==== 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 11-AUG-06 2I0R . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,D.LEYS . 965 5 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 62.5 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 . 350 36.3 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 . 8 6 6 7 21 8 4 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 59 D H >> 0 0 94 0, 0.0 3,-2.2 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -77.8 20.9 15.8 -9.5 2 60 D I G >4 + 0 0 77 1,-0.3 3,-1.3 2,-0.2 6,-0.2 0.856 360.0 55.7 -55.9 -40.1 21.0 17.1 -5.8 3 61 D S G 34 S+ 0 0 15 1,-0.3 -1,-0.3 6,-0.0 56,-0.1 0.591 109.0 48.4 -70.1 -10.4 17.2 17.1 -5.5 4 62 D L G <4 S+ 0 0 14 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.432 101.4 68.1-104.8 -1.8 17.1 13.5 -6.5 5 63 D N XX + 0 0 50 -3,-1.3 3,-1.7 -4,-0.5 4,-0.7 -0.719 52.3 174.4-126.4 80.5 19.8 12.2 -4.1 6 64 D P G >4 S+ 0 0 10 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.758 75.4 67.3 -59.6 -27.7 18.7 12.4 -0.5 7 65 D D G 34 S+ 0 0 108 1,-0.2 4,-0.1 7,-0.0 -2,-0.0 0.732 106.3 42.7 -66.6 -22.2 21.8 10.7 0.8 8 66 D L G <4 S+ 0 0 145 -3,-1.7 -1,-0.2 -6,-0.2 3,-0.1 0.574 104.1 86.6 -93.6 -14.6 23.9 13.7 -0.3 9 67 D A S << S- 0 0 40 -4,-0.7 2,-0.3 -3,-0.6 -6,-0.0 -0.250 96.0 -72.6 -86.6 171.4 21.4 16.3 1.0 10 68 D N - 0 0 111 1,-0.1 5,-0.2 2,-0.0 -1,-0.2 -0.481 39.1-141.8 -62.7 124.8 21.0 17.9 4.3 11 69 D E 0 0 111 -2,-0.3 4,-2.7 1,-0.2 -1,-0.1 0.851 360.0 360.0 -58.8 -38.3 19.5 15.3 6.7 12 70 D D 0 0 137 2,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.897 360.0 360.0 -64.4 360.0 17.2 17.9 8.4 13 ! 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 14 72 D V 0 0 14 0, 0.0 -2,-0.2 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 -34.1 15.2 14.9 4.0 15 73 D N + 0 0 36 -4,-2.7 2,-0.3 -5,-0.2 14,-0.1 0.285 360.0 97.9 -83.6 12.2 13.8 14.1 7.4 16 74 D S S > S- 0 0 44 -5,-0.1 3,-1.6 1,-0.1 6,-0.2 -0.785 76.1-133.8-104.8 144.1 11.1 16.7 7.0 17 75 D a T 3 S+ 0 0 40 -2,-0.3 8,-0.2 1,-0.3 -1,-0.1 0.656 106.9 63.0 -66.9 -16.7 7.5 16.0 5.9 18 76 D D T 3 S+ 0 0 148 3,-0.0 -1,-0.3 66,-0.0 5,-0.1 0.478 70.3 122.4 -85.9 -6.9 7.9 19.0 3.5 19 77 D Y S X S- 0 0 34 -3,-1.6 3,-2.1 1,-0.1 0, 0.0 -0.391 75.2-118.7 -56.6 134.5 10.6 17.3 1.5 20 78 D W T 3 S+ 0 0 20 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.759 107.4 50.8 -57.6 -31.9 9.3 17.2 -2.0 21 79 D R T 3 S+ 0 0 0 1,-0.2 3,-0.3 2,-0.1 2,-0.3 0.598 94.3 74.0 -86.1 -8.2 9.2 13.4 -2.5 22 80 D H X + 0 0 0 -3,-2.1 3,-1.0 1,-0.2 62,-0.2 -0.137 59.6 128.6 -89.9 41.2 7.3 12.8 0.8 23 81 D b T 3 S+ 0 0 18 -3,-0.4 63,-2.5 -2,-0.3 -1,-0.2 0.653 76.7 26.8 -85.3 -14.1 4.1 14.1 -0.7 24 82 D A T 3 S+ 0 0 4 -3,-0.3 2,-0.5 61,-0.2 -1,-0.3 -0.209 86.3 142.2-134.8 49.1 1.8 11.1 0.2 25 83 D V < - 0 0 0 -3,-1.0 59,-2.0 -8,-0.2 2,-0.5 -0.767 25.1-179.4 -95.6 125.5 3.5 9.7 3.3 26 84 D D E +A 83 0A 14 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.937 57.6 26.3-120.1 99.7 1.5 8.3 6.2 27 85 D G E S-A 82 0A 0 55,-2.4 55,-2.4 -2,-0.5 2,-0.4 -0.855 98.8 -32.5 145.3-169.4 3.9 7.1 8.9 28 86 D F E -A 81 0A 0 -2,-0.3 86,-3.2 53,-0.2 2,-0.3 -0.651 60.4-116.8 -87.9 127.8 7.3 7.5 10.3 29 87 D L B > -b 114 0B 0 51,-2.2 3,-2.0 -2,-0.4 4,-0.2 -0.460 14.6-144.7 -67.2 125.3 10.1 8.4 7.9 30 88 D c G > >S+ 0 0 0 84,-2.3 5,-1.9 -2,-0.3 3,-1.8 0.785 96.4 67.8 -59.6 -29.9 12.7 5.6 7.8 31 89 D S G 3 5S+ 0 0 17 1,-0.3 -1,-0.3 83,-0.3 3,-0.3 0.658 102.7 47.1 -67.3 -12.6 15.5 8.1 7.4 32 90 D d G < 5S+ 0 0 16 -3,-2.0 -1,-0.3 47,-0.2 -2,-0.2 0.367 104.3 64.6 -97.0 -0.7 14.8 9.2 10.9 33 91 D e T < 5S- 0 0 0 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.1 0.090 128.5 -79.5-115.8 18.0 14.7 5.6 12.2 34 92 D G T 5S+ 0 0 11 1,-0.4 225,-0.2 257,-0.3 -3,-0.2 0.470 109.0 86.8 94.2 3.6 18.3 4.5 11.6 35 93 D G S -E 39 0C 44 3,-2.2 3,-0.8 -2,-0.1 -4,-0.1 -0.783 42.7 -83.4-128.5-176.3 17.9 6.1 4.9 37 95 D T T 3 S+ 0 0 2 -2,-0.3 79,-0.4 1,-0.2 -7,-0.1 0.837 131.0 24.8 -56.7 -32.9 15.3 7.1 2.3 38 96 D T T 3 S+ 0 0 22 77,-0.1 215,-1.8 1,-0.1 2,-0.4 0.190 114.3 70.1-120.7 12.4 16.1 3.8 0.4 39 97 D T B < S-Ef 36 253C 26 -3,-0.8 -3,-2.2 213,-0.2 215,-0.2 -0.992 76.2-127.4-133.1 129.1 17.4 1.5 3.1 40 98 D f - 0 0 1 213,-2.9 216,-0.3 -2,-0.4 3,-0.1 -0.404 38.0 -95.9 -65.7 145.7 15.4 0.0 5.9 41 99 D P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 214,-0.2 -0.282 65.2 -72.2 -53.6 149.4 16.6 0.5 9.4 42 100 D P T 3 S+ 0 0 4 0, 0.0 252,-0.4 0, 0.0 215,-0.1 -0.190 121.0 15.3 -50.7 132.9 18.6 -2.6 10.4 43 101 D G T 3 S+ 0 0 22 213,-0.3 2,-0.3 1,-0.3 298,-0.1 0.537 99.8 108.8 80.8 7.8 16.4 -5.6 11.1 44 102 D S < - 0 0 3 -3,-2.0 211,-0.4 296,-0.1 -1,-0.3 -0.902 60.9-135.9-113.5 150.7 13.3 -4.3 9.3 45 103 D T E -C 72 0B 78 27,-2.5 27,-2.3 -2,-0.3 29,-0.1 -0.853 16.0-114.7-113.2 133.8 12.2 -5.7 6.0 46 104 D P E -C 71 0B 32 0, 0.0 25,-0.2 0, 0.0 208,-0.1 -0.335 30.3-116.1 -63.1 145.9 11.0 -3.8 2.9 47 105 D S - 0 0 3 23,-2.4 205,-0.1 1,-0.1 56,-0.1 -0.647 11.2-146.9 -77.0 138.3 7.5 -4.3 1.8 48 106 D P S S+ 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.556 86.2 43.1 -77.6 -11.3 7.1 -5.9 -1.7 49 107 D I + 0 0 34 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.842 68.8 162.8-129.5 162.8 4.0 -3.8 -2.3 50 108 D S - 0 0 10 -2,-0.3 2,-0.2 19,-0.1 19,-0.2 -0.981 41.4 -93.3-164.6 166.8 3.2 -0.2 -1.6 51 109 D X E -G 68 0D 7 17,-0.8 17,-2.7 -2,-0.3 2,-0.3 -0.540 47.5-161.2 -80.5 159.9 1.0 2.7 -2.4 52 110 D I E +G 67 0D 66 43,-2.5 2,-0.3 15,-0.2 15,-0.2 -0.851 21.5 142.9-135.7 171.0 2.3 4.9 -5.2 53 111 D G E -G 66 0D 13 13,-1.9 13,-3.5 -2,-0.3 2,-0.3 -0.954 42.3 -89.3 172.6-180.0 1.9 8.4 -6.6 54 112 D T E -G 65 0D 42 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.837 29.4-166.0-110.2 152.1 3.6 11.3 -8.2 55 113 D b E -G 64 0D 0 9,-2.2 9,-2.5 -2,-0.3 2,-0.4 -0.996 23.1-118.4-134.2 146.3 5.2 14.2 -6.5 56 114 D H E -G 63 0D 89 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.656 17.6-145.3 -85.0 128.8 6.4 17.5 -8.0 57 115 D N > - 0 0 0 5,-3.2 4,-1.7 -2,-0.4 5,-0.2 -0.856 8.9-165.6 -93.2 110.1 10.1 18.3 -7.7 58 116 D P T 4 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.559 82.2 59.2 -78.5 -4.4 10.3 22.1 -7.2 59 117 D H T 4 S+ 0 0 141 3,-0.1 -57,-0.0 -56,-0.1 -2,-0.0 0.938 122.2 18.3 -84.3 -53.1 14.0 22.2 -7.9 60 118 D D T 4 S- 0 0 53 2,-0.1 3,-0.1 -59,-0.0 -1,-0.1 0.489 99.3-126.2 -98.6 -3.3 14.0 20.7 -11.5 61 119 D G < + 0 0 45 -4,-1.7 2,-0.2 1,-0.2 -5,-0.0 0.492 67.5 124.6 74.9 5.9 10.3 21.4 -12.1 62 120 D K - 0 0 105 -5,-0.2 -5,-3.2 -6,-0.1 2,-0.4 -0.507 58.6-124.8-100.1 162.0 9.6 17.8 -13.1 63 121 D D E -G 56 0D 74 -7,-0.2 59,-2.7 -2,-0.2 2,-0.4 -0.895 27.7-161.7-108.5 138.1 7.0 15.2 -11.7 64 122 D Y E -GH 55 121D 13 -9,-2.5 -9,-2.2 -2,-0.4 2,-0.5 -0.931 20.0-121.4-127.9 147.0 8.2 11.9 -10.4 65 123 D L E -GH 54 120D 23 55,-3.0 54,-2.7 -2,-0.4 55,-1.1 -0.730 33.6-167.4 -84.7 129.5 6.7 8.5 -9.7 66 124 D I E -GH 53 118D 0 -13,-3.5 -13,-1.9 -2,-0.5 2,-0.5 -0.892 16.1-152.8-122.2 143.2 7.2 7.5 -6.1 67 125 D S E -GH 52 117D 20 50,-2.5 50,-2.9 -2,-0.3 2,-1.5 -0.987 12.0-150.8-117.0 118.3 6.7 4.1 -4.4 68 126 D Y E +G 51 0D 0 -17,-2.7 -17,-0.8 -2,-0.5 48,-0.2 -0.586 26.8 176.5 -92.7 71.6 5.8 4.5 -0.8 69 127 D H - 0 0 37 -2,-1.5 46,-2.5 -19,-0.2 2,-0.3 -0.410 17.2-142.0 -72.7 150.5 7.3 1.3 0.6 70 128 D D E - D 0 114B 0 -21,-0.5 -23,-2.4 44,-0.2 2,-0.4 -0.684 8.0-130.7-100.6 164.2 7.3 0.4 4.2 71 129 D f E -CD 46 113B 0 42,-2.9 41,-2.1 -2,-0.3 42,-1.6 -0.962 38.4-173.3-111.4 142.0 9.8 -1.3 6.4 72 130 D g E +CD 45 111B 0 -27,-2.3 -27,-2.5 -2,-0.4 39,-0.2 -0.747 44.1 60.6-136.1 164.7 8.2 -4.0 8.4 73 131 D G S S+ 0 0 15 37,-2.4 2,-0.3 1,-0.3 38,-0.1 0.632 87.2 81.5 87.6 11.2 8.8 -6.6 11.2 74 132 D K S S- 0 0 2 36,-0.7 -1,-0.3 -3,-0.1 3,-0.2 -0.971 85.2 -96.0-139.4 153.4 9.7 -4.2 14.0 75 133 D T - 0 0 4 -2,-0.3 560,-0.1 1,-0.2 559,-0.0 -0.134 66.7 -53.9 -69.2 165.9 7.5 -2.1 16.2 76 134 D A - 0 0 3 1,-0.1 36,-0.2 557,-0.1 -1,-0.2 -0.059 39.9-149.6 -50.0 127.5 6.7 1.5 15.5 77 135 D e - 0 0 0 35,-2.3 -1,-0.1 -3,-0.2 36,-0.1 0.886 19.6-157.6 -63.2 -42.3 9.8 3.7 15.1 78 136 D G + 0 0 17 34,-0.3 2,-0.4 1,-0.2 3,-0.3 0.440 49.3 111.4 84.5 -1.1 7.9 6.7 16.5 79 137 D R S S+ 0 0 43 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.836 74.1 4.9-113.3 144.4 10.1 9.4 14.9 80 138 D d S S- 0 0 47 -2,-0.4 -51,-2.2 -52,-0.2 2,-0.4 0.935 74.1-165.0 54.6 56.4 9.3 11.9 12.1 81 139 D Q E -A 28 0A 96 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.612 8.5-175.6 -72.5 128.3 5.6 11.1 11.7 82 140 D a E -A 27 0A 3 -55,-2.4 -55,-2.4 -2,-0.4 -66,-0.0 -0.867 22.0-176.5-121.4 156.8 4.1 12.5 8.5 83 141 D N E +A 26 0A 70 -2,-0.3 -57,-0.2 -57,-0.2 2,-0.2 -0.256 24.2 158.5-147.5 54.5 0.6 12.5 7.1 84 142 D T - 0 0 34 -59,-2.0 803,-0.1 -62,-0.2 804,-0.1 -0.519 18.1-174.0 -88.2 150.1 0.8 14.1 3.7 85 143 D Q > + 0 0 7 802,-0.3 3,-1.7 -2,-0.2 802,-0.3 0.079 16.9 157.2-138.8 22.3 -2.0 13.4 1.2 86 144 D T T 3 S- 0 0 44 -63,-2.5 3,-0.1 1,-0.3 -32,-0.1 -0.393 86.4 -13.0 -63.4 120.1 -1.1 14.9 -2.2 87 145 D R T 3 S+ 0 0 91 -2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.485 96.8 151.8 65.0 11.1 -3.2 13.0 -4.8 88 146 D E < - 0 0 2 -3,-1.7 -1,-0.2 9,-0.0 9,-0.2 -0.420 23.8-168.8 -71.2 141.8 -4.0 10.3 -2.2 89 147 D R - 0 0 19 7,-1.4 9,-0.2 4,-0.3 723,-0.1 -0.862 23.4 -88.9-133.6 159.9 -7.3 8.5 -2.8 90 148 D P > - 0 0 12 0, 0.0 3,-2.4 0, 0.0 6,-0.3 -0.002 52.4 -85.2 -68.1 178.8 -9.5 6.1 -0.9 91 149 D G G > S+ 0 0 2 1,-0.3 3,-0.6 5,-0.1 688,-0.1 0.604 119.2 73.8 -67.0 -13.5 -9.4 2.4 -0.9 92 150 D Y G 3 S+ 0 0 8 1,-0.3 -1,-0.3 670,-0.1 2,-0.2 0.547 104.2 42.9 -74.8 -7.8 -11.5 2.0 -4.1 93 151 D E G X S+ 0 0 66 -3,-2.4 3,-2.3 1,-0.1 -1,-0.3 -0.692 91.4 179.7-121.8 72.6 -8.3 3.2 -5.9 94 152 D F G X + 0 0 18 -3,-0.6 3,-1.7 1,-0.3 -1,-0.1 0.769 65.8 53.8 -59.2 -38.9 -6.3 1.0 -3.6 95 153 D F G 3 S+ 0 0 96 1,-0.3 -43,-2.5 -44,-0.1 -1,-0.3 0.546 108.2 51.7 -81.1 -0.6 -2.7 1.6 -4.8 96 154 D L G < S+ 0 0 46 -3,-2.3 -7,-1.4 -6,-0.3 2,-0.4 0.266 91.9 103.8-100.8 6.4 -3.1 5.4 -4.3 97 155 D H < - 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