==== 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 03-AUG-06 2HXC . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,D.LEYS . 938 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 353 37.6 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 0.9 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 . 76 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 2.2 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 0 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 6 22 8 3 0 2 1 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 72 D V 0 0 86 0, 0.0 17,-0.2 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 -19.8 15.2 14.8 4.1 2 73 D N + 0 0 86 16,-0.1 2,-0.4 15,-0.1 14,-0.1 0.409 360.0 94.1 -85.6 4.0 14.0 14.3 7.7 3 74 D S S > S- 0 0 59 1,-0.1 3,-1.7 66,-0.0 6,-0.2 -0.777 77.0-135.0 -97.0 140.2 11.3 16.9 7.3 4 75 D a T 3 S+ 0 0 41 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.676 105.9 63.3 -61.6 -19.8 7.7 16.1 6.3 5 76 D D T 3 + 0 0 145 3,-0.0 -1,-0.3 66,-0.0 5,-0.1 0.508 69.8 121.6 -85.7 -7.7 7.9 19.0 3.8 6 77 D Y S X S- 0 0 70 -3,-1.7 3,-2.2 1,-0.1 0, 0.0 -0.379 74.9-119.5 -56.8 135.6 10.7 17.4 1.8 7 78 D W G > S+ 0 0 33 1,-0.3 3,-0.8 2,-0.1 -1,-0.1 0.782 107.7 55.8 -58.1 -34.3 9.3 17.1 -1.7 8 79 D R G 3 S+ 0 0 23 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.633 96.4 67.2 -70.5 -17.5 9.5 13.3 -2.1 9 80 D H G X + 0 0 2 -3,-2.2 3,-1.6 1,-0.2 62,-0.3 0.084 60.4 125.9 -92.7 27.6 7.4 12.7 1.1 10 81 D b T < S+ 0 0 14 -3,-0.8 63,-2.2 1,-0.3 -1,-0.2 0.653 81.3 28.9 -71.6 -13.8 4.2 14.1 -0.4 11 82 D A T 3 S+ 0 0 2 -3,-0.4 2,-0.5 61,-0.2 -1,-0.3 -0.013 84.3 138.1-132.1 31.8 2.1 11.1 0.4 12 83 D V < + 0 0 0 -3,-1.6 59,-2.4 -8,-0.2 2,-0.5 -0.693 23.3 176.4 -79.3 123.3 3.8 9.6 3.5 13 84 D D E +A 70 0A 17 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.950 62.3 37.2-117.3 97.5 1.5 8.4 6.3 14 85 D G E S-A 69 0A 0 55,-2.3 55,-3.0 -2,-0.5 2,-0.4 -0.989 100.9 -42.4 157.2-162.6 4.0 7.0 8.8 15 86 D F E -A 68 0A 0 -2,-0.3 86,-3.4 53,-0.3 2,-0.4 -0.887 56.7-114.2-104.0 132.6 7.5 7.5 10.2 16 87 D L B > -b 101 0B 1 51,-2.2 3,-2.1 -2,-0.4 4,-0.2 -0.496 17.4-146.0 -67.3 122.8 10.3 8.6 7.9 17 88 D c G > >S+ 0 0 1 84,-2.4 5,-2.1 -2,-0.4 3,-1.8 0.755 95.2 70.3 -60.9 -26.8 12.9 5.8 7.8 18 89 D S G 3 5S+ 0 0 20 83,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.681 100.4 47.5 -64.0 -16.1 15.7 8.3 7.5 19 90 D d G < 5S+ 0 0 17 -3,-2.1 -1,-0.3 47,-0.2 -2,-0.2 0.374 106.3 62.5 -95.9 0.5 15.0 9.3 11.1 20 91 D e T < 5S- 0 0 0 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.1 0.077 127.9 -81.1-120.0 18.2 14.9 5.6 12.2 21 92 D G T 5S+ 0 0 13 1,-0.3 210,-0.2 242,-0.3 -3,-0.2 0.500 109.3 84.0 90.3 2.0 18.5 4.4 11.4 22 93 D G S -E 26 0C 63 3,-2.1 3,-0.7 -2,-0.1 -6,-0.1 -0.794 40.9 -82.2-135.1-175.7 17.6 6.3 4.7 24 95 D T T 3 S+ 0 0 28 -2,-0.2 79,-2.0 1,-0.2 -7,-0.1 0.769 131.2 24.8 -60.8 -23.4 15.0 7.4 2.2 25 96 D T T 3 S+ 0 0 29 77,-0.2 200,-1.2 79,-0.1 2,-0.4 0.199 115.0 67.3-128.7 13.2 15.6 4.2 0.2 26 97 D T B < S-Ef 23 225C 24 -3,-0.7 -3,-2.1 198,-0.2 200,-0.2 -1.000 75.0-122.4-137.7 139.2 17.0 1.7 2.8 27 98 D f - 0 0 1 198,-2.4 201,-0.3 -2,-0.4 3,-0.1 -0.480 37.9-100.4 -73.2 143.7 15.3 0.1 5.7 28 99 D P > - 0 0 2 0, 0.0 3,-2.1 0, 0.0 199,-0.2 -0.273 62.3 -69.8 -53.0 154.2 16.8 0.5 9.1 29 100 D P T 3 S+ 0 0 4 0, 0.0 237,-0.4 0, 0.0 200,-0.1 -0.139 121.6 14.4 -50.9 131.1 18.8 -2.5 10.2 30 101 D G T 3 S+ 0 0 22 198,-0.3 2,-0.4 1,-0.3 283,-0.1 0.505 99.7 110.3 82.2 6.8 16.6 -5.6 10.9 31 102 D S < - 0 0 3 -3,-2.1 196,-0.4 281,-0.1 -1,-0.3 -0.896 61.7-133.7-114.2 145.2 13.5 -4.3 9.3 32 103 D T E -C 59 0B 77 27,-2.7 27,-2.2 -2,-0.4 29,-0.1 -0.833 15.2-119.0-106.7 131.7 12.3 -5.8 6.0 33 104 D P E -C 58 0B 33 0, 0.0 25,-0.2 0, 0.0 193,-0.1 -0.338 26.0-121.7 -63.8 142.2 11.1 -4.0 2.9 34 105 D S - 0 0 3 23,-2.3 190,-0.1 1,-0.1 56,-0.1 -0.693 8.0-145.9 -77.6 139.3 7.5 -4.4 1.7 35 106 D P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.618 86.0 51.1 -76.1 -12.8 7.3 -5.7 -1.9 36 107 D I + 0 0 34 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.754 68.0 164.2-122.3 164.8 4.2 -3.7 -2.4 37 108 D S - 0 0 11 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.983 38.3 -99.5-165.1 165.5 3.5 0.0 -1.7 38 109 D X E -G 55 0D 5 17,-1.1 17,-3.1 -2,-0.3 2,-0.4 -0.695 40.6-133.8 -92.8 159.0 1.3 2.9 -2.2 39 110 D I E -G 54 0D 47 43,-2.6 2,-0.3 -2,-0.3 15,-0.2 -0.921 16.8-166.7-119.0 138.0 2.4 5.4 -4.9 40 111 D G E -G 53 0D 1 13,-2.9 13,-2.7 -2,-0.4 2,-0.6 -0.900 17.6-142.1-118.2 150.7 2.5 9.2 -4.8 41 112 D T E -G 52 0D 20 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.962 33.2-178.0-107.5 112.8 2.9 11.8 -7.6 42 113 D b E -G 51 0D 1 9,-2.7 9,-2.7 -2,-0.6 2,-0.4 -0.910 25.3-126.3-119.6 142.8 5.1 14.5 -6.1 43 114 D H E -G 50 0D 102 -2,-0.4 7,-0.2 7,-0.2 -33,-0.0 -0.666 14.6-146.3 -88.2 127.3 6.3 17.8 -7.5 44 115 D N > - 0 0 19 5,-3.1 4,-1.8 -2,-0.4 5,-0.4 -0.851 7.5-163.3 -91.2 110.5 10.0 18.4 -7.4 45 116 D P T 4 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.586 82.5 61.9 -74.9 -7.8 10.4 22.2 -6.9 46 117 D H T 4 S+ 0 0 157 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.948 122.0 15.9 -81.3 -51.3 14.0 22.1 -8.0 47 118 D D T 4 S- 0 0 63 2,-0.2 3,-0.1 -3,-0.0 -1,-0.1 0.498 100.1-124.8 -99.5 -4.7 13.6 20.9 -11.6 48 119 D G < + 0 0 44 -4,-1.8 2,-0.2 1,-0.3 -5,-0.0 0.577 67.6 126.6 75.6 11.6 9.8 21.6 -11.8 49 120 D K - 0 0 106 -5,-0.4 -5,-3.1 -6,-0.0 2,-0.4 -0.677 58.2-124.3-104.6 152.9 8.9 18.0 -12.8 50 121 D D E -G 43 0D 66 -7,-0.2 59,-2.5 -2,-0.2 2,-0.4 -0.777 29.5-166.8 -94.2 139.2 6.5 15.5 -11.2 51 122 D Y E -GH 42 108D 33 -9,-2.7 -9,-2.7 -2,-0.4 2,-0.5 -0.952 23.5-120.1-127.8 147.4 7.8 12.1 -10.1 52 123 D L E -GH 41 107D 55 55,-2.9 54,-2.7 -2,-0.4 55,-1.2 -0.782 30.9-167.2 -81.8 124.9 6.3 8.8 -9.1 53 124 D I E -GH 40 105D 0 -13,-2.7 -13,-2.9 -2,-0.5 2,-0.6 -0.958 10.6-148.1-116.0 131.0 7.3 7.9 -5.6 54 125 D S E -GH 39 104D 9 50,-3.2 50,-2.7 -2,-0.4 2,-1.2 -0.906 7.4-151.9-103.4 120.0 6.8 4.4 -4.2 55 126 D Y E +G 38 0D 0 -17,-3.1 -17,-1.1 -2,-0.6 2,-0.4 -0.751 20.2 179.5 -97.3 87.0 6.2 4.3 -0.4 56 127 D H - 0 0 32 -2,-1.2 46,-3.0 -19,-0.2 2,-0.2 -0.744 19.4-136.8 -86.0 135.7 7.4 1.0 0.7 57 128 D D E - D 0 101B 1 -21,-0.5 -23,-2.3 -2,-0.4 2,-0.4 -0.476 6.7-131.8 -86.2 158.0 7.1 0.3 4.4 58 129 D f E -CD 33 100B 0 42,-2.9 41,-2.6 -25,-0.2 42,-1.4 -0.969 37.5-171.5-108.4 135.7 9.8 -1.4 6.5 59 130 D g E +CD 32 98B 1 -27,-2.2 -27,-2.7 -2,-0.4 39,-0.2 -0.748 45.3 58.1-132.0 163.9 8.4 -4.2 8.5 60 131 D G S S+ 0 0 15 37,-2.2 2,-0.3 1,-0.3 38,-0.1 0.580 89.4 80.9 87.3 10.2 9.0 -6.7 11.3 61 132 D K S S- 0 0 1 36,-0.7 -1,-0.3 -3,-0.2 3,-0.2 -0.967 84.9 -98.5-136.5 155.6 9.9 -4.2 14.0 62 133 D T - 0 0 4 -2,-0.3 545,-0.1 1,-0.2 544,-0.0 -0.166 65.6 -53.4 -72.1 168.4 7.6 -2.1 16.2 63 134 D A - 0 0 3 1,-0.1 36,-0.2 542,-0.1 -1,-0.2 -0.060 40.3-148.5 -53.0 128.1 6.8 1.6 15.4 64 135 D e - 0 0 0 35,-2.4 -1,-0.1 -3,-0.2 36,-0.1 0.903 19.8-158.8 -60.0 -44.3 9.9 3.7 15.0 65 136 D G + 0 0 16 34,-0.4 2,-0.3 1,-0.2 3,-0.3 0.401 49.8 109.7 85.0 -4.9 8.0 6.7 16.5 66 137 D R S S+ 0 0 44 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.825 76.2 7.3-109.6 145.0 10.3 9.4 14.9 67 138 D d S S- 0 0 45 -2,-0.3 -51,-2.2 -52,-0.2 2,-0.4 0.937 75.9-167.1 55.9 51.9 9.4 11.9 12.1 68 139 D Q E -A 15 0A 93 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.3 -0.609 8.3-178.0 -69.9 130.3 5.8 11.1 11.9 69 140 D a E -A 14 0A 3 -55,-3.0 -55,-2.3 -2,-0.4 -64,-0.0 -0.927 23.7-174.7-126.5 154.4 4.2 12.5 8.7 70 141 D N E +A 13 0A 71 -2,-0.3 2,-0.2 -57,-0.2 -57,-0.2 -0.368 26.2 158.0-142.9 61.8 0.7 12.5 7.4 71 142 D T - 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