==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JUL-05 2AGW . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR L.MASGRAU,A.ROUJEINIKOVA,L.O.JOHANNISSEN,P.HOTHI,J.BASRAN, . 949 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 62.3 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 . 348 36.7 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 . 69 7.3 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 . 14 1.5 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 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 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 71 D E > 0 0 180 0, 0.0 3,-1.5 0, 0.0 6,-0.3 0.000 360.0 360.0 360.0 -37.2 15.9 18.5 4.9 2 72 D V T 3 + 0 0 49 1,-0.3 17,-0.2 4,-0.1 18,-0.1 0.713 360.0 59.0 -69.4 -19.3 15.2 14.8 4.2 3 73 D N T 3 S+ 0 0 82 16,-0.1 2,-0.4 15,-0.1 -1,-0.3 0.366 90.0 93.8 -87.7 4.6 14.1 14.4 7.8 4 74 D S S X S- 0 0 50 -3,-1.5 3,-1.8 1,-0.1 6,-0.2 -0.804 77.2-134.4 -99.7 140.0 11.4 17.0 7.4 5 75 D a T 3 S+ 0 0 41 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.724 104.8 61.9 -60.0 -24.5 7.9 16.1 6.5 6 76 D D T 3 + 0 0 145 -5,-0.1 -1,-0.3 3,-0.1 -4,-0.1 0.482 69.4 123.4 -85.0 -2.5 7.9 18.9 3.9 7 77 D Y S X S- 0 0 31 -3,-1.8 3,-2.4 -6,-0.3 -5,-0.1 -0.365 73.4-120.5 -57.5 133.9 10.7 17.4 1.8 8 78 D W G > S+ 0 0 29 1,-0.3 3,-1.0 2,-0.1 36,-0.1 0.791 107.3 58.2 -55.7 -35.0 9.3 17.1 -1.6 9 79 D R G 3 S+ 0 0 56 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.635 96.2 65.3 -69.2 -13.9 9.6 13.3 -1.9 10 80 D H G X + 0 0 3 -3,-2.4 3,-1.7 1,-0.2 -1,-0.3 0.073 61.9 125.3 -95.9 24.9 7.6 12.7 1.2 11 81 D b T < S+ 0 0 13 -3,-1.0 63,-2.2 1,-0.3 -1,-0.2 0.601 82.5 29.1 -67.1 -17.0 4.3 14.1 -0.3 12 82 D A T 3 S+ 0 0 3 -3,-0.3 2,-0.5 61,-0.2 -1,-0.3 -0.034 86.6 134.9-131.2 31.0 2.2 11.0 0.4 13 83 D V < + 0 0 0 -3,-1.7 59,-2.7 -8,-0.2 2,-0.4 -0.699 24.9 176.0 -76.4 126.3 4.0 9.6 3.6 14 84 D D E +A 71 0A 25 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.901 59.3 36.9-125.5 97.3 1.7 8.5 6.4 15 85 D G E S-A 70 0A 0 55,-2.2 55,-3.0 -2,-0.4 2,-0.4 -0.977 100.1 -38.6 156.0-167.7 4.2 7.1 8.9 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.4 53,-0.2 2,-0.4 -0.799 58.3-115.7 -94.9 133.0 7.7 7.6 10.5 17 87 D L B > -b 102 0B 1 51,-2.0 3,-2.0 -2,-0.4 4,-0.2 -0.537 16.4-145.7 -70.7 121.9 10.5 8.6 8.1 18 88 D c G > >S+ 0 0 1 84,-2.2 5,-2.1 -2,-0.4 3,-1.9 0.782 95.5 69.9 -58.8 -26.4 13.1 5.8 8.0 19 89 D S G 3 5S+ 0 0 18 83,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.703 101.1 46.5 -65.5 -17.3 15.8 8.4 7.7 20 90 D d G < 5S+ 0 0 18 -3,-2.0 -1,-0.3 47,-0.2 -2,-0.2 0.368 106.9 62.4 -95.1 1.6 15.1 9.4 11.3 21 91 D e T < 5S- 0 0 0 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.1 0.099 128.3 -80.4-120.8 17.2 15.1 5.7 12.4 22 92 D G T 5S+ 0 0 12 1,-0.3 219,-0.2 -3,-0.3 -3,-0.2 0.501 108.6 84.0 91.8 3.0 18.6 4.5 11.6 23 93 D G S -E 27 0C 64 3,-2.1 3,-1.1 -2,-0.1 -6,-0.1 -0.802 41.2 -83.1-132.9-178.1 17.9 6.4 4.9 25 95 D T T 3 S+ 0 0 26 -2,-0.3 79,-2.0 1,-0.2 -7,-0.1 0.793 131.4 24.5 -57.0 -24.7 15.4 7.7 2.5 26 96 D T T 3 S+ 0 0 34 77,-0.2 209,-1.1 79,-0.1 2,-0.4 0.047 114.6 66.8-130.7 19.5 15.8 4.4 0.5 27 97 D T B < S-Ef 24 235C 26 -3,-1.1 -3,-2.1 207,-0.2 209,-0.2 -0.992 75.0-120.5-144.5 141.6 17.1 1.8 3.0 28 98 D f - 0 0 2 207,-2.3 210,-0.3 -2,-0.4 3,-0.1 -0.463 37.7-100.5 -76.0 147.2 15.4 0.2 5.9 29 99 D P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 208,-0.2 -0.263 62.5 -69.8 -57.7 153.7 16.9 0.5 9.4 30 100 D P T 3 S+ 0 0 5 0, 0.0 246,-0.4 0, 0.0 209,-0.1 -0.168 121.5 15.7 -50.3 132.0 19.0 -2.5 10.5 31 101 D G T 3 S+ 0 0 21 207,-0.3 2,-0.4 1,-0.3 292,-0.1 0.557 100.3 107.7 81.2 9.2 16.8 -5.6 11.1 32 102 D S < - 0 0 3 -3,-1.9 205,-0.4 -4,-0.1 -1,-0.3 -0.948 60.9-137.6-116.6 145.8 13.7 -4.3 9.4 33 103 D T E -C 60 0B 81 27,-2.5 27,-2.6 -2,-0.4 29,-0.1 -0.848 15.8-117.0-108.2 134.6 12.5 -5.7 6.1 34 104 D P E -C 59 0B 32 0, 0.0 25,-0.2 0, 0.0 202,-0.1 -0.304 28.8-117.2 -66.5 142.3 11.2 -3.8 3.0 35 105 D S - 0 0 2 23,-2.4 56,-0.1 1,-0.1 199,-0.1 -0.669 12.3-146.0 -73.6 137.0 7.7 -4.4 1.9 36 106 D P S S+ 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.767 85.9 51.2 -70.9 -25.1 7.6 -5.8 -1.6 37 107 D I + 0 0 39 53,-0.4 21,-0.4 21,-0.0 2,-0.3 -0.647 69.9 164.8-110.3 161.6 4.4 -3.9 -2.3 38 108 D S - 0 0 13 -2,-0.2 2,-0.3 19,-0.1 19,-0.2 -0.990 37.7-104.3-163.4 162.5 3.6 -0.2 -1.7 39 109 D X E -G 56 0D 4 17,-1.0 17,-2.9 -2,-0.3 2,-0.4 -0.663 39.1-137.4 -88.3 160.1 1.4 2.7 -2.3 40 110 D I E -G 55 0D 47 43,-2.5 2,-0.3 -2,-0.3 15,-0.2 -0.946 14.5-164.4-120.3 140.8 2.7 5.3 -4.9 41 111 D G E -G 54 0D 5 13,-2.9 13,-3.0 -2,-0.4 2,-0.6 -0.875 16.5-139.0-117.8 155.1 2.6 9.1 -4.7 42 112 D T E -G 53 0D 40 32,-0.4 2,-0.3 -2,-0.3 11,-0.2 -0.974 31.3-174.3-111.7 114.0 3.1 11.7 -7.5 43 113 D b E -G 52 0D 0 9,-2.7 9,-3.1 -2,-0.6 2,-0.6 -0.880 24.6-120.9-117.0 147.0 5.2 14.5 -6.0 44 114 D H E -G 51 0D 104 -2,-0.3 7,-0.2 7,-0.2 -33,-0.0 -0.713 20.3-139.3 -89.6 121.4 6.2 17.8 -7.5 45 115 D N > - 0 0 17 5,-3.1 4,-1.6 -2,-0.6 5,-0.2 -0.692 7.5-155.2 -78.8 119.3 9.9 18.4 -7.7 46 116 D P T 4 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.524 88.0 54.4 -76.1 -7.4 10.5 22.0 -6.7 47 117 D H T 4 S+ 0 0 149 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.891 123.1 18.6 -91.1 -52.6 13.8 22.2 -8.7 48 118 D D T 4 S- 0 0 66 2,-0.2 3,-0.1 0, 0.0 -1,-0.0 0.460 96.9-125.4 -99.7 -5.5 12.8 21.1 -12.2 49 119 D G < + 0 0 44 -4,-1.6 2,-0.3 1,-0.2 -5,-0.0 0.582 68.4 124.3 75.7 12.1 9.0 21.7 -11.8 50 120 D K - 0 0 116 -5,-0.2 -5,-3.1 -6,-0.0 2,-0.4 -0.717 61.7-117.6-108.4 153.1 8.1 18.2 -12.9 51 121 D D E -G 44 0D 60 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.713 30.1-166.0 -89.1 136.3 6.1 15.5 -11.1 52 122 D Y E -G 43 0D 38 -9,-3.1 -9,-2.7 -2,-0.4 2,-0.5 -0.939 22.9-117.0-122.7 149.1 7.7 12.2 -10.1 53 123 D L E -GH 42 108D 64 55,-3.4 54,-3.1 -2,-0.4 55,-1.2 -0.737 29.9-168.3 -82.5 126.0 6.5 8.8 -9.0 54 124 D I E -GH 41 106D 0 -13,-3.0 -13,-2.9 -2,-0.5 2,-0.6 -0.979 11.3-146.8-118.6 123.4 7.6 8.0 -5.4 55 125 D S E -GH 40 105D 5 50,-3.2 50,-2.8 -2,-0.5 2,-1.1 -0.833 8.1-151.0 -95.7 121.8 7.1 4.4 -4.1 56 126 D Y E +G 39 0D 0 -17,-2.9 -17,-1.0 -2,-0.6 2,-0.4 -0.739 20.0 178.3 -98.6 87.7 6.3 4.3 -0.4 57 127 D H - 0 0 31 -2,-1.1 46,-3.0 -19,-0.2 2,-0.2 -0.736 19.5-139.5 -87.2 129.9 7.6 1.0 0.8 58 128 D D E - D 0 102B 0 -2,-0.4 -23,-2.4 -21,-0.4 2,-0.5 -0.490 10.1-128.4 -80.2 159.3 7.3 0.3 4.5 59 129 D f E -CD 34 101B 0 42,-3.0 41,-2.7 -25,-0.2 42,-1.2 -0.956 37.3-165.0-110.3 134.2 10.0 -1.3 6.6 60 130 D g E +CD 33 99B 0 -27,-2.6 -27,-2.5 -2,-0.5 39,-0.2 -0.710 47.2 51.7-127.8 161.1 8.6 -4.2 8.6 61 131 D G S S+ 0 0 16 37,-2.3 2,-0.3 1,-0.3 38,-0.1 0.614 89.1 80.5 87.8 10.9 9.2 -6.6 11.4 62 132 D K S S- 0 0 1 36,-0.6 -1,-0.3 -3,-0.2 3,-0.2 -0.973 84.0 -97.6-138.0 155.0 10.1 -4.2 14.2 63 133 D T - 0 0 4 -2,-0.3 555,-0.1 1,-0.2 554,-0.0 -0.134 65.4 -54.4 -69.6 166.2 7.8 -2.1 16.4 64 134 D A - 0 0 4 1,-0.1 36,-0.2 552,-0.1 -1,-0.2 -0.048 39.8-147.4 -52.0 128.8 7.0 1.6 15.7 65 135 D e - 0 0 0 35,-2.2 -1,-0.1 -3,-0.2 36,-0.1 0.900 18.8-157.0 -63.2 -43.0 10.0 3.8 15.3 66 136 D G + 0 0 17 34,-0.3 2,-0.3 1,-0.2 3,-0.2 0.456 51.3 110.1 85.4 1.2 8.2 6.8 16.8 67 137 D R S S+ 0 0 46 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.860 76.4 4.6-115.1 143.1 10.5 9.5 15.2 68 138 D d S S- 0 0 47 -2,-0.3 -51,-2.0 -52,-0.2 2,-0.4 0.922 74.7-165.9 53.9 53.6 9.6 12.0 12.4 69 139 D Q E -A 16 0A 95 -3,-0.2 2,-0.3 -53,-0.2 -53,-0.2 -0.605 9.2-175.6 -69.3 128.8 5.9 11.1 12.1 70 140 D a E -A 15 0A 2 -55,-3.0 -55,-2.2 -2,-0.4 2,-0.2 -0.935 22.2-174.8-127.6 150.3 4.5 12.6 8.9 71 141 D N E +A 14 0A 77 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.2 -0.761 23.6 155.6-144.8 86.8 1.0 12.7 7.4 72 142 D T - 0 0 37 -59,-2.7 799,-0.1 -2,-0.2 798,-0.1 -0.922 19.6-173.0-118.5 149.0 1.0 14.2 3.9 73 143 D Q > + 0 0 6 797,-0.4 3,-1.7 -2,-0.3 797,-0.3 0.062 17.2 158.0-138.3 24.3 -1.7 13.4 1.4 74 144 D T T 3 S- 0 0 46 -63,-2.2 -32,-0.4 1,-0.3 3,-0.1 -0.420 86.1 -12.1 -62.8 118.0 -0.8 15.0 -2.0 75 145 D R T 3 S+ 0 0 123 -2,-0.3 -1,-0.3 1,-0.2 2,-0.1 0.462 97.3 152.0 68.7 11.6 -2.8 13.0 -4.7 76 146 D E < - 0 0 2 -3,-1.7 -1,-0.2 -34,-0.0 9,-0.2 -0.411 23.5-168.9 -74.0 141.5 -3.7 10.3 -2.1 77 147 D R - 0 0 22 7,-1.7 9,-0.2 4,-0.2 7,-0.1 -0.865 23.4 -89.3-133.3 159.3 -7.0 8.5 -2.8 78 148 D P > - 0 0 10 0, 0.0 3,-2.5 0, 0.0 6,-0.3 -0.004 52.4 -85.0 -67.2 177.2 -9.2 6.1 -0.8 79 149 D G G > S+ 0 0 3 1,-0.3 3,-0.5 4,-0.1 6,-0.1 0.624 120.3 73.2 -66.0 -15.5 -9.0 2.3 -0.8 80 150 D Y G 3 S+ 0 0 9 1,-0.3 -1,-0.3 665,-0.1 2,-0.2 0.556 104.1 44.0 -70.6 -9.5 -11.1 1.9 -4.0 81 151 D E G X S+ 0 0 43 -3,-2.5 3,-2.3 1,-0.1 -1,-0.3 -0.688 90.3 178.7-119.6 72.9 -7.9 3.2 -5.6 82 152 D F G X + 0 0 19 -3,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.789 66.6 51.8 -61.0 -39.5 -5.8 0.9 -3.5 83 153 D F G 3 S+ 0 0 99 1,-0.3 -43,-2.5 -44,-0.1 -1,-0.3 0.398 109.7 51.6 -84.0 8.0 -2.3 1.6 -4.6 84 154 D L G < S+ 0 0 63 -3,-2.3 -7,-1.7 -6,-0.3 2,-0.4 0.215 92.5 102.8-109.9 6.3 -2.7 5.3 -4.2 85 155 D H < + 0 0 3 -3,-1.6 3,-0.3 -9,-0.2 -9,-0.0 -0.809 42.6 178.8-103.7 129.9 -4.0 4.8 -0.6 86 156 D N + 0 0 1 -2,-0.4 4,-0.1 -9,-0.2 -1,-0.1 0.312 63.1 86.6-115.5 13.1 -1.9 5.5 2.5 87 157 D D S S+ 0 0 6 2,-0.1 611,-2.2 610,-0.1 2,-0.3 0.217 83.0 75.2 -93.6 12.3 -4.3 4.7 5.4 88 158 D V B S-I 697 0E 8 -3,-0.3 2,-0.8 609,-0.2 609,-0.3 -0.822 93.0-100.9-118.1 160.8 -3.3 1.0 5.3 89 159 D N > - 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