==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JUN-06 2HJB . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,D.LEYS . 948 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 600 63.3 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 . 354 37.3 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 . 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 . 25 2.6 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 . 8 5 6 7 20 8 4 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 71 D E > 0 0 164 0, 0.0 3,-1.6 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -37.9 22.8 -2.6 43.2 2 72 D V T 3 + 0 0 46 1,-0.3 17,-0.2 4,-0.1 5,-0.1 0.683 360.0 63.5 -68.5 -17.0 21.7 1.0 42.9 3 73 D N T 3 S+ 0 0 85 16,-0.1 2,-0.4 15,-0.1 -1,-0.3 0.443 86.2 95.2 -83.0 -2.3 25.1 1.8 41.3 4 74 D S S X S- 0 0 51 -3,-1.6 3,-1.4 1,-0.1 6,-0.2 -0.735 75.0-139.8 -90.1 140.1 24.2 -0.4 38.4 5 75 D a T 3 S+ 0 0 40 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.740 104.9 64.0 -65.0 -26.0 22.6 1.0 35.2 6 76 D D T 3 S+ 0 0 150 -5,-0.1 -1,-0.3 3,-0.0 -4,-0.1 0.484 71.7 122.5 -74.8 -7.3 20.4 -2.2 35.3 7 77 D Y S X S- 0 0 29 -3,-1.4 3,-1.8 -6,-0.2 -5,-0.1 -0.395 72.7-123.8 -57.4 135.6 18.8 -1.1 38.6 8 78 D W G > S+ 0 0 22 1,-0.3 3,-0.9 2,-0.1 -1,-0.1 0.793 106.3 56.4 -63.3 -32.0 15.1 -0.9 37.8 9 79 D R G 3 S+ 0 0 54 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.738 98.0 65.1 -69.8 -19.4 14.6 2.7 38.8 10 80 D H G X + 0 0 2 -3,-1.8 3,-1.4 1,-0.2 -1,-0.3 0.028 63.2 123.2 -91.0 27.0 17.3 3.9 36.4 11 81 D b T < S+ 0 0 13 -3,-0.9 63,-2.0 1,-0.3 -1,-0.2 0.642 82.0 29.5 -72.2 -16.9 15.3 2.8 33.3 12 82 D A T 3 S+ 0 0 2 -3,-0.4 2,-0.5 61,-0.2 -1,-0.3 -0.071 86.5 132.7-128.8 34.6 15.3 6.2 31.6 13 83 D V < + 0 0 0 -3,-1.4 59,-2.1 -8,-0.2 2,-0.5 -0.765 26.5 176.8 -86.5 126.2 18.6 7.7 32.9 14 84 D D E +A 71 0A 16 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.878 61.2 38.9-122.3 92.9 20.9 9.3 30.4 15 85 D G E S-A 70 0A 0 55,-2.3 55,-3.4 -2,-0.5 2,-0.4 -0.987 98.9 -40.9 164.7-161.3 23.7 10.6 32.6 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.3 53,-0.3 2,-0.4 -0.873 54.8-118.1-101.3 132.0 25.8 9.8 35.6 17 87 D L B > -b 102 0B 2 51,-2.0 3,-2.0 -2,-0.4 4,-0.2 -0.536 14.2-145.3 -69.7 124.4 24.2 8.2 38.7 18 88 D c G > >S+ 0 0 1 84,-2.3 5,-2.5 -2,-0.4 3,-2.0 0.777 96.1 71.7 -60.4 -26.0 24.6 10.6 41.7 19 89 D S G 3 5S+ 0 0 15 83,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.662 101.4 44.7 -64.4 -19.5 25.0 7.5 43.9 20 90 D d G < 5S+ 0 0 16 -3,-2.0 -1,-0.3 47,-0.2 -2,-0.2 0.369 107.9 61.7 -95.3 -1.3 28.4 7.1 42.3 21 91 D e T < 5S- 0 0 0 -3,-2.0 -2,-0.2 -4,-0.2 -1,-0.1 0.104 128.3 -81.4-118.1 16.7 29.2 10.8 42.6 22 92 D G T 5S+ 0 0 14 1,-0.4 222,-0.2 254,-0.2 -3,-0.2 0.503 109.2 83.2 91.0 3.9 29.1 11.3 46.4 23 93 D G S -E 27 0C 64 3,-1.7 3,-1.3 -2,-0.1 -6,-0.1 -0.863 41.5 -80.8-138.1 174.9 22.6 8.9 46.7 25 95 D T T 3 S+ 0 0 33 -2,-0.3 79,-3.1 1,-0.3 -7,-0.1 0.749 132.7 25.4 -48.2 -28.3 19.8 7.8 44.4 26 96 D T T 3 S+ 0 0 31 77,-0.2 212,-1.1 79,-0.1 2,-0.3 0.243 114.3 68.2-125.9 9.0 17.7 10.6 45.9 27 97 D T B < S-Ef 24 238C 24 -3,-1.3 -3,-1.7 210,-0.2 212,-0.2 -0.985 73.6-120.8-132.9 145.2 20.3 13.3 47.1 28 98 D f - 0 0 1 210,-2.1 213,-0.3 -2,-0.3 3,-0.1 -0.529 36.5-104.1 -77.5 143.0 22.7 15.6 45.3 29 99 D P > - 0 0 2 0, 0.0 3,-1.7 0, 0.0 211,-0.2 -0.288 61.0 -69.8 -55.7 158.7 26.4 15.3 45.9 30 100 D P T 3 S+ 0 0 3 0, 0.0 249,-0.4 0, 0.0 212,-0.1 -0.245 121.6 14.3 -49.9 131.0 27.7 18.2 48.2 31 101 D G T 3 S+ 0 0 22 210,-0.3 2,-0.4 1,-0.3 295,-0.1 0.577 98.3 112.8 80.6 9.3 27.6 21.6 46.3 32 102 D S < - 0 0 5 -3,-1.7 208,-0.4 -4,-0.1 -1,-0.3 -0.925 61.3-135.3-113.7 142.6 25.5 20.4 43.5 33 103 D T E -C 60 0B 78 27,-3.0 27,-3.4 -2,-0.4 29,-0.1 -0.828 15.8-118.9-106.1 130.6 22.0 21.9 43.2 34 104 D P E -C 59 0B 39 0, 0.0 25,-0.2 0, 0.0 205,-0.1 -0.407 27.2-120.4 -63.8 140.4 18.8 19.9 42.4 35 105 D S - 0 0 3 23,-2.7 56,-0.1 1,-0.1 55,-0.0 -0.680 9.4-146.3 -76.7 137.8 16.9 20.8 39.3 36 106 D P S S+ 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.759 84.8 46.2 -74.0 -23.7 13.3 21.9 40.0 37 107 D I + 0 0 37 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.639 67.3 160.4-112.9 170.2 12.2 20.3 36.7 38 108 D S - 0 0 9 -2,-0.2 2,-0.3 19,-0.1 19,-0.2 -0.969 40.0 -99.0-174.1 162.4 12.9 16.9 35.1 39 109 D X E -G 56 0D 5 17,-0.5 17,-2.2 -2,-0.3 2,-0.4 -0.653 42.8-132.5 -87.3 159.7 11.9 14.3 32.6 40 110 D I E -G 55 0D 59 43,-3.0 2,-0.3 -2,-0.3 15,-0.2 -0.907 13.9-155.3-122.0 143.1 10.0 11.3 34.0 41 111 D G E -G 54 0D 2 13,-3.1 13,-3.1 -2,-0.4 2,-0.6 -0.845 10.9-145.2-114.4 150.5 10.4 7.6 33.5 42 112 D T E +G 53 0D 15 32,-0.5 2,-0.4 -2,-0.3 11,-0.2 -0.945 31.2 178.8-114.6 106.5 8.0 4.7 33.8 43 113 D b E -G 52 0D 0 9,-2.6 9,-3.1 -2,-0.6 2,-0.4 -0.894 27.7-123.1-118.9 140.0 10.0 1.8 35.1 44 114 D H E -G 51 0D 95 -2,-0.4 7,-0.3 7,-0.3 3,-0.0 -0.644 18.1-141.1 -81.9 124.5 8.9 -1.8 36.0 45 115 D N E >> -G 50 0D 17 5,-4.4 4,-1.3 -2,-0.4 5,-0.6 -0.768 9.0-161.6 -82.7 114.4 9.6 -2.9 39.5 46 116 D P T 45S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.724 83.6 58.7 -72.9 -17.7 10.7 -6.6 39.2 47 117 D H T 45S+ 0 0 139 1,-0.2 -2,-0.0 3,-0.1 -3,-0.0 0.940 121.4 19.8 -75.9 -50.4 10.0 -7.3 42.9 48 118 D D T 45S- 0 0 62 2,-0.2 -1,-0.2 -3,-0.0 3,-0.1 0.400 101.9-121.9-101.2 -1.0 6.3 -6.4 43.1 49 119 D G T <5S+ 0 0 44 -4,-1.3 2,-0.3 1,-0.2 -5,-0.0 0.671 70.4 124.4 70.0 19.9 5.6 -6.7 39.4 50 120 D K E < -G 45 0D 106 -5,-0.6 -5,-4.4 -7,-0.0 2,-0.5 -0.748 59.7-122.8-115.9 159.7 4.4 -3.1 39.1 51 121 D D E -G 44 0D 55 -7,-0.3 59,-3.5 -2,-0.3 2,-0.3 -0.866 29.2-167.4-105.8 129.1 5.3 -0.0 37.1 52 122 D Y E -GH 43 109D 33 -9,-3.1 -9,-2.6 -2,-0.5 2,-0.5 -0.873 24.4-119.1-120.2 145.2 6.3 3.2 38.8 53 123 D L E -GH 42 108D 57 55,-2.4 54,-3.0 -2,-0.3 55,-1.2 -0.734 32.0-165.6 -78.0 125.2 6.8 6.8 37.8 54 124 D I E -GH 41 106D 0 -13,-3.1 -13,-3.1 -2,-0.5 2,-0.5 -0.961 10.5-144.6-116.2 128.1 10.4 7.8 38.5 55 125 D S E -GH 40 105D 10 50,-3.3 50,-2.4 -2,-0.4 2,-0.9 -0.819 5.8-153.6 -93.2 128.3 11.4 11.5 38.5 56 126 D Y E +G 39 0D 0 -17,-2.2 -17,-0.5 -2,-0.5 2,-0.4 -0.556 19.8 177.4-105.6 71.6 14.9 12.2 37.1 57 127 D H - 0 0 39 -2,-0.9 46,-2.5 -19,-0.2 2,-0.2 -0.572 19.8-141.6 -73.6 124.2 16.0 15.4 38.8 58 128 D D E - D 0 102B 0 -21,-0.5 -23,-2.7 -2,-0.4 2,-0.4 -0.511 6.3-129.2 -80.6 157.0 19.5 16.3 37.9 59 129 D f E -CD 34 101B 0 42,-3.2 41,-2.2 -25,-0.2 42,-1.2 -0.924 38.1-171.4-104.9 135.7 22.0 17.8 40.2 60 130 D g E +CD 33 99B 1 -27,-3.4 -27,-3.0 -2,-0.4 39,-0.2 -0.748 45.4 56.7-131.4 165.8 23.5 21.0 38.7 61 131 D G S S+ 0 0 14 37,-2.2 2,-0.3 1,-0.3 38,-0.1 0.579 88.6 84.4 83.2 10.8 26.2 23.7 39.0 62 132 D K S S- 0 0 2 36,-0.6 -1,-0.3 -3,-0.2 3,-0.2 -0.974 85.0-101.4-132.2 150.2 29.2 21.3 39.1 63 133 D T - 0 0 3 -2,-0.3 557,-0.1 1,-0.2 556,-0.0 -0.172 65.1 -52.7 -66.4 168.5 31.0 19.8 36.1 64 134 D A - 0 0 5 1,-0.1 36,-0.2 554,-0.1 -1,-0.2 -0.053 40.8-148.7 -53.3 128.3 30.4 16.3 34.9 65 135 D e - 0 0 0 35,-2.2 -1,-0.1 -3,-0.2 36,-0.1 0.895 19.2-157.7 -62.1 -42.1 30.8 13.6 37.6 66 136 D G + 0 0 17 34,-0.4 2,-0.4 1,-0.2 3,-0.3 0.492 49.2 114.5 78.7 5.5 32.0 11.1 35.0 67 137 D R S S+ 0 0 42 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.857 75.2 2.3-116.3 143.6 31.1 8.1 37.1 68 138 D d S S- 0 0 45 -2,-0.4 -51,-2.0 -52,-0.2 2,-0.4 0.935 75.0-164.6 49.5 59.8 28.5 5.4 36.4 69 139 D Q E -A 16 0A 92 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.3 -0.644 9.6-174.0 -73.6 126.4 27.4 6.8 33.1 70 140 D a E -A 15 0A 2 -55,-3.4 -55,-2.3 -2,-0.4 2,-0.3 -0.904 20.3-174.4-123.5 149.7 24.1 5.2 32.1 71 141 D N E +A 14 0A 81 -2,-0.3 2,-0.4 -57,-0.2 -57,-0.2 -0.841 22.0 155.7-145.2 95.6 22.0 5.4 28.9 72 142 D T - 0 0 36 -59,-2.1 801,-0.1 -2,-0.3 800,-0.1 -0.972 20.4-172.6-129.3 142.7 18.7 3.6 29.3 73 143 D Q > + 0 0 7 799,-0.4 3,-1.7 -2,-0.4 799,-0.3 0.055 19.8 156.4-133.6 21.7 15.7 4.5 27.2 74 144 D T T 3 S- 0 0 43 -63,-2.0 -32,-0.5 1,-0.3 3,-0.1 -0.367 85.3 -14.5 -57.6 117.4 12.7 2.5 28.5 75 145 D R T 3 S+ 0 0 120 -2,-0.2 -1,-0.3 1,-0.2 2,-0.2 0.556 97.6 150.0 62.0 14.8 9.5 4.4 27.5 76 146 D E < - 0 0 2 -3,-1.7 -1,-0.2 -65,-0.2 9,-0.2 -0.500 25.6-166.7 -79.3 144.4 11.6 7.5 26.6 77 147 D R - 0 0 19 7,-1.6 9,-0.2 4,-0.3 7,-0.1 -0.888 22.5 -89.3-135.2 157.2 10.1 9.6 23.8 78 148 D P > - 0 0 11 0, 0.0 3,-2.4 0, 0.0 6,-0.3 0.088 53.1 -82.2 -64.4-178.3 11.4 12.5 21.7 79 149 D G T 3 S+ 0 0 2 1,-0.3 3,-0.5 5,-0.1 6,-0.1 0.653 121.7 70.7 -63.3 -17.5 11.3 16.2 22.4 80 150 D Y T 3 S+ 0 0 11 1,-0.3 -1,-0.3 667,-0.1 2,-0.2 0.558 104.3 45.0 -77.2 -8.0 7.6 16.6 21.2 81 151 D E S X S+ 0 0 43 -3,-2.4 3,-2.0 1,-0.1 -1,-0.3 -0.718 89.7 177.4-120.4 74.7 6.8 14.6 24.4 82 152 D F G > + 0 0 19 -3,-0.5 3,-1.5 1,-0.3 6,-0.1 0.805 66.3 50.9 -65.8 -39.4 9.2 16.8 26.3 83 153 D F G 3 S+ 0 0 97 1,-0.3 -43,-3.0 -44,-0.1 -1,-0.3 0.369 110.8 51.2 -84.7 10.2 8.9 15.6 29.9 84 154 D L G < S+ 0 0 58 -3,-2.0 -7,-1.6 -6,-0.3 2,-0.4 0.269 93.3 99.7-111.6 5.1 9.5 12.0 28.7 85 155 D H < - 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