==== 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 2IUR . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,N.SCRUTTON,D.LEYS . 953 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 599 62.9 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 . 352 36.9 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 . 72 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.1 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 . 15 1.6 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 6 6 7 21 7 5 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 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 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 0 234 0, 0.0 2,-0.2 0, 0.0 829,-0.2 0.000 360.0 360.0 360.0 135.9 15.6 3.6 -10.5 2 74 A E - 0 0 59 827,-2.1 2,-0.4 2,-0.0 826,-0.1 -0.572 360.0-157.8 -80.0 153.2 16.1 3.4 -6.7 3 75 A V - 0 0 101 -2,-0.2 2,-0.5 746,-0.1 746,-0.0 -0.995 15.3-130.2-135.2 128.0 15.4 0.2 -4.8 4 76 A L - 0 0 16 -2,-0.4 2,-0.3 754,-0.1 746,-0.2 -0.663 34.8-173.7 -75.9 123.2 14.6 -0.2 -1.1 5 77 A T B -a 750 0A 57 744,-1.6 746,-2.4 -2,-0.5 2,-0.2 -0.858 14.7-164.3-119.6 152.4 16.9 -2.7 0.5 6 78 A G + 0 0 28 -2,-0.3 750,-0.1 744,-0.2 776,-0.0 -0.437 57.5 79.9-108.0-164.6 17.2 -4.4 3.9 7 79 A G + 0 0 57 748,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.567 64.1 149.2 79.8 14.6 19.9 -6.4 5.5 8 80 A H - 0 0 66 743,-0.3 746,-0.3 -3,-0.1 -1,-0.2 -0.413 40.5-129.0 -86.6 154.3 21.9 -3.4 6.6 9 81 A S - 0 0 51 1,-0.1 81,-0.2 -2,-0.1 80,-0.1 -0.550 43.0 -75.5 -92.7 160.1 24.2 -2.9 9.6 10 82 A V - 0 0 10 79,-2.5 -1,-0.1 -2,-0.2 35,-0.1 -0.303 43.7-133.4 -54.6 136.0 24.1 -0.1 12.1 11 83 A S S S+ 0 0 77 33,-0.3 -1,-0.1 734,-0.2 -2,-0.0 0.603 80.8 60.4 -79.3 -13.9 25.7 2.9 10.5 12 84 A A S S- 0 0 10 1,-0.1 5,-0.1 32,-0.1 -2,-0.0 -0.843 94.1 -92.9-113.2 153.0 28.1 4.0 13.3 13 85 A P > - 0 0 62 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.219 35.6-111.3 -63.2 155.6 30.9 2.0 14.9 14 86 A Q G > S+ 0 0 56 1,-0.3 3,-2.0 2,-0.2 342,-0.3 0.837 115.0 65.0 -53.4 -39.0 30.3 -0.1 18.0 15 87 A E G 3 S+ 0 0 106 1,-0.3 -1,-0.3 340,-0.1 343,-0.1 0.663 100.2 51.5 -65.4 -15.2 32.4 2.3 20.1 16 88 A N G < S+ 0 0 27 -3,-2.3 22,-2.5 21,-0.1 23,-0.4 0.486 91.1 107.9 -91.7 -6.4 29.9 5.1 19.5 17 89 A R E < +C 37 0B 9 -3,-2.0 339,-2.7 -4,-0.3 2,-0.3 -0.578 39.7 177.8 -91.9 141.1 26.8 3.1 20.6 18 90 A I E -CD 36 355B 0 18,-2.5 18,-2.2 -2,-0.3 2,-0.5 -0.909 20.0-138.4-128.7 159.6 24.6 3.3 23.7 19 91 A Y E -CD 35 354B 1 335,-2.9 335,-1.8 -2,-0.3 2,-0.7 -0.973 9.9-166.1-126.1 114.5 21.5 1.4 24.6 20 92 A V E -CD 34 353B 0 14,-3.1 14,-2.8 -2,-0.5 2,-0.9 -0.906 15.6-145.5-105.4 112.6 18.5 3.1 26.2 21 93 A M E -CD 33 352B 0 331,-2.5 2,-0.9 -2,-0.7 330,-0.5 -0.707 14.8-162.2 -82.8 102.5 16.1 0.6 27.7 22 94 A D E -CD 32 350B 0 10,-2.8 10,-2.2 -2,-0.9 328,-0.2 -0.807 13.2-173.8 -91.8 109.9 12.7 2.1 27.2 23 95 A S - 0 0 12 326,-2.0 29,-0.3 -2,-0.9 7,-0.2 0.775 18.5-153.9 -69.1 -24.8 10.1 0.4 29.4 24 96 A V > - 0 0 2 325,-0.3 3,-2.7 1,-0.1 6,-0.3 0.954 16.1-173.7 44.0 58.3 7.3 2.3 27.7 25 97 A F G > S+ 0 0 29 1,-0.3 3,-0.9 324,-0.2 887,-0.1 0.808 77.0 60.1 -57.5 -32.1 5.5 1.9 31.0 26 98 A M G 3 S+ 0 0 68 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.727 126.1 19.5 -63.6 -25.0 2.3 3.4 29.6 27 99 A H G X S+ 0 0 2 -3,-2.7 3,-2.7 -4,-0.1 -1,-0.3 -0.433 80.8 170.2-141.7 65.0 2.3 0.6 27.0 28 100 A L G X + 0 0 15 -3,-0.9 24,-2.1 1,-0.3 3,-0.9 0.580 68.1 68.7 -69.6 -16.9 4.6 -1.9 28.8 29 101 A T G 3 S+ 0 0 9 22,-0.2 -1,-0.3 1,-0.2 22,-0.1 0.523 100.2 52.7 -72.1 -7.3 3.9 -4.7 26.3 30 102 A E G < S+ 0 0 3 -3,-2.7 -1,-0.2 -6,-0.3 -2,-0.2 -0.093 75.6 149.0-124.4 43.6 5.8 -2.7 23.7 31 103 A S < + 0 0 1 19,-1.8 18,-2.5 -3,-0.9 19,-0.4 -0.208 20.5 171.0 -65.2 156.4 9.0 -2.0 25.6 32 104 A R E -CE 22 48B 2 -10,-2.2 -10,-2.8 16,-0.3 2,-0.5 -0.988 35.7-110.2-161.5 165.7 12.2 -1.7 23.4 33 105 A V E -CE 21 47B 0 14,-2.7 14,-2.1 -2,-0.3 2,-0.5 -0.913 27.3-153.1-101.9 128.8 15.8 -0.9 23.4 34 106 A H E -CE 20 46B 3 -14,-2.8 -14,-3.1 -2,-0.5 2,-0.5 -0.880 7.2-148.9-102.7 133.4 16.8 2.3 21.5 35 107 A V E +CE 19 45B 0 10,-3.0 9,-3.0 -2,-0.5 10,-1.2 -0.865 22.6 175.8-105.8 122.2 20.3 2.4 20.0 36 108 A Y E -CE 18 43B 11 -18,-2.2 -18,-2.5 -2,-0.5 2,-0.6 -0.912 35.5-122.5-123.2 155.9 21.9 5.9 19.8 37 109 A D E >> -C 17 0B 6 5,-2.4 4,-2.0 -2,-0.3 3,-0.9 -0.899 21.0-159.0 -91.1 115.1 25.3 7.3 18.9 38 110 A Y T 34 S+ 0 0 24 -22,-2.5 -1,-0.1 -2,-0.6 -21,-0.1 0.680 84.7 65.3 -70.5 -19.6 26.4 9.2 22.0 39 111 A T T 34 S+ 0 0 53 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.719 126.1 4.8 -75.2 -23.3 28.8 11.4 19.9 40 112 A N T <4 S- 0 0 94 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.361 96.4-112.4-142.3 1.9 26.1 13.2 17.9 41 113 A G < + 0 0 23 -4,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.583 59.1 158.2 73.2 10.6 22.7 12.0 19.3 42 114 A K - 0 0 100 -5,-0.4 -5,-2.4 1,-0.1 2,-0.5 -0.485 43.7-125.0 -73.5 133.3 21.8 10.1 16.2 43 115 A F E +E 36 0B 15 -2,-0.2 -7,-0.2 -7,-0.2 702,-0.2 -0.671 30.2 178.2 -74.5 122.8 19.2 7.3 16.4 44 116 A L E - 0 0 0 -9,-3.0 2,-0.3 -2,-0.5 -33,-0.3 0.623 48.8 -66.6-103.6 -23.4 20.7 4.2 15.0 45 117 A G E -E 35 0B 1 -10,-1.2 -10,-3.0 707,-0.1 -1,-0.3 -0.962 44.1-118.1 157.0-172.8 18.0 1.5 15.5 46 118 A M E -E 34 0B 1 707,-0.4 -12,-0.2 -2,-0.3 742,-0.0 -0.990 4.0-139.0-157.0 161.3 16.1 -0.5 18.0 47 119 A V E -E 33 0B 0 -14,-2.1 -14,-2.7 -2,-0.3 2,-0.2 -0.993 27.0-130.9-127.5 120.0 15.3 -4.0 19.3 48 120 A P E -E 32 0B 8 0, 0.0 -16,-0.3 0, 0.0 -17,-0.1 -0.540 23.6-179.5 -70.5 139.9 11.7 -4.8 20.3 49 121 A T - 0 0 0 -18,-2.5 20,-0.3 1,-0.3 -17,-0.2 0.101 19.5-148.6-135.3 29.0 11.4 -6.5 23.8 50 122 A A > + 0 0 8 -19,-0.4 -19,-1.8 18,-0.1 2,-0.7 -0.089 68.3 14.3 49.8-135.0 7.7 -7.2 24.3 51 123 A F E 3 S-F 69 0C 12 18,-1.2 18,-0.7 1,-0.3 -22,-0.2 -0.631 133.7 -29.3 -84.1 120.3 6.5 -7.0 28.0 52 124 A N E 3 S- 0 0 7 -24,-2.1 -1,-0.3 -2,-0.7 54,-0.2 0.929 83.2-161.3 45.2 60.9 9.0 -5.3 30.4 53 125 A G E < - 0 0 0 -3,-0.5 2,-0.3 -25,-0.2 15,-0.2 -0.267 11.2-156.5 -71.5 150.2 12.1 -6.2 28.6 54 126 A H E -F 67 0C 2 13,-2.1 13,-2.1 -5,-0.1 2,-0.3 -0.920 15.3-166.8-118.0 159.0 15.6 -6.2 30.1 55 127 A V E +F 66 0C 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.991 18.4 165.1-147.0 149.4 18.8 -5.8 28.0 56 128 A Q E -F 65 0C 2 9,-2.2 9,-2.9 -2,-0.3 2,-0.4 -0.963 31.3-122.3-154.4 160.1 22.5 -6.2 28.1 57 129 A V E -F 64 0C 7 -2,-0.3 7,-0.2 7,-0.2 298,-0.0 -0.881 38.9-100.2-101.4 141.5 25.3 -6.3 25.5 58 130 A S > - 0 0 1 5,-2.9 3,-2.4 -2,-0.4 5,-0.0 -0.282 30.4-119.8 -57.3 143.8 27.6 -9.3 25.4 59 131 A N T 3 S+ 0 0 50 1,-0.3 301,-0.5 57,-0.2 -1,-0.1 0.827 115.2 55.5 -59.0 -29.0 30.9 -8.6 27.0 60 132 A D T 3 S- 0 0 89 299,-0.1 -1,-0.3 59,-0.1 -2,-0.1 0.482 110.7-124.3 -82.3 -0.0 32.7 -9.3 23.6 61 133 A G S < S+ 0 0 1 -3,-2.4 -2,-0.1 2,-0.2 -1,-0.1 0.477 83.3 104.2 80.8 -1.2 30.5 -6.7 21.9 62 134 A K S S+ 0 0 128 26,-0.1 26,-2.2 25,-0.1 27,-0.4 0.731 75.9 34.6 -89.0 -27.2 29.1 -9.1 19.3 63 135 A K E - G 0 87C 50 24,-0.2 -5,-2.9 25,-0.2 2,-0.5 -0.895 61.6-138.9-132.3 154.6 25.5 -9.8 20.5 64 136 A I E -FG 57 86C 0 22,-2.6 22,-2.8 -2,-0.3 2,-0.5 -0.966 21.0-155.3-108.9 133.6 22.7 -8.1 22.3 65 137 A Y E -FG 56 85C 10 -9,-2.9 -9,-2.2 -2,-0.5 2,-0.3 -0.941 11.8-175.7-107.4 134.9 20.8 -10.2 24.9 66 138 A T E -FG 55 84C 0 18,-2.3 18,-2.5 -2,-0.5 2,-0.4 -0.881 12.2-157.6-122.7 158.0 17.2 -9.5 25.9 67 139 A M E +FG 54 83C 0 -13,-2.1 -13,-2.1 -2,-0.3 2,-0.3 -0.998 30.7 140.9-131.6 133.4 15.0 -11.0 28.5 68 140 A T E - G 0 82C 0 14,-2.1 14,-2.4 -2,-0.4 2,-0.4 -0.897 42.4-112.8-161.2 174.5 11.2 -10.8 28.2 69 141 A T E -FG 51 81C 2 -18,-0.7 -18,-1.2 -20,-0.3 2,-0.3 -0.997 25.7-177.6-123.5 131.5 7.8 -12.4 28.6 70 142 A Y E - G 0 80C 11 10,-2.5 10,-3.0 -2,-0.4 2,-0.3 -0.866 7.6-162.4-113.8 157.4 5.4 -13.4 25.9 71 143 A H E > - G 0 79C 14 -2,-0.3 3,-1.7 8,-0.2 8,-0.2 -0.982 33.9-113.5-132.2 153.5 1.9 -15.0 26.0 72 144 A E T 3 S+ 0 0 113 6,-1.4 5,-0.2 -2,-0.3 7,-0.1 0.822 119.4 15.4 -51.0 -38.1 0.1 -16.7 23.2 73 145 A R T 3 S- 0 0 44 3,-2.3 2,-2.5 5,-0.1 -1,-0.3 -0.066 104.9-121.1-130.2 32.8 -2.5 -13.9 23.1 74 146 A I S < S+ 0 0 33 -3,-1.7 870,-0.2 1,-0.3 -2,-0.1 -0.366 107.4 35.0 68.0 -67.1 -0.6 -11.3 25.2 75 147 A T S S+ 0 0 17 -2,-2.5 2,-0.3 -4,-0.1 -1,-0.3 0.370 130.6 24.9 -99.5 -0.2 -3.2 -10.8 27.9 76 148 A R S S+ 0 0 60 2,-0.1 -3,-2.3 -5,-0.0 2,-0.1 -0.948 90.9 52.3-151.1 168.8 -4.2 -14.5 27.9 77 149 A G S S- 0 0 36 -2,-0.3 2,-0.0 -5,-0.2 0, 0.0 -0.201 90.8 -18.3 91.6-179.4 -2.7 -17.9 26.9 78 150 A K - 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