 79,-2.8 -1,-0.1 -2,-0.2 35,-0.1 -0.310 43.5-134.2 -57.2 137.3 24.4 -0.2 11.9 11 83 A S S S+ 0 0 77 33,-0.2 -1,-0.1 734,-0.2 -2,-0.0 0.585 79.7 61.4 -79.3 -17.7 26.0 2.9 10.3 12 84 A A S S- 0 0 9 1,-0.1 5,-0.1 32,-0.0 -2,-0.0 -0.818 93.9 -92.7-111.3 152.1 28.3 3.9 13.1 13 85 A P > - 0 0 64 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.235 35.4-112.6 -63.2 151.5 31.2 2.0 14.7 14 86 A Q G > S+ 0 0 55 1,-0.3 3,-1.9 2,-0.2 342,-0.3 0.834 115.1 64.9 -49.2 -39.3 30.5 -0.2 17.8 15 87 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 340,-0.1 343,-0.1 0.649 100.3 52.1 -65.8 -14.7 32.6 2.2 19.9 16 88 A N G < S+ 0 0 28 -3,-2.1 22,-2.4 21,-0.1 23,-0.4 0.480 91.4 107.0 -91.5 -6.5 30.1 5.0 19.3 17 89 A R E < +C 37 0B 9 -3,-1.9 339,-2.8 -4,-0.3 2,-0.3 -0.557 39.8 176.8 -93.5 139.7 27.0 3.0 20.4 18 90 A I E -CD 36 355B 0 18,-2.6 18,-2.3 -2,-0.3 2,-0.5 -0.913 21.1-137.5-129.7 160.0 24.9 3.3 23.5 19 91 A Y E -CD 35 354B 1 335,-2.7 335,-1.7 -2,-0.3 2,-0.6 -0.976 10.2-165.3-127.0 113.1 21.7 1.3 24.4 20 92 A V E -CD 34 353B 0 14,-3.0 14,-2.7 -2,-0.5 2,-1.0 -0.907 15.3-145.9-103.0 110.9 18.7 3.1 26.0 21 93 A M E -CD 33 352B 0 331,-2.5 2,-0.8 -2,-0.6 330,-0.5 -0.699 14.5-162.2 -83.8 101.6 16.3 0.5 27.5 22 94 A D E -CD 32 350B 0 10,-2.6 10,-2.4 -2,-1.0 328,-0.2 -0.787 13.3-174.4 -91.5 105.7 12.9 2.0 26.9 23 95 A S - 0 0 19 326,-2.0 29,-0.3 -2,-0.8 7,-0.2 0.779 17.9-155.4 -62.9 -31.0 10.3 0.3 29.2 24 96 A V > - 0 0 2 325,-0.4 3,-2.4 1,-0.1 6,-0.3 0.959 15.9-175.5 47.4 56.1 7.5 2.3 27.6 25 97 A F G > S+ 0 0 46 1,-0.3 3,-1.0 324,-0.2 -1,-0.1 0.809 74.8 63.3 -59.1 -30.3 5.7 1.8 30.8 26 98 A M G 3 S+ 0 0 70 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.752 125.6 17.9 -63.6 -24.6 2.5 3.5 29.4 27 99 A H G X S+ 0 0 2 -3,-2.4 3,-2.6 -4,-0.1 -1,-0.3 -0.463 81.6 173.3-142.0 62.9 2.4 0.6 26.9 28 100 A L G X + 0 0 15 -3,-1.0 24,-2.1 1,-0.3 3,-0.9 0.608 69.3 69.6 -58.7 -17.4 4.7 -1.9 28.6 29 101 A T G 3 S+ 0 0 8 1,-0.2 -1,-0.3 22,-0.2 22,-0.1 0.532 99.4 51.9 -74.5 -9.4 4.0 -4.7 26.0 30 102 A E G < S+ 0 0 4 -3,-2.6 -1,-0.2 -6,-0.3 21,-0.2 -0.166 75.5 149.7-120.9 41.1 6.0 -2.7 23.4 31 103 A S < + 0 0 1 19,-2.1 18,-2.3 -3,-0.9 19,-0.4 -0.239 20.5 172.6 -60.3 158.7 9.2 -2.0 25.4 32 104 A R E -CE 22 48B 2 -10,-2.4 -10,-2.6 16,-0.2 2,-0.5 -0.985 35.6-111.0-163.6 162.8 12.3 -1.7 23.2 33 105 A V E -CE 21 47B 0 14,-2.5 14,-2.0 -2,-0.3 2,-0.5 -0.915 27.4-153.3-100.6 125.4 16.0 -0.9 23.2 34 106 A H E -CE 20 46B 2 -14,-2.7 -14,-3.0 -2,-0.5 2,-0.5 -0.884 7.9-149.4 -97.8 128.3 17.0 2.3 21.3 35 107 A V E +CE 19 45B 0 10,-2.9 9,-3.1 -2,-0.5 10,-1.3 -0.873 22.5 177.1-101.5 124.8 20.5 2.4 19.9 36 108 A Y E -CE 18 43B 11 -18,-2.3 -18,-2.6 -2,-0.5 2,-0.6 -0.908 35.3-123.7-127.0 153.9 22.2 5.8 19.7 37 109 A D E >> -C 17 0B 6 5,-2.3 4,-2.1 -2,-0.3 3,-0.7 -0.887 21.1-160.5 -92.9 114.9 25.5 7.3 18.7 38 110 A Y T 34 S+ 0 0 24 -22,-2.4 -1,-0.1 -2,-0.6 -21,-0.1 0.700 84.2 65.4 -74.0 -18.3 26.7 9.2 21.8 39 111 A T T 34 S+ 0 0 50 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.784 126.4 5.0 -73.5 -28.1 29.1 11.3 19.8 40 112 A N T <4 S- 0 0 96 -3,-0.7 -2,-0.2 -24,-0.2 -1,-0.1 0.355 96.0-112.8-139.7 3.0 26.4 13.1 17.8 41 113 A G < + 0 0 24 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.578 59.1 157.5 74.5 10.2 23.0 11.9 19.2 42 114 A K - 0 0 96 -5,-0.4 -5,-2.3 1,-0.1 2,-0.4 -0.487 44.5-124.9 -75.0 133.7 22.0 10.0 16.0 43 115 A F E +E 36 0B 14 -2,-0.2 702,-0.3 -7,-0.2 -7,-0.2 -0.669 30.6 177.6 -73.9 124.4 19.4 7.3 16.3 44 116 A L E - 0 0 0 -9,-3.1 2,-0.3 -2,-0.4 -33,-0.2 0.656 49.8 -65.1-106.8 -24.2 21.0 4.1 14.8 45 117 A G E -E 35 0B 1 -10,-1.3 -10,-2.9 707,-0.1 -1,-0.4 -0.973 44.7-119.4 161.5-170.8 18.3 1.5 15.3 46 118 A M E -E 34 0B 1 707,-0.4 -12,-0.2 -2,-0.3 742,-0.0 -0.988 4.5-138.8-158.7 161.0 16.3 -0.5 17.8 47 119 A V E -E 33 0B 0 -14,-2.0 -14,-2.5 -2,-0.3 2,-0.2 -0.987 26.0-130.9-126.4 120.8 15.5 -4.0 19.1 48 120 A P E +E 32 0B 8 0, 0.0 -16,-0.2 0, 0.0 -17,-0.1 -0.485 24.3 178.9 -69.8 137.2 11.9 -4.8 20.1 49 121 A T - 0 0 0 -18,-2.3 20,-0.3 1,-0.3 -17,-0.2 0.073 20.4-150.0-133.2 25.2 11.6 -6.5 23.5 50 122 A A + 0 0 7 -19,-0.4 -19,-2.1 18,-0.1 2,-0.7 -0.055 67.5 17.7 52.0-133.0 7.9 -7.1 24.1 51 123 A F E S-F 69 0C 13 18,-1.1 18,-0.7 1,-0.2 -22,-0.2 -0.638 133.7 -31.9 -82.9 113.5 6.7 -7.0 27.7 52 124 A N E S- 0 0 8 -24,-2.1 54,-0.2 -2,-0.7 -1,-0.2 0.926 83.7-162.1 48.2 60.0 9.1 -5.2 30.1 53 125 A G E - 0 0 0 -3,-0.5 2,-0.3 -25,-0.2 15,-0.2 -0.355 11.4-154.7 -70.4 152.3 12.3 -6.3 28.3 54 126 A H E -F 67 0C 2 13,-2.3 13,-1.9 -23,-0.1 2,-0.3 -0.882 15.3-165.0-118.3 159.5 15.8 -6.2 29.8 55 127 A V E +F 66 0C 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 18.0 164.7-146.9 147.2 19.0 -5.9 27.8 56 128 A Q E -F 65 0C 3 9,-2.2 9,-2.8 -2,-0.3 2,-0.4 -0.964 31.0-122.5-151.7 161.8 22.7 -6.3 27.9 57 129 A V E -F 64 0C 7 -2,-0.3 7,-0.2 7,-0.2 298,-0.0 -0.894 38.0-101.8-105.5 139.1 25.5 -6.5 25.3 58 130 A S > - 0 0 2 5,-3.0 3,-2.3 -2,-0.4 5,-0.0 -0.289 30.8-119.0 -55.5 143.5 27.8 -9.5 25.2 59 131 A N T 3 S+ 0 0 52 1,-0.3 301,-0.5 57,-0.2 -1,-0.1 0.840 115.9 55.8 -58.4 -31.1 31.2 -8.7 26.8 60 132 A D T 3 S- 0 0 92 59,-0.1 -1,-0.3 300,-0.1 -2,-0.1 0.464 109.7-126.4 -81.7 0.4 32.9 -9.4 23.4 61 133 A G S < S+ 0 0 1 -3,-2.3 -2,-0.1 2,-0.2 -1,-0.1 0.473 82.4 104.6 77.9 2.4 30.7 -6.8 21.8 62 134 A K S S+ 0 0 127 26,-0.1 26,-2.3 1,-0.1 27,-0.4 0.749 76.8 36.7 -89.1 -27.0 29.3 -9.1 19.0 63 135 A K E - G 0 87C 54 24,-0.2 -5,-3.0 25,-0.2 2,-0.4 -0.907 62.0-139.5-132.2 153.4 25.8 -9.8 20.3 64 136 A I E -FG 57 86C 0 22,-2.6 22,-2.9 -2,-0.3 2,-0.5 -0.955 19.9-155.3-107.1 131.2 22.9 -8.2 22.1 65 137 A Y E -FG 56 85C 11 -9,-2.8 -9,-2.2 -2,-0.4 2,-0.3 -0.917 12.0-175.5-104.5 131.8 21.0 -10.2 24.7 66 138 A T E -FG 55 84C 0 18,-2.4 18,-2.1 -2,-0.5 2,-0.4 -0.851 11.8-157.2-118.2 160.1 17.4 -9.5 25.7 67 139 A M E +FG 54 83C 0 -13,-1.9 -13,-2.3 -2,-0.3 2,-0.3 -0.994 30.3 142.7-136.0 126.7 15.2 -11.0 28.3 68 140 A T E - G 0 82C 0 14,-2.1 14,-2.4 -2,-0.4 2,-0.4 -0.908 41.4-115.0-154.4 177.1 11.4 -10.8 27.9 69 141 A T E -FG 51 81C 2 -18,-0.7 -18,-1.1 -20,-0.3 2,-0.3 -0.998 25.1-177.2-126.6 130.2 8.0 -12.4 28.4 70 142 A Y E - G 0 80C 10 10,-2.6 10,-2.9 -2,-0.4 2,-0.3 -0.871 8.4-161.4-114.3 155.8 5.5 -13.4 25.7 71 143 A H E > - G 0 79C 15 -2,-0.3 3,-1.7 8,-0.2 8,-0.2 -0.977 33.4-114.5-128.7 152.8 2.0 -14.9 25.8 72 144 A E T 3 S+ 0 0 111 6,-1.4 5,-0.2 -2,-0.3 7,-0.1 0.837 119.8 15.7 -51.4 -38.9 0.3 -16.7 22.9 73 145 A R T 3 S- 0 0 45 3,-2.4 2,-2.5 358,-0.1 -1,-0.3 -0.043 106.0-121.3-127.3 31.2 -2.3 -13.9 22.8 74 146 A I S < S+ 0 0 35 -3,-1.7 867,-0.2 1,-0.3 -2,-0.1 -0.346 107.0 35.3 70.9 -68.1 -0.4 -11.3 24.9 75 147 A T S S+ 0 0 18 -2,-2.5 2,-0.3 -4,-0.1 -1,-0.3 0.358 130.9 24.8 -98.3 1.6 -3.0 -10.8 27.7 76 148 A R S S+ 0 0 60 2,-0.1 -3,-2.4 864,-0.0 2,-0.1 -0.963 90.9 51.5-153.5 168.4 -4.0 -14.5 27.6 77 149 A G S S- 0 0 35 -2,-0.3 2,-0.1 -5,-0.2 0, 0.0 -0.295 91.2 -17.4 93.1-178.7 -2.6 -17.8 26.6 78 150 A K - 0 0 135 -7,-0.1 -6,-1.4 -2,-0.1 2,-0.3 -0.344 63.6-129.2 -68.0 133.0 0.6 -19.7 27.5 79 151 A R E -G 71 0C 35 -8,-0.2 2,-0.4 859,-0.1 -8,-0.2 -0.594 20.4-171.6 -78.2 137.9 3.5 -17.7 28.9 80 152 A S E -G 70 0C 24 -10,-2.9 -10,-2.6 -2,-0.3 2,-0.4 -0.924 3.4-167.3-129.7 111.0 7.0 -17.9 27.4 81 153 A D E +GH 69 99C 3 18,-0.5 18,-2.7 -2,-0.4 2,-0.3 -0.808 25.9 168.4 -89.9 135.5 9.9 -16.3 29.3 82 154 A V E -GH 68 98C 1 -14,-2.4 -14,-2.1 -2,-0.4 2,-0.4 -0.954 41.0-138.2-143.0 158.0 13.0 -16.1 27.1 83 155 A V E -GH 67 97C 0 14,-2.3 14,-3.7 -2,-0.3 2,-0.4 -0.958 30.1-159.0-105.3 136.8 16.5 -14.8 26.4 84 156 A E E -GH 66 96C 0 -18,-2.1 -18,-2.4 -2,-0.4 2,-0.5 -0.960 8.2-146.0-114.2 144.0 17.0 -13.8 22.8 85 157 A V E -GH 65 95C 9 10,-2.8 9,-2.8 -2,-0.4 10,-1.7 -0.931 21.4-177.2-107.8 125.0 20.3 -13.4 21.1 86 158 A W E -GH 64 93C 13 -22,-2.9 -22,-2.6 -2,-0.5 2,-0.4 -0.907 32.9-107.4-118.7 146.3 20.5 -10.7 18.5 87 159 A D E > -G 63 0C 28 5,-2.4 4,-1.4 -2,-0.3 5,-0.4 -0.622 25.2-144.6 -71.7 131.8 23.4 -9.7 16.2 88 160 A A T 4 S+ 0 0 0 -26,-2.3 -25,-0.2 -2,-0.4 -1,-0.1 0.845 93.8 39.2 -69.8 -32.7 24.8 -6.4 17.4 89 161 A D T 4 S+ 0 0 55 -27,-0.4 -79,-2.8 1,-0.1 -1,-0.2 0.841 124.7 33.9 -87.3 -37.0 25.6 -5.0 13.9 90 162 A K T 4 S- 0 0 81 -81,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.587 94.5-137.9 -92.6 -13.6 22.6 -6.2 11.9 91 163 A L < + 0 0 0 -4,-1.4 2,-0.3 1,-0.2 -3,-0.1 0.895 54.2 142.3 51.6 49.5 20.2 -5.8 14.8 92 164 A T - 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