==== 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 2IUQ . 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) . 32646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 62.6 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 . 346 36.5 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 . 75 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.0 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 . 12 1.3 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 . 9 7 8 4 21 10 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 . 2 4 12 3 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 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, 0.0 829,-0.1 0, 0.0 830,-0.1 0.000 360.0 360.0 360.0 118.0 16.0 3.9 -10.8 2 74 A E - 0 0 61 827,-1.2 2,-0.4 1,-0.0 826,-0.1 -0.293 360.0-153.1 -69.4 149.5 16.4 3.7 -7.0 3 75 A V - 0 0 98 746,-0.0 2,-0.3 2,-0.0 746,-0.1 -0.987 10.5-134.1-129.3 123.9 16.1 0.3 -5.3 4 76 A L - 0 0 23 -2,-0.4 2,-0.3 746,-0.1 746,-0.2 -0.567 31.3-175.5 -71.4 132.3 15.0 -0.2 -1.6 5 77 A T B -a 750 0A 56 744,-0.8 746,-2.0 -2,-0.3 2,-0.2 -0.946 16.4-167.6-130.1 151.5 17.2 -2.7 0.2 6 78 A G + 0 0 29 -2,-0.3 750,-0.1 744,-0.2 776,-0.0 -0.450 58.1 80.1-110.0-165.5 17.4 -4.4 3.6 7 79 A G + 0 0 57 748,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.539 64.3 148.9 82.7 10.0 20.2 -6.4 5.2 8 80 A H - 0 0 65 743,-0.3 746,-0.3 744,-0.1 -1,-0.2 -0.366 40.2-130.4 -83.2 153.6 22.2 -3.3 6.3 9 81 A S - 0 0 52 1,-0.1 81,-0.2 744,-0.1 80,-0.1 -0.570 42.3 -75.6 -96.0 161.3 24.4 -2.9 9.3 10 82 A V - 0 0 11 79,-2.6 -1,-0.1 -2,-0.2 35,-0.1 -0.322 43.9-133.9 -56.6 139.2 24.4 -0.1 11.9 11 83 A S S S+ 0 0 77 33,-0.2 -1,-0.1 734,-0.2 -2,-0.0 0.599 79.7 61.3 -83.3 -12.9 26.0 2.9 10.3 12 84 A A S S- 0 0 10 1,-0.1 5,-0.1 32,-0.0 -2,-0.0 -0.832 93.5 -93.2-113.4 152.5 28.4 4.0 13.1 13 85 A P > - 0 0 62 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.211 35.8-111.0 -64.7 155.8 31.3 2.0 14.7 14 86 A Q G > S+ 0 0 55 1,-0.3 3,-2.1 2,-0.2 342,-0.3 0.847 115.4 64.4 -52.7 -39.0 30.6 -0.1 17.8 15 87 A E G 3 S+ 0 0 107 1,-0.3 -1,-0.3 343,-0.1 343,-0.1 0.613 100.5 52.6 -66.6 -13.2 32.7 2.3 19.9 16 88 A N G < S+ 0 0 27 -3,-2.1 22,-2.4 21,-0.1 23,-0.4 0.479 91.2 106.1 -90.9 -9.9 30.2 5.1 19.3 17 89 A R E < +C 37 0B 9 -3,-2.1 339,-2.6 -4,-0.3 2,-0.3 -0.558 39.9 177.0 -92.1 140.7 27.1 3.1 20.4 18 90 A I E -CD 36 355B 0 18,-2.5 18,-2.4 337,-0.2 2,-0.5 -0.931 20.9-137.1-128.4 161.5 25.0 3.3 23.5 19 91 A Y E -CD 35 354B 1 335,-2.9 335,-1.7 -2,-0.3 2,-0.6 -0.966 10.6-166.0-128.5 114.5 21.8 1.3 24.4 20 92 A V E -CD 34 353B 0 14,-3.0 14,-2.9 -2,-0.5 2,-0.9 -0.898 14.9-146.5-105.2 111.6 18.8 3.0 26.0 21 93 A M E -CD 33 352B 0 331,-2.5 2,-0.8 -2,-0.6 331,-0.5 -0.717 14.2-162.6 -84.4 104.5 16.4 0.5 27.4 22 94 A D E -CD 32 350B 0 10,-2.7 10,-2.2 -2,-0.9 328,-0.2 -0.798 13.4-174.1 -94.0 109.4 13.0 2.0 27.0 23 95 A S - 0 0 18 326,-2.0 29,-0.3 -2,-0.8 7,-0.2 0.781 19.1-153.5 -69.0 -25.5 10.4 0.3 29.2 24 96 A V > - 0 0 2 325,-0.4 3,-2.5 1,-0.1 6,-0.3 0.959 15.6-172.6 46.5 55.6 7.6 2.3 27.6 25 97 A F G > S+ 0 0 38 1,-0.3 3,-1.0 324,-0.2 884,-0.1 0.803 76.6 59.7 -52.9 -36.6 5.7 1.8 30.8 26 98 A M G 3 S+ 0 0 63 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.718 126.2 20.0 -62.8 -26.3 2.5 3.4 29.4 27 99 A H G X S+ 0 0 2 -3,-2.5 3,-2.8 -4,-0.1 -1,-0.3 -0.443 80.5 169.7-138.6 63.8 2.5 0.6 26.8 28 100 A L G X + 0 0 10 -3,-1.0 24,-2.0 1,-0.3 3,-0.9 0.595 67.9 69.5 -64.9 -17.7 4.8 -1.9 28.5 29 101 A T G 3 S+ 0 0 9 22,-0.2 -1,-0.3 1,-0.2 22,-0.1 0.552 99.8 52.7 -71.9 -10.2 4.1 -4.7 26.1 30 102 A E G < S+ 0 0 4 -3,-2.8 -1,-0.2 -6,-0.3 21,-0.2 -0.151 75.6 150.3-120.3 43.5 6.1 -2.7 23.4 31 103 A S < + 0 0 0 19,-1.9 18,-2.4 -3,-0.9 19,-0.4 -0.237 20.2 174.1 -61.3 155.6 9.3 -2.1 25.3 32 104 A R E -CE 22 48B 2 -10,-2.2 -10,-2.7 16,-0.2 2,-0.5 -0.987 34.8-113.1-159.6 161.4 12.4 -1.7 23.2 33 105 A V E -CE 21 47B 0 14,-2.7 14,-2.0 -2,-0.3 2,-0.5 -0.894 27.8-153.2 -96.8 126.2 16.1 -0.9 23.1 34 106 A H E -CE 20 46B 3 -14,-2.9 -14,-3.0 -2,-0.5 2,-0.5 -0.890 7.1-148.2 -99.8 131.6 17.1 2.3 21.3 35 107 A V E +CE 19 45B 0 10,-3.1 9,-3.1 -2,-0.5 10,-1.2 -0.862 22.4 178.1-103.2 123.8 20.6 2.4 19.8 36 108 A Y E -CE 18 43B 11 -18,-2.4 -18,-2.5 -2,-0.5 2,-0.6 -0.893 34.2-125.1-124.7 153.4 22.2 5.8 19.7 37 109 A D E >> -C 17 0B 6 5,-2.4 4,-2.1 -2,-0.3 3,-0.8 -0.892 21.1-160.2 -91.0 115.2 25.6 7.3 18.7 38 110 A Y T 34 S+ 0 0 25 -22,-2.4 -1,-0.1 -2,-0.6 -21,-0.1 0.683 83.9 64.7 -73.8 -17.1 26.8 9.2 21.8 39 111 A T T 34 S+ 0 0 53 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.728 126.4 5.1 -74.7 -26.4 29.2 11.4 19.7 40 112 A N T <4 S- 0 0 93 -3,-0.8 -2,-0.2 -24,-0.2 -1,-0.1 0.354 96.0-112.9-141.5 2.0 26.5 13.1 17.8 41 113 A G < + 0 0 24 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.568 59.0 156.8 76.4 6.5 23.0 12.0 19.1 42 114 A K - 0 0 99 -5,-0.4 -5,-2.4 1,-0.1 2,-0.4 -0.486 45.3-123.8 -70.9 133.9 22.1 10.1 16.0 43 115 A F E +E 36 0B 15 -2,-0.2 702,-0.3 -7,-0.2 -7,-0.2 -0.653 30.4 179.1 -73.4 124.7 19.5 7.3 16.3 44 116 A L E - 0 0 1 -9,-3.1 2,-0.3 -2,-0.4 -33,-0.2 0.664 49.1 -66.7-104.8 -25.3 21.1 4.2 14.8 45 117 A G E -E 35 0B 1 -10,-1.2 -10,-3.1 707,-0.1 -1,-0.4 -0.966 44.5-118.9 159.0-170.8 18.4 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 -0.984 4.1-138.4-159.7 161.0 16.4 -0.5 17.8 47 119 A V E -E 33 0B 0 -14,-2.0 -14,-2.7 -2,-0.3 2,-0.2 -0.990 26.3-131.1-127.9 121.0 15.6 -4.0 19.1 48 120 A P E +E 32 0B 7 0, 0.0 -16,-0.2 0, 0.0 -17,-0.1 -0.522 23.9 179.7 -71.7 138.4 11.9 -4.8 20.1 49 121 A T - 0 0 0 -18,-2.4 20,-0.3 1,-0.3 -17,-0.2 0.075 19.7-149.6-134.2 25.8 11.7 -6.5 23.5 50 122 A A > + 0 0 7 -19,-0.4 -19,-1.9 18,-0.1 2,-0.7 -0.065 68.6 15.0 51.6-135.0 7.9 -7.1 24.0 51 123 A F E 3 S-F 69 0C 13 18,-1.1 18,-0.7 1,-0.2 -22,-0.2 -0.637 134.7 -28.5 -83.0 113.3 6.8 -7.0 27.7 52 124 A N E 3 S- 0 0 7 -24,-2.0 -1,-0.2 -2,-0.7 54,-0.2 0.933 82.1-159.6 51.4 60.6 9.3 -5.4 30.1 53 125 A G E < - 0 0 0 -3,-0.5 2,-0.3 -25,-0.2 15,-0.2 -0.333 10.2-158.2 -65.1 149.6 12.5 -6.2 28.2 54 126 A H E -F 67 0C 3 13,-2.0 13,-2.0 -5,-0.1 2,-0.3 -0.906 15.0-166.9-120.4 157.5 15.9 -6.3 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 18.7 164.7-146.3 150.6 19.2 -5.9 27.7 56 128 A Q E -F 65 0C 2 9,-2.1 9,-2.9 -2,-0.3 2,-0.4 -0.958 31.6-122.0-154.7 159.3 22.9 -6.3 27.8 57 129 A V E -F 64 0C 7 -2,-0.3 7,-0.2 7,-0.2 5,-0.0 -0.869 38.3-103.1-101.5 139.4 25.7 -6.4 25.2 58 130 A S > - 0 0 1 5,-3.0 3,-2.3 -2,-0.4 -1,-0.0 -0.278 30.5-117.1 -57.0 147.4 28.0 -9.4 25.1 59 131 A N T 3 S+ 0 0 54 1,-0.3 301,-0.4 57,-0.2 -1,-0.1 0.829 115.9 55.2 -58.4 -32.6 31.4 -8.8 26.6 60 132 A D T 3 S- 0 0 85 300,-0.2 -1,-0.3 59,-0.1 -2,-0.1 0.482 110.2-124.6 -79.6 -1.7 33.0 -9.4 23.2 61 133 A G S < S+ 0 0 1 -3,-2.3 -2,-0.1 2,-0.2 -1,-0.1 0.429 83.5 104.6 80.7 0.1 30.8 -6.8 21.6 62 134 A K S S+ 0 0 129 26,-0.1 26,-2.2 25,-0.1 27,-0.4 0.761 75.5 36.5 -89.0 -27.6 29.4 -9.1 18.9 63 135 A K E - G 0 87C 53 24,-0.2 -5,-3.0 25,-0.2 2,-0.5 -0.880 61.1-139.5-130.7 155.4 25.9 -9.8 20.3 64 136 A I E -FG 57 86C 0 22,-2.7 22,-2.9 -2,-0.3 2,-0.5 -0.968 20.1-155.9-108.5 130.9 23.0 -8.2 22.1 65 137 A Y E -FG 56 85C 13 -9,-2.9 -9,-2.1 -2,-0.5 2,-0.3 -0.926 12.5-176.6-105.3 130.5 21.2 -10.3 24.7 66 138 A T E -FG 55 84C 0 18,-2.5 18,-2.5 -2,-0.5 2,-0.4 -0.864 12.5-156.5-119.1 157.3 17.6 -9.5 25.6 67 139 A M E +FG 54 83C 0 -13,-2.0 -13,-2.0 -2,-0.3 2,-0.3 -0.999 30.0 142.8-130.3 131.7 15.3 -11.0 28.2 68 140 A T E - G 0 82C 0 14,-2.2 14,-2.4 -2,-0.4 2,-0.4 -0.919 40.5-113.5-158.0 175.9 11.5 -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 -0.996 24.0-176.9-125.2 133.6 8.1 -12.5 28.3 70 142 A Y E - G 0 80C 10 10,-2.6 10,-2.8 -2,-0.4 2,-0.3 -0.895 7.9-163.0-117.7 154.0 5.6 -13.5 25.7 71 143 A H E > - G 0 79C 16 -2,-0.3 3,-1.7 8,-0.2 8,-0.2 -0.977 34.4-114.7-127.8 154.1 2.1 -15.0 25.9 72 144 A E T 3 S+ 0 0 117 6,-1.5 5,-0.2 -2,-0.3 7,-0.1 0.819 118.6 16.7 -54.9 -37.0 0.3 -16.7 23.1 73 145 A R T 3 S- 0 0 43 3,-2.4 2,-2.6 5,-0.1 -1,-0.3 -0.033 105.0-121.6-127.3 32.9 -2.3 -14.0 23.0 74 146 A I S < S+ 0 0 35 -3,-1.7 867,-0.2 1,-0.3 -2,-0.1 -0.346 107.4 34.7 68.2 -66.3 -0.4 -11.3 25.0 75 147 A T S S+ 0 0 17 -2,-2.6 2,-0.3 -4,-0.1 -1,-0.3 0.337 131.5 23.8 -99.7 1.4 -3.0 -10.9 27.7 76 148 A R S S+ 0 0 61 2,-0.1 -3,-2.4 864,-0.0 2,-0.1 -0.955 90.5 54.4-152.5 168.9 -4.0 -14.5 27.7 77 149 A G S S- 0 0 33 -2,-0.3 2,-0.1 -5,-0.2 0, 0.0 -0.252 90.2 -21.7 92.7 178.4 -2.5 -17.9 26.7 78 150 A K - 0 0 152 -7,-0.1 -6,-1.5 1,-0.1 2,-0.3 -0.314 62.5-126.7 -69.1 140.8 0.6 -19.7 27.6 79 151 A R E -G 71 0C 36 -8,-0.2 2,-0.4 859,-0.1 -8,-0.2 -0.605 20.7-172.5 -84.6 139.7 3.7 -17.8 28.9 80 152 A S E -G 70 0C 39 -10,-2.8 -10,-2.6 -2,-0.3 2,-0.4 -0.933 3.7-167.0-132.5 110.4 7.1 -18.0 27.4 81 153 A D E +GH 69 99C 3 18,-0.6 18,-2.5 -2,-0.4 2,-0.3 -0.800 25.3 169.3 -90.1 135.6 10.1 -16.3 29.3 82 154 A V E -GH 68 98C 1 -14,-2.4 -14,-2.2 -2,-0.4 2,-0.4 -0.961 40.4-137.8-143.4 158.2 13.2 -16.2 27.1 83 155 A V E -GH 67 97C 0 14,-2.1 14,-3.0 -2,-0.3 2,-0.4 -0.955 30.0-157.7-105.7 137.6 16.6 -14.8 26.4 84 156 A E E -GH 66 96C 0 -18,-2.5 -18,-2.5 -2,-0.4 2,-0.5 -0.960 7.6-147.8-115.4 140.8 17.2 -13.8 22.8 85 157 A V E -GH 65 95C 9 10,-2.9 9,-2.7 -2,-0.4 10,-1.6 -0.936 21.8-177.8-105.4 125.7 20.5 -13.5 21.1 86 158 A W E -GH 64 93C 13 -22,-2.9 -22,-2.7 -2,-0.5 2,-0.4 -0.923 33.0-107.1-120.7 147.7 20.7 -10.7 18.5 87 159 A D E > -G 63 0C 28 5,-2.5 4,-1.7 -2,-0.3 5,-0.5 -0.609 24.9-145.9 -72.9 132.2 23.5 -9.7 16.1 88 160 A A T 4 S+ 0 0 0 -26,-2.2 -25,-0.2 -2,-0.4 -1,-0.1 0.819 93.7 38.7 -71.6 -30.6 24.9 -6.4 17.3 89 161 A D T 4 S+ 0 0 55 -27,-0.4 -79,-2.6 1,-0.1 -1,-0.2 0.846 125.0 34.6 -91.5 -34.2 25.7 -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 0.607 93.8-138.8 -91.7 -12.3 22.7 -6.2 11.9 91 163 A L < + 0 0 0 -4,-1.7 2,-0.3 1,-0.2 -3,-0.1 0.899 54.9 141.2 49.9 48.3 20.2 -5.8 14.8 92 164 A T - 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