==== 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 2I0T . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,D.LEYS . 963 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 62.7 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 36.6 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 0.8 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 . 73 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 9.3 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 . 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 2 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 4 7 6 21 7 3 0 3 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 2 10 6 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 0 104 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -64.2 20.8 16.1 -9.6 2 60 D I G > + 0 0 78 1,-0.3 3,-1.1 2,-0.2 6,-0.2 0.837 360.0 56.4 -57.9 -37.9 21.0 17.2 -6.0 3 61 D S G 3 S+ 0 0 14 1,-0.2 -1,-0.3 6,-0.0 56,-0.1 0.624 108.0 49.3 -70.4 -13.8 17.2 17.2 -5.6 4 62 D L G < S+ 0 0 39 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.428 102.0 65.3-101.9 -2.3 17.0 13.6 -6.7 5 63 D N X> + 0 0 73 -3,-1.1 3,-1.6 -4,-0.5 4,-0.8 -0.733 54.2 176.1-126.7 83.9 19.7 12.2 -4.3 6 64 D P T 34 S+ 0 0 9 0, 0.0 3,-0.2 0, 0.0 8,-0.2 0.731 74.8 68.9 -63.5 -24.2 18.7 12.5 -0.7 7 65 D D T 34 S+ 0 0 110 1,-0.2 4,-0.1 7,-0.0 -2,-0.0 0.764 106.3 41.4 -65.7 -24.9 21.8 10.7 0.7 8 66 D L T <4 S+ 0 0 149 -3,-1.6 -1,-0.2 -6,-0.2 3,-0.1 0.631 104.5 86.2 -91.7 -19.2 23.9 13.7 -0.4 9 67 D A S < S- 0 0 30 -4,-0.8 2,-0.2 -3,-0.2 -6,-0.0 -0.171 96.8 -71.2 -79.1 173.5 21.3 16.3 0.8 10 68 D N > - 0 0 93 1,-0.1 4,-2.0 2,-0.0 3,-0.5 -0.478 37.6-142.0 -65.2 129.7 21.0 17.9 4.2 11 69 D E H > S+ 0 0 114 1,-0.2 4,-2.4 -2,-0.2 -1,-0.1 0.860 100.6 57.2 -64.5 -37.4 19.6 15.3 6.7 12 70 D D H 4 S+ 0 0 126 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.832 109.7 47.8 -62.5 -31.0 17.4 17.9 8.5 13 71 D E H >4 S+ 0 0 79 -3,-0.5 3,-1.1 1,-0.2 6,-0.2 0.918 113.6 44.4 -72.7 -46.7 15.8 18.6 5.1 14 72 D V H 3< S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.803 109.2 58.4 -69.5 -27.6 15.2 14.9 4.2 15 73 D N T 3< S+ 0 0 38 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.2 0.242 89.6 96.0 -88.3 15.1 13.9 14.2 7.7 16 74 D S S X S- 0 0 39 -3,-1.1 3,-1.6 -5,-0.1 6,-0.2 -0.835 77.4-133.0-106.9 142.4 11.1 16.8 7.4 17 75 D a T 3 S+ 0 0 40 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.670 106.7 63.9 -64.1 -18.6 7.6 16.0 6.3 18 76 D D T 3 + 0 0 143 -5,-0.1 -1,-0.3 3,-0.0 -4,-0.1 0.512 69.8 121.9 -83.9 -7.7 7.9 18.9 3.9 19 77 D Y S X S- 0 0 10 -3,-1.6 3,-2.3 -6,-0.2 -5,-0.1 -0.365 74.9-118.7 -56.4 134.9 10.6 17.3 1.9 20 78 D W G > S+ 0 0 21 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.776 107.6 51.5 -58.2 -33.5 9.2 17.1 -1.6 21 79 D R G 3 S+ 0 0 0 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.618 95.5 71.3 -83.3 -3.8 9.2 13.4 -2.1 22 80 D H G X + 0 0 3 -3,-2.3 3,-1.3 1,-0.2 62,-0.3 -0.005 60.8 126.6 -92.7 30.3 7.4 12.7 1.2 23 81 D b T < S+ 0 0 17 -3,-0.6 63,-2.5 1,-0.3 -1,-0.2 0.637 78.7 28.1 -75.6 -13.4 4.2 14.1 -0.3 24 82 D A T 3 S+ 0 0 1 -3,-0.3 2,-0.5 61,-0.2 -1,-0.3 -0.109 84.2 138.5-135.7 41.7 1.9 11.1 0.5 25 83 D V < + 0 0 0 -3,-1.3 59,-2.2 -8,-0.2 2,-0.5 -0.753 24.7 178.6 -88.3 128.1 3.6 9.6 3.6 26 84 D D E +A 83 0A 13 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.867 62.7 39.3-120.9 86.0 1.3 8.3 6.4 27 85 D G E S-A 82 0A 0 55,-1.9 55,-3.1 -2,-0.5 2,-0.5 -0.989 99.1 -44.7 165.9-167.7 4.0 6.9 8.8 28 86 D F E -A 81 0A 0 -2,-0.3 86,-3.2 53,-0.3 2,-0.3 -0.819 57.8-113.7 -96.6 129.6 7.4 7.5 10.3 29 87 D L B > -b 114 0B 1 51,-2.1 3,-2.1 -2,-0.5 4,-0.2 -0.457 17.1-145.3 -65.7 123.5 10.2 8.5 8.0 30 88 D c G > >S+ 0 0 1 84,-2.4 5,-2.0 -2,-0.3 3,-1.7 0.779 96.3 67.7 -60.6 -28.1 12.7 5.7 7.8 31 89 D S G 3 5S+ 0 0 18 83,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.672 102.2 47.5 -66.5 -14.0 15.5 8.2 7.5 32 90 D d G < 5S+ 0 0 16 -3,-2.1 -1,-0.3 47,-0.2 -2,-0.2 0.373 105.7 62.7 -95.5 -0.1 14.8 9.2 11.1 33 91 D e T < 5S- 0 0 0 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.1 0.087 128.9 -79.6-118.6 17.1 14.7 5.6 12.2 34 92 D G T 5S+ 0 0 11 1,-0.3 221,-0.2 253,-0.3 -3,-0.2 0.503 108.6 84.5 93.8 2.4 18.2 4.4 11.5 35 93 D G S -F 39 0C 43 3,-2.1 3,-0.9 -2,-0.1 -4,-0.1 -0.800 42.5 -82.7-132.1-176.7 17.7 6.2 4.8 37 95 D T T 3 S+ 0 0 4 -2,-0.3 79,-1.1 1,-0.2 -7,-0.1 0.766 131.2 24.1 -58.7 -26.2 15.2 7.3 2.3 38 96 D T T 3 S+ 0 0 20 77,-0.1 211,-1.5 79,-0.1 2,-0.4 0.130 114.9 69.5-128.0 14.9 15.8 4.0 0.3 39 97 D T B < S-Fg 36 249C 27 -3,-0.9 -3,-2.1 209,-0.2 211,-0.2 -0.998 75.7-123.3-137.0 137.7 17.2 1.6 2.9 40 98 D f - 0 0 1 209,-2.8 212,-0.3 -2,-0.4 3,-0.1 -0.471 36.4 -99.4 -74.1 146.1 15.4 -0.0 5.8 41 99 D P > - 0 0 1 0, 0.0 3,-2.1 0, 0.0 210,-0.2 -0.283 64.0 -72.2 -54.2 149.8 16.7 0.5 9.3 42 100 D P T 3 S+ 0 0 4 0, 0.0 248,-0.4 0, 0.0 211,-0.1 -0.161 120.7 14.4 -49.0 130.9 18.7 -2.6 10.4 43 101 D G T 3 S+ 0 0 22 209,-0.3 2,-0.4 1,-0.3 294,-0.1 0.523 99.0 111.3 82.7 6.0 16.5 -5.6 11.0 44 102 D S < - 0 0 4 -3,-2.1 207,-0.4 -4,-0.1 -1,-0.3 -0.903 61.9-132.6-111.4 148.0 13.4 -4.3 9.3 45 103 D T E -C 72 0B 76 27,-2.8 27,-2.4 -2,-0.4 67,-0.1 -0.816 16.2-117.0-108.1 130.6 12.2 -5.8 6.1 46 104 D P E -C 71 0B 34 0, 0.0 25,-0.2 0, 0.0 204,-0.1 -0.288 26.7-122.7 -60.1 145.1 11.1 -4.0 3.0 47 105 D S E - 0 0 4 23,-2.5 201,-0.1 1,-0.1 56,-0.1 -0.713 7.9-148.2 -82.5 139.1 7.6 -4.3 1.8 48 106 D P E S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.547 83.6 51.5 -79.7 -9.2 7.2 -5.7 -1.8 49 107 D I E + 0 0 33 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.764 67.0 165.0-123.7 167.0 4.1 -3.6 -2.2 50 108 D S E -C 69 0B 10 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.985 37.8-102.1-166.3 164.1 3.3 0.1 -1.6 51 109 D X E -C 68 0B 6 17,-1.0 17,-2.9 -2,-0.3 2,-0.4 -0.687 41.6-134.2 -89.6 160.9 1.1 3.0 -2.2 52 110 D I E -C 67 0B 45 43,-2.3 2,-0.3 -2,-0.3 15,-0.2 -0.918 18.0-169.5-121.1 141.1 2.2 5.5 -4.9 53 111 D G E -C 66 0B 3 13,-2.7 13,-2.9 -2,-0.4 2,-0.5 -0.891 19.2-141.2-122.7 155.9 2.3 9.2 -4.9 54 112 D T E -C 65 0B 31 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.990 32.5-175.0-111.6 115.9 2.9 11.8 -7.6 55 113 D b E -C 64 0B 1 9,-2.7 9,-2.6 -2,-0.5 2,-0.4 -0.935 23.6-125.3-120.2 143.0 5.0 14.5 -6.0 56 114 D H E -C 63 0B 102 -2,-0.4 7,-0.2 7,-0.2 -33,-0.0 -0.675 15.5-144.9 -87.0 127.2 6.2 17.8 -7.4 57 115 D N > - 0 0 0 5,-3.0 4,-1.6 -2,-0.4 5,-0.3 -0.833 7.9-162.7 -90.0 111.8 10.0 18.5 -7.4 58 116 D P T 4 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.481 83.4 58.3 -78.2 0.2 10.3 22.2 -6.7 59 117 D H T 4 S+ 0 0 121 3,-0.1 -57,-0.0 -56,-0.1 -2,-0.0 0.895 122.4 18.4 -92.0 -52.7 14.0 22.2 -7.9 60 118 D D T 4 S- 0 0 56 2,-0.2 3,-0.1 -59,-0.0 -1,-0.0 0.514 99.1-127.0 -95.3 -5.0 13.6 20.9 -11.4 61 119 D G < + 0 0 46 -4,-1.6 2,-0.2 1,-0.2 -5,-0.0 0.543 67.2 122.6 75.2 10.4 9.8 21.7 -11.7 62 120 D K - 0 0 108 -5,-0.3 -5,-3.0 -6,-0.0 2,-0.4 -0.666 60.4-121.5-105.8 157.1 8.9 18.1 -12.7 63 121 D D E -C 56 0B 80 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.782 28.8-164.9 -97.5 141.5 6.5 15.6 -11.2 64 122 D Y E -C 55 0B 15 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.5 -0.949 22.2-120.2-128.0 147.0 7.8 12.2 -10.1 65 123 D L E -CD 54 120B 66 55,-3.1 54,-2.6 -2,-0.4 55,-1.1 -0.774 31.0-166.4 -82.9 124.9 6.3 8.9 -9.1 66 124 D I E -CD 53 118B 0 -13,-2.9 -13,-2.7 -2,-0.5 2,-0.6 -0.959 10.3-150.3-114.9 131.6 7.2 7.9 -5.6 67 125 D S E -CD 52 117B 9 50,-3.2 50,-2.7 -2,-0.4 2,-1.4 -0.918 8.8-149.6-103.9 118.7 6.7 4.4 -4.2 68 126 D Y E +C 51 0B 0 -17,-2.9 -17,-1.0 -2,-0.6 2,-0.4 -0.672 23.0 177.8 -91.9 83.3 6.0 4.4 -0.5 69 127 D H E -C 50 0B 35 -2,-1.4 46,-2.8 -19,-0.2 2,-0.2 -0.704 17.7-141.0 -83.0 137.5 7.4 1.1 0.6 70 128 D D E - E 0 114B 0 -21,-0.5 -23,-2.5 -2,-0.4 2,-0.4 -0.484 6.5-130.3 -90.7 161.3 7.3 0.3 4.3 71 129 D f E -CE 46 113B 0 42,-2.8 41,-2.1 -25,-0.2 42,-1.5 -0.966 38.9-172.7-107.7 137.9 9.9 -1.4 6.4 72 130 D g E +CE 45 111B 0 -27,-2.4 -27,-2.8 -2,-0.4 39,-0.2 -0.736 44.4 58.9-132.6 166.4 8.3 -4.1 8.5 73 131 D G S S+ 0 0 13 37,-2.4 2,-0.3 1,-0.3 38,-0.1 0.618 87.6 83.2 84.6 12.7 8.7 -6.6 11.2 74 132 D K S S- 0 0 1 36,-0.7 -1,-0.3 -3,-0.2 3,-0.2 -0.967 85.2 -97.9-135.6 154.4 9.7 -4.2 14.0 75 133 D T - 0 0 4 -2,-0.3 557,-0.1 1,-0.2 556,-0.0 -0.140 66.2 -53.5 -71.1 167.9 7.4 -2.2 16.2 76 134 D A - 0 0 3 1,-0.1 36,-0.2 554,-0.1 -1,-0.2 -0.048 40.2-148.4 -53.9 130.3 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 0.897 19.5-158.5 -62.8 -42.6 9.7 3.7 15.1 78 136 D G + 0 0 16 34,-0.3 2,-0.3 1,-0.2 3,-0.3 0.417 49.2 111.0 83.0 -1.2 7.9 6.6 16.5 79 137 D R S S+ 0 0 44 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.841 75.8 5.1-111.6 144.7 10.1 9.3 15.0 80 138 D d S S- 0 0 46 -2,-0.3 -51,-2.1 -52,-0.2 2,-0.4 0.938 75.8-166.3 54.9 54.2 9.3 11.9 12.2 81 139 D Q E -A 28 0A 91 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.3 -0.604 8.2-176.5 -70.6 129.0 5.6 11.0 11.9 82 140 D a E -A 27 0A 3 -55,-3.1 -55,-1.9 -2,-0.4 -64,-0.0 -0.904 23.3-174.9-123.2 156.4 4.1 12.4 8.7 83 141 D N E +A 26 0A 70 -2,-0.3 -57,-0.2 -57,-0.2 2,-0.2 -0.341 26.3 157.9-145.2 59.3 0.6 12.4 7.4 84 142 D T - 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