==== 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 2IUV . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,N.SCRUTTON,D.LEYS . 948 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32319.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 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 . 351 37.0 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 . 71 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 5 7 5 22 8 3 0 3 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 3 11 5 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 0 200 0, 0.0 2,-0.2 0, 0.0 825,-0.2 0.000 360.0 360.0 360.0 122.7 6.9 9.4 48.8 2 74 A E - 0 0 54 823,-2.8 2,-0.4 825,-0.0 822,-0.1 -0.628 360.0-152.3-113.4 162.2 10.3 11.0 48.6 3 75 A V - 0 0 103 -2,-0.2 2,-0.5 742,-0.1 822,-0.1 -0.999 18.1-131.5-135.5 129.5 11.8 14.4 48.3 4 76 A L - 0 0 22 -2,-0.4 2,-0.3 750,-0.1 742,-0.2 -0.720 31.9-173.6 -81.4 126.0 15.1 15.4 46.7 5 77 A T B -a 746 0A 59 740,-1.8 742,-2.6 -2,-0.5 2,-0.2 -0.888 13.9-172.5-120.8 152.2 17.3 17.6 48.9 6 78 A G + 0 0 27 -2,-0.3 746,-0.1 740,-0.2 772,-0.0 -0.448 55.1 82.5-114.7-162.0 20.6 19.5 48.6 7 79 A G + 0 0 69 744,-0.5 -1,-0.1 741,-0.2 2,-0.1 0.618 65.4 150.1 77.2 16.5 22.7 21.4 51.1 8 80 A H - 0 0 66 739,-0.3 742,-0.3 743,-0.2 2,-0.2 -0.361 39.1-130.1 -85.0 157.7 24.4 18.2 52.3 9 81 A S - 0 0 65 1,-0.1 81,-0.2 740,-0.1 80,-0.1 -0.638 41.9 -73.5-100.5 163.6 27.9 17.7 53.6 10 82 A V - 0 0 12 79,-2.9 -1,-0.1 -2,-0.2 35,-0.1 -0.298 45.0-138.3 -55.6 134.8 30.6 15.3 52.7 11 83 A S S S+ 0 0 75 33,-0.2 -1,-0.1 730,-0.2 -2,-0.0 0.657 78.1 63.6 -83.5 -17.5 29.5 12.0 54.1 12 84 A A S S- 0 0 9 1,-0.1 5,-0.1 2,-0.0 -2,-0.0 -0.751 94.4 -94.7-103.8 152.1 32.8 10.7 55.5 13 85 A P > - 0 0 66 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.277 36.4-109.3 -63.5 153.3 34.8 12.4 58.3 14 86 A Q G > S+ 0 0 56 1,-0.3 3,-2.1 2,-0.2 342,-0.3 0.863 115.7 64.5 -50.1 -39.9 37.6 14.8 57.3 15 87 A E G 3 S+ 0 0 110 1,-0.3 -1,-0.3 340,-0.1 343,-0.1 0.637 101.2 51.6 -63.0 -14.9 40.3 12.3 58.4 16 88 A N G < S+ 0 0 26 -3,-2.2 22,-2.5 21,-0.1 23,-0.4 0.536 90.6 105.7 -94.6 -7.7 39.2 9.9 55.7 17 89 A R E < +C 37 0B 11 -3,-2.1 339,-2.4 -4,-0.4 2,-0.3 -0.527 40.0 178.0 -93.5 140.3 39.4 12.4 52.8 18 90 A I E -CD 36 355B 0 18,-2.5 18,-2.2 -2,-0.2 2,-0.5 -0.905 21.0-136.4-130.1 159.5 41.9 12.8 50.0 19 91 A Y E -CD 35 354B 0 335,-2.7 335,-1.7 -2,-0.3 2,-0.6 -0.974 10.7-165.2-126.6 113.6 42.0 15.3 47.1 20 92 A V E -CD 34 353B 0 14,-3.1 14,-3.0 -2,-0.5 2,-1.0 -0.908 14.2-146.9-103.0 112.2 42.8 14.1 43.6 21 93 A M E -CD 33 352B 0 331,-2.7 2,-0.8 -2,-0.6 331,-0.5 -0.719 15.0-163.4 -83.9 103.1 43.5 17.1 41.4 22 94 A D E -CD 32 350B 0 10,-2.6 10,-2.2 -2,-1.0 328,-0.2 -0.804 12.8-173.8 -94.1 108.6 42.3 16.1 37.9 23 95 A S - 0 0 12 326,-2.0 29,-0.3 -2,-0.8 7,-0.2 0.770 18.6-153.2 -67.6 -27.2 43.7 18.3 35.2 24 96 A V > - 0 0 2 325,-0.4 3,-2.5 1,-0.1 6,-0.3 0.951 16.6-173.9 47.3 56.7 41.6 16.6 32.6 25 97 A F G > S+ 0 0 29 1,-0.3 3,-1.0 324,-0.2 882,-0.1 0.823 76.6 60.9 -56.7 -31.5 44.3 17.6 30.1 26 98 A M G 3 S+ 0 0 65 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.757 126.1 18.9 -65.8 -22.2 42.2 16.4 27.1 27 99 A H G X S+ 0 0 2 -3,-2.5 3,-2.5 -4,-0.1 -1,-0.3 -0.476 80.7 171.6-143.8 64.2 39.6 19.0 28.2 28 100 A L G X + 0 0 14 -3,-1.0 24,-2.1 1,-0.3 3,-0.9 0.579 68.6 69.7 -64.1 -15.4 41.7 21.3 30.4 29 101 A T G 3 S+ 0 0 9 22,-0.2 -1,-0.3 1,-0.2 22,-0.1 0.513 99.5 51.9 -78.5 -1.7 39.0 23.9 30.7 30 102 A E G < S+ 0 0 4 -3,-2.5 -1,-0.2 -6,-0.3 21,-0.2 -0.152 75.0 150.0-126.5 38.2 37.0 21.5 32.9 31 103 A S < + 0 0 1 19,-1.9 18,-2.6 -3,-0.9 19,-0.4 -0.266 20.6 174.7 -59.5 157.5 39.6 20.5 35.4 32 104 A R E -CE 22 48B 3 -10,-2.2 -10,-2.6 16,-0.3 2,-0.5 -0.986 34.7-111.8-161.6 161.7 38.3 19.5 38.9 33 105 A V E -CE 21 47B 0 14,-2.8 14,-2.1 -2,-0.3 2,-0.5 -0.900 27.5-154.3 -98.6 126.5 39.2 18.2 42.3 34 106 A H E -CE 20 46B 3 -14,-3.0 -14,-3.1 -2,-0.5 2,-0.5 -0.905 7.3-150.3-101.3 128.3 37.8 14.7 43.1 35 107 A V E +CE 19 45B 0 10,-3.1 9,-3.1 -2,-0.5 10,-1.2 -0.875 22.3 177.0-102.3 125.4 37.3 14.1 46.8 36 108 A Y E -CE 18 43B 10 -18,-2.2 -18,-2.5 -2,-0.5 2,-0.6 -0.875 35.6-121.7-126.4 157.3 37.7 10.4 47.8 37 109 A D E >> -C 17 0B 7 5,-2.5 4,-2.0 -2,-0.3 3,-0.8 -0.911 21.9-160.0 -95.1 114.3 37.6 8.4 51.0 38 110 A Y T 34 S+ 0 0 22 -22,-2.5 -1,-0.1 -2,-0.6 -21,-0.1 0.704 84.1 65.2 -70.4 -19.3 41.0 6.6 51.1 39 111 A T T 34 S+ 0 0 49 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.720 126.3 4.6 -77.4 -23.4 39.8 4.0 53.5 40 112 A N T <4 S- 0 0 94 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.345 97.0-112.4-142.5 -0.1 37.3 2.4 51.1 41 113 A G < + 0 0 21 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.612 58.4 158.9 75.1 16.1 37.7 4.2 47.8 42 114 A K - 0 0 100 -5,-0.4 -5,-2.5 1,-0.1 2,-0.5 -0.517 43.3-125.2 -75.7 133.8 34.4 5.9 47.9 43 115 A F E +E 36 0B 14 -2,-0.3 -7,-0.2 -7,-0.2 698,-0.2 -0.674 29.8 179.2 -74.4 126.1 33.9 9.0 45.7 44 116 A L E - 0 0 0 -9,-3.1 2,-0.3 -2,-0.5 -33,-0.2 0.620 48.6 -67.0-106.5 -21.3 32.7 11.8 48.0 45 117 A G E -E 35 0B 0 -10,-1.2 -10,-3.1 703,-0.1 -1,-0.4 -0.957 44.9-116.5 156.0-172.0 32.3 14.8 45.8 46 118 A M E -E 34 0B 1 703,-0.4 -12,-0.2 -2,-0.3 738,-0.0 -0.989 3.4-139.4-157.2 161.1 34.1 17.3 43.7 47 119 A V E -E 33 0B 0 -14,-2.1 -14,-2.8 -2,-0.3 2,-0.1 -0.983 26.8-131.7-127.4 120.2 35.1 21.0 43.2 48 120 A P E -E 32 0B 6 0, 0.0 -16,-0.3 0, 0.0 -17,-0.1 -0.455 23.5-179.9 -70.1 140.8 35.1 22.4 39.6 49 121 A T - 0 0 0 -18,-2.6 20,-0.3 1,-0.3 -17,-0.2 0.065 19.8-148.7-136.9 26.9 38.3 24.4 38.8 50 122 A A > + 0 0 9 -19,-0.4 -19,-1.9 18,-0.1 2,-0.6 -0.032 68.6 15.5 49.4-136.3 37.9 25.6 35.2 51 123 A F E 3 S-F 69 0C 13 18,-1.3 18,-0.8 1,-0.2 -22,-0.2 -0.637 134.1 -29.2 -82.0 116.3 41.2 25.9 33.2 52 124 A N E 3 S- 0 0 7 -24,-2.1 -1,-0.2 -2,-0.6 54,-0.2 0.921 82.7-160.2 51.2 58.8 44.1 24.1 34.8 53 125 A G E < - 0 0 0 -3,-0.5 2,-0.3 -25,-0.2 15,-0.2 -0.300 10.6-158.1 -67.2 152.2 43.1 24.4 38.4 54 126 A H E -F 67 0C 3 13,-1.9 13,-2.2 -23,-0.1 2,-0.3 -0.920 15.0-165.9-121.7 157.4 45.4 24.0 41.3 55 127 A V E +F 66 0C 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.980 18.2 165.5-145.8 148.6 44.2 23.0 44.8 56 128 A Q E -F 65 0C 3 9,-2.3 9,-3.0 -2,-0.3 2,-0.4 -0.962 31.5-121.3-152.5 163.4 45.2 22.9 48.5 57 129 A V E -F 64 0C 8 -2,-0.3 7,-0.2 7,-0.2 298,-0.0 -0.898 37.9-103.3-106.9 138.5 43.4 22.4 51.8 58 130 A S > - 0 0 1 5,-2.8 3,-2.1 -2,-0.4 -1,-0.0 -0.236 30.2-116.8 -56.4 146.0 43.6 25.1 54.5 59 131 A N T 3 S+ 0 0 73 1,-0.3 -1,-0.1 57,-0.2 60,-0.1 0.835 116.3 54.9 -57.4 -33.6 45.9 24.2 57.3 60 132 A D T 3 S- 0 0 101 59,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.492 109.7-124.5 -80.2 -5.3 43.0 24.2 59.7 61 133 A G S < S+ 0 0 0 -3,-2.1 -2,-0.1 2,-0.2 -1,-0.1 0.506 84.0 105.5 82.2 5.2 41.1 21.8 57.5 62 134 A K S S+ 0 0 131 26,-0.1 26,-2.2 1,-0.1 27,-0.4 0.736 75.6 34.6 -90.7 -28.0 38.0 24.1 57.2 63 135 A K E - G 0 87C 50 24,-0.2 -5,-2.8 25,-0.1 2,-0.4 -0.890 61.7-138.9-131.7 156.2 38.4 25.3 53.6 64 136 A I E -FG 57 86C 0 22,-2.8 22,-3.1 -2,-0.3 2,-0.5 -0.962 21.0-154.8-109.5 132.8 39.6 24.2 50.2 65 137 A Y E -FG 56 85C 12 -9,-3.0 -9,-2.3 -2,-0.4 2,-0.3 -0.937 13.0-175.8-107.3 131.4 41.6 26.8 48.2 66 138 A T E -FG 55 84C 0 18,-2.5 18,-2.7 -2,-0.5 2,-0.4 -0.886 12.6-156.8-120.1 158.2 41.7 26.6 44.4 67 139 A M E +FG 54 83C 0 -13,-2.2 -13,-1.9 -2,-0.3 2,-0.3 -0.999 30.3 140.4-130.6 133.3 43.5 28.7 41.9 68 140 A T E - G 0 82C 0 14,-2.1 14,-2.5 -2,-0.4 2,-0.4 -0.941 41.8-111.8-159.8 177.4 42.3 29.0 38.3 69 141 A T E -FG 51 81C 2 -18,-0.8 -18,-1.3 -20,-0.3 2,-0.3 -0.991 25.1-176.9-126.5 134.2 41.8 31.1 35.2 70 142 A Y E - G 0 80C 12 10,-2.4 10,-2.8 -2,-0.4 2,-0.3 -0.865 7.8-162.6-116.7 154.9 38.6 32.3 33.6 71 143 A H E > - G 0 79C 16 -2,-0.3 3,-1.9 8,-0.2 8,-0.2 -0.987 33.4-115.8-130.3 153.1 37.8 34.2 30.5 72 144 A E T 3 S+ 0 0 113 6,-1.3 5,-0.2 -2,-0.3 7,-0.1 0.826 119.3 16.7 -51.8 -38.4 34.5 36.0 29.7 73 145 A R T 3 S- 0 0 41 3,-2.4 2,-2.7 5,-0.1 -1,-0.3 -0.058 105.0-121.8-128.8 33.7 34.0 33.7 26.8 74 146 A I S < S+ 0 0 35 -3,-1.9 865,-0.2 1,-0.3 -2,-0.1 -0.342 107.4 34.7 66.4 -68.9 36.5 30.9 27.7 75 147 A T S S+ 0 0 16 -2,-2.7 2,-0.3 -4,-0.1 -1,-0.3 0.349 131.2 23.7 -98.9 2.4 38.6 31.1 24.5 76 148 A R S S+ 0 0 59 2,-0.1 -3,-2.4 -5,-0.0 2,-0.1 -0.955 90.3 55.1-151.2 171.6 38.1 34.9 24.1 77 149 A G S S- 0 0 38 -2,-0.3 2,-0.1 -5,-0.2 0, 0.0 -0.299 91.5 -19.8 91.5 178.3 37.3 37.9 26.3 78 150 A K - 0 0 147 -7,-0.1 -6,-1.3 -2,-0.1 2,-0.3 -0.335 62.8-127.7 -67.9 136.8 38.9 39.3 29.5 79 151 A R E -G 71 0C 38 -8,-0.2 2,-0.4 857,-0.1 -8,-0.2 -0.619 21.6-172.9 -79.4 137.3 41.1 37.0 31.6 80 152 A S E -G 70 0C 34 -10,-2.8 -10,-2.4 -2,-0.3 2,-0.4 -0.914 4.1-167.5-132.5 109.4 40.5 36.6 35.3 81 153 A D E +GH 69 99C 2 18,-0.5 18,-2.5 -2,-0.4 2,-0.3 -0.791 25.2 170.0 -89.4 134.9 43.0 34.7 37.4 82 154 A V E -GH 68 98C 0 -14,-2.5 -14,-2.1 -2,-0.4 2,-0.4 -0.944 39.9-137.7-141.0 157.5 41.7 33.9 40.9 83 155 A V E -GH 67 97C 0 14,-2.2 14,-3.2 -2,-0.3 2,-0.4 -0.952 30.2-158.3-103.6 139.8 42.0 32.1 44.1 84 156 A E E -GH 66 96C 0 -18,-2.7 -18,-2.5 -2,-0.4 2,-0.5 -0.953 7.8-147.1-117.7 142.4 38.7 30.7 45.3 85 157 A V E -GH 65 95C 13 10,-2.7 9,-2.6 -2,-0.4 10,-1.5 -0.953 21.1-176.8-107.7 124.2 37.8 29.7 48.8 86 158 A W E -GH 64 93C 13 -22,-3.1 -22,-2.8 -2,-0.5 2,-0.4 -0.899 32.1-108.6-118.3 147.0 35.4 26.8 49.2 87 159 A D E > -G 63 0C 27 5,-2.5 4,-1.8 -2,-0.3 5,-0.5 -0.630 25.3-145.4 -73.0 130.1 33.9 25.2 52.3 88 160 A A T 4 S+ 0 0 0 -26,-2.2 -25,-0.1 -2,-0.4 -1,-0.1 0.827 93.2 38.2 -69.7 -34.7 35.5 21.9 52.9 89 161 A D T 4 S+ 0 0 56 -27,-0.4 -79,-2.9 1,-0.1 -1,-0.2 0.827 125.5 35.2 -88.9 -32.5 32.4 20.0 54.2 90 162 A K T 4 S- 0 0 107 -81,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.623 93.6-139.7 -91.1 -17.1 29.7 21.5 52.0 91 163 A L < + 0 0 0 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.897 54.0 141.4 50.7 48.7 32.0 21.7 48.9 92 164 A T - 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