==== 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 2HJ4 . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; CHAIN D, H; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,D.LEYS . 946 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 63.8 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 . 351 37.1 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 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 9.8 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 . 12 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 5 7 5 22 8 3 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 0 170 0, 0.0 3,-1.6 0, 0.0 6,-0.3 0.000 360.0 360.0 360.0-164.7 22.5 -2.7 43.7 2 72 D V T 3 + 0 0 46 1,-0.3 17,-0.2 4,-0.1 5,-0.1 0.736 360.0 61.9 -64.6 -21.8 21.4 0.9 43.2 3 73 D N T 3 S+ 0 0 58 16,-0.1 2,-0.3 15,-0.1 -1,-0.3 0.507 86.0 96.0 -80.2 -5.2 24.8 1.7 41.7 4 74 D S S X S- 0 0 47 -3,-1.6 3,-1.5 1,-0.1 6,-0.2 -0.697 75.3-139.4 -86.7 137.7 24.0 -0.8 38.9 5 75 D a T 3 S+ 0 0 42 -2,-0.3 8,-0.2 1,-0.3 -1,-0.1 0.743 105.3 60.4 -64.4 -25.4 22.6 0.7 35.6 6 76 D D T 3 S+ 0 0 146 -5,-0.1 -1,-0.3 3,-0.1 -4,-0.1 0.507 71.8 125.1 -79.9 -7.5 20.3 -2.4 35.6 7 77 D Y S X S- 0 0 53 -3,-1.5 3,-2.0 -6,-0.3 -5,-0.1 -0.332 73.3-119.8 -52.6 134.1 18.8 -1.4 39.0 8 78 D W G > S+ 0 0 31 1,-0.3 3,-0.8 2,-0.1 -1,-0.1 0.793 107.4 56.0 -57.4 -36.6 15.0 -1.2 38.2 9 79 D R G 3 S+ 0 0 26 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.662 95.4 68.2 -67.7 -17.9 14.4 2.4 39.0 10 80 D H G X + 0 0 3 -3,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.076 61.3 125.4 -89.8 25.8 17.2 3.6 36.6 11 81 D b T < S+ 0 0 14 -3,-0.8 63,-2.0 1,-0.3 -1,-0.2 0.660 81.5 28.0 -70.3 -15.1 15.1 2.5 33.5 12 82 D A T 3 S+ 0 0 3 -3,-0.4 2,-0.5 61,-0.2 -1,-0.3 -0.031 87.8 130.6-131.1 30.5 15.3 5.9 31.8 13 83 D V < + 0 0 0 -3,-1.6 59,-2.6 -8,-0.2 2,-0.4 -0.731 26.1 174.9 -83.1 128.7 18.5 7.4 33.1 14 84 D D E +A 71 0A 20 -2,-0.5 2,-0.3 57,-0.3 57,-0.2 -0.847 59.6 43.9-128.2 92.9 21.0 8.8 30.6 15 85 D G E S-A 70 0A 0 55,-2.3 55,-3.8 -2,-0.4 2,-0.5 -0.977 98.2 -42.1 168.0-163.8 23.7 10.2 32.8 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.3 53,-0.3 2,-0.4 -0.803 54.7-118.5 -96.8 130.9 25.8 9.5 35.9 17 87 D L B > -b 102 0B 1 51,-2.2 3,-2.0 -2,-0.5 86,-0.2 -0.528 14.4-146.2 -66.9 123.2 24.2 7.9 39.0 18 88 D c G > >S+ 0 0 2 84,-2.3 5,-2.3 -2,-0.4 3,-2.0 0.767 95.5 71.9 -61.0 -25.9 24.5 10.4 41.9 19 89 D S G 3 5S+ 0 0 19 83,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.684 100.9 45.9 -65.0 -16.4 24.8 7.4 44.2 20 90 D d G < 5S+ 0 0 18 -3,-2.0 -1,-0.3 47,-0.2 -2,-0.2 0.338 106.2 62.1 -99.2 3.1 28.3 6.9 42.7 21 91 D e T < 5S- 0 0 0 -3,-2.0 -2,-0.2 -4,-0.1 -1,-0.1 0.066 128.9 -80.7-120.7 18.3 29.1 10.7 43.0 22 92 D G T 5S+ 0 0 17 1,-0.3 221,-0.2 -3,-0.2 -3,-0.2 0.505 108.7 83.9 89.2 5.8 29.0 11.1 46.8 23 93 D G S -E 27 0C 62 3,-2.1 3,-1.1 -2,-0.1 -6,-0.1 -0.833 40.1 -82.5-135.1 178.9 22.4 8.8 47.0 25 95 D T T 3 S+ 0 0 28 -2,-0.3 79,-2.0 1,-0.3 -7,-0.1 0.783 132.9 24.8 -49.1 -32.0 19.5 7.7 44.8 26 96 D T T 3 S+ 0 0 32 77,-0.2 211,-1.3 79,-0.1 2,-0.4 0.151 115.4 67.4-124.8 14.0 17.5 10.6 46.3 27 97 D T B < S-Ef 24 237C 26 -3,-1.1 -3,-2.1 209,-0.2 211,-0.2 -0.999 73.1-123.2-139.3 139.8 20.2 13.2 47.4 28 98 D f - 0 0 2 209,-2.3 212,-0.3 -2,-0.4 3,-0.1 -0.478 37.4-100.8 -75.0 146.2 22.6 15.4 45.5 29 99 D P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 210,-0.2 -0.276 62.9 -69.1 -55.9 155.9 26.3 15.2 46.2 30 100 D P T 3 S+ 0 0 3 0, 0.0 248,-0.4 0, 0.0 211,-0.1 -0.193 121.6 12.3 -51.4 132.6 27.5 18.0 48.4 31 101 D G T 3 S+ 0 0 23 209,-0.3 2,-0.4 1,-0.3 294,-0.1 0.577 98.5 114.0 74.0 12.6 27.5 21.4 46.7 32 102 D S < - 0 0 5 -3,-1.9 207,-0.4 292,-0.1 -1,-0.3 -0.919 60.8-133.1-111.1 145.7 25.3 20.3 43.7 33 103 D T E -C 60 0B 77 27,-3.0 27,-2.8 -2,-0.4 29,-0.1 -0.820 14.8-119.8-106.5 128.5 21.9 21.7 43.3 34 104 D P E -C 59 0B 38 0, 0.0 25,-0.2 0, 0.0 204,-0.1 -0.357 26.5-121.5 -60.2 141.1 18.7 19.7 42.6 35 105 D S - 0 0 2 23,-2.4 201,-0.1 1,-0.1 56,-0.1 -0.734 9.5-146.7 -78.7 133.2 16.8 20.5 39.4 36 106 D P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.553 84.6 47.1 -75.9 -6.4 13.2 21.6 40.1 37 107 D I + 0 0 36 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.835 67.4 160.0-129.7 163.1 12.1 20.0 36.8 38 108 D S - 0 0 9 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.977 40.8 -98.5-169.0 162.5 12.9 16.6 35.2 39 109 D X E -G 56 0D 5 17,-0.5 17,-2.4 -2,-0.3 2,-0.3 -0.637 42.6-139.6 -84.6 160.5 11.9 14.0 32.7 40 110 D I E -G 55 0D 59 43,-2.9 2,-0.3 -2,-0.3 15,-0.2 -0.901 12.6-158.9-126.7 146.3 10.0 11.1 34.2 41 111 D G E -G 54 0D 4 13,-2.8 13,-3.0 -2,-0.3 2,-0.5 -0.883 16.1-136.2-122.9 159.9 10.1 7.4 33.5 42 112 D T E -G 53 0D 51 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.972 33.9-179.5-113.3 110.9 7.8 4.4 34.1 43 113 D b E -G 52 0D 0 9,-2.8 9,-2.7 -2,-0.5 2,-0.5 -0.939 26.4-125.5-122.3 140.9 9.8 1.5 35.5 44 114 D H E -G 51 0D 91 -2,-0.4 7,-0.2 7,-0.2 3,-0.1 -0.665 16.4-146.6 -83.0 122.3 8.8 -2.1 36.5 45 115 D N E >>> -G 50 0D 20 5,-3.3 4,-1.7 -2,-0.5 3,-0.8 -0.776 8.2-166.3 -86.9 111.0 9.7 -3.1 40.1 46 116 D P T 345S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.799 80.6 68.4 -72.0 -22.8 10.5 -6.8 39.8 47 117 D H T 345S+ 0 0 148 1,-0.2 -2,-0.0 3,-0.1 -3,-0.0 0.778 122.1 12.2 -65.2 -31.4 10.3 -7.2 43.7 48 118 D D T <45S- 0 0 69 -3,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.398 99.1-118.3-125.6 -0.8 6.5 -6.6 43.8 49 119 D G T <5S+ 0 0 46 -4,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.574 72.9 127.2 74.7 10.9 5.5 -6.8 40.1 50 120 D K E < -G 45 0D 107 -5,-0.6 -5,-3.3 -6,-0.0 2,-0.4 -0.735 55.7-130.4-107.0 149.5 4.3 -3.2 40.1 51 121 D D E -G 44 0D 74 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.784 26.0-166.7-100.2 139.7 5.2 -0.3 37.8 52 122 D Y E -G 43 0D 37 -9,-2.7 -9,-2.8 -2,-0.4 2,-0.5 -0.927 25.5-119.3-130.9 150.1 6.2 3.1 39.2 53 123 D L E -GH 42 108D 68 55,-3.5 54,-2.6 -2,-0.3 55,-1.2 -0.772 32.9-165.7 -82.1 125.3 6.7 6.7 38.1 54 124 D I E -GH 41 106D 0 -13,-3.0 -13,-2.8 -2,-0.5 2,-0.5 -0.968 9.4-147.3-117.3 128.5 10.3 7.6 38.7 55 125 D S E -GH 40 105D 6 50,-3.0 50,-2.7 -2,-0.4 2,-1.0 -0.872 4.4-152.7 -98.2 127.6 11.4 11.3 38.5 56 126 D Y E +G 39 0D 0 -17,-2.4 -17,-0.5 -2,-0.5 2,-0.3 -0.551 21.6 176.1-103.3 67.5 14.9 11.9 37.2 57 127 D H - 0 0 41 -2,-1.0 46,-2.5 -19,-0.2 -19,-0.1 -0.536 20.4-140.6 -68.2 130.9 15.9 15.1 38.9 58 128 D D E - D 0 102B 0 -21,-0.5 -23,-2.4 -2,-0.3 2,-0.4 -0.438 6.0-127.3 -87.9 165.2 19.4 16.1 38.1 59 129 D f E -CD 34 101B 0 42,-2.9 41,-2.0 -25,-0.2 42,-1.5 -0.964 39.4-173.9-111.6 134.7 22.0 17.6 40.4 60 130 D g E +CD 33 99B 0 -27,-2.8 -27,-3.0 -2,-0.4 39,-0.2 -0.759 44.7 59.4-130.7 166.9 23.5 20.7 38.9 61 131 D G S S+ 0 0 14 37,-2.1 2,-0.3 1,-0.3 38,-0.1 0.530 88.9 82.8 88.1 8.2 26.1 23.4 39.2 62 132 D K S S- 0 0 2 36,-0.7 -1,-0.3 -3,-0.2 3,-0.2 -0.959 84.1 -98.8-133.3 154.7 29.2 21.1 39.2 63 133 D T - 0 0 4 -2,-0.3 555,-0.1 1,-0.2 554,-0.0 -0.181 65.9 -53.1 -70.0 167.8 31.0 19.5 36.3 64 134 D A - 0 0 5 1,-0.1 36,-0.2 552,-0.1 -1,-0.2 -0.028 40.8-149.4 -53.8 126.4 30.4 16.0 35.1 65 135 D e - 0 0 0 35,-2.0 -1,-0.1 -3,-0.2 36,-0.1 0.909 19.7-159.5 -61.2 -41.5 30.7 13.4 37.8 66 136 D G + 0 0 23 34,-0.3 2,-0.4 1,-0.2 3,-0.2 0.521 48.7 110.7 77.2 5.6 31.9 10.9 35.3 67 137 D R S S+ 0 0 40 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.903 75.8 6.6-117.7 143.7 31.1 7.8 37.4 68 138 D d S S- 0 0 45 -2,-0.4 -51,-2.2 1,-0.2 2,-0.6 0.937 74.1-165.9 53.4 55.9 28.4 5.2 36.8 69 139 D Q E -A 16 0A 92 -3,-0.2 2,-0.3 -53,-0.2 -53,-0.3 -0.626 10.1-174.4 -71.4 119.0 27.4 6.5 33.4 70 140 D a E -A 15 0A 2 -55,-3.8 -55,-2.3 -2,-0.6 2,-0.3 -0.889 18.1-174.9-117.7 151.9 24.1 4.8 32.6 71 141 D N E +A 14 0A 84 -2,-0.3 2,-0.4 -57,-0.2 -57,-0.3 -0.813 18.9 153.4-147.7 96.3 22.0 4.9 29.5 72 142 D T - 0 0 36 -59,-2.6 798,-0.1 -2,-0.3 799,-0.1 -0.964 20.2-171.2-127.7 144.8 18.6 3.1 29.6 73 143 D Q > + 0 0 7 -2,-0.4 3,-1.5 797,-0.3 2,-0.3 0.023 20.8 156.6-132.3 23.5 15.7 4.2 27.4 74 144 D T T 3 S- 0 0 30 -63,-2.0 -32,-0.4 1,-0.3 3,-0.1 -0.395 84.3 -12.5 -59.3 115.6 12.7 2.2 28.6 75 145 D R T 3 S+ 0 0 94 -2,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.530 97.6 149.3 66.2 9.4 9.5 4.2 27.5 76 146 D E < - 0 0 3 -3,-1.5 -1,-0.2 -34,-0.0 9,-0.2 -0.487 25.2-170.3 -71.7 140.4 11.7 7.2 26.7 77 147 D R - 0 0 22 7,-1.5 9,-0.2 4,-0.3 7,-0.1 -0.863 23.3 -84.9-133.9 162.6 10.3 9.3 23.8 78 148 D P > - 0 0 11 0, 0.0 3,-2.5 0, 0.0 6,-0.3 0.097 53.4 -83.5 -67.3 177.9 11.4 12.3 21.7 79 149 D G T 3 S+ 0 0 2 1,-0.3 3,-0.5 5,-0.1 6,-0.1 0.656 121.0 70.5 -60.7 -17.9 11.3 16.0 22.4 80 150 D Y T 3 S+ 0 0 11 1,-0.3 -1,-0.3 665,-0.1 2,-0.2 0.528 103.7 46.1 -76.9 -6.7 7.7 16.4 21.3 81 151 D E S X S+ 0 0 43 -3,-2.5 3,-2.1 1,-0.1 -1,-0.3 -0.676 88.8 177.8-120.0 74.9 6.9 14.4 24.5 82 152 D F G > + 0 0 17 -3,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.779 66.3 50.3 -64.6 -38.6 9.3 16.6 26.4 83 153 D F G 3 S+ 0 0 102 1,-0.3 -43,-2.9 -44,-0.1 -1,-0.3 0.432 110.1 52.4 -86.4 6.0 8.9 15.3 29.9 84 154 D L G < S+ 0 0 61 -3,-2.1 -7,-1.5 -6,-0.3 2,-0.4 0.257 94.0 100.0-105.9 6.1 9.5 11.7 28.8 85 155 D H < + 0 0 4 -3,-1.5 3,-0.2 -9,-0.2 -9,-0.0 -0.793 43.4 178.6-107.6 133.7 12.7 12.7 26.9 86 156 D N + 0 0 6 -2,-0.4 4,-0.1 -9,-0.2 -1,-0.1 0.248 62.4 87.3-118.4 15.5 16.3 12.3 28.2 87 157 D D S S+ 0 0 6 2,-0.1 611,-2.7 610,-0.1 2,-0.3 0.276 83.0 73.4 -96.0 11.5 18.5 13.7 25.4 88 158 D V B S-I 697 0E 8 609,-0.3 2,-0.9 -3,-0.2 609,-0.3 -0.812 94.7-100.3-118.0 161.9 18.2 17.1 26.9 89 159 D N > - 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