==== 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 2AGL . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR L.MASGRAU,A.ROUJEINIKOVA,L.O.JOHANNISSEN,P.HOTHI,J.BASRAN, . 948 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32374.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 63.0 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 . 349 36.8 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 . 75 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 5 8 4 21 7 3 0 4 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 2 10 5 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 0 173 0, 0.0 3,-1.5 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -26.6 16.2 18.3 4.8 2 72 D V T 3 + 0 0 53 1,-0.3 17,-0.2 4,-0.1 18,-0.1 0.706 360.0 61.8 -69.3 -18.0 15.2 14.6 4.2 3 73 D N T 3 S+ 0 0 82 16,-0.1 2,-0.4 15,-0.1 -1,-0.3 0.394 87.1 92.5 -88.8 5.3 14.0 14.2 7.8 4 74 D S S X S- 0 0 54 -3,-1.5 3,-1.8 1,-0.1 6,-0.2 -0.803 77.1-133.6 -98.9 140.3 11.3 16.9 7.4 5 75 D a T 3 S+ 0 0 39 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.749 105.4 61.6 -59.8 -25.8 7.7 16.0 6.4 6 76 D D T 3 S+ 0 0 143 -5,-0.1 -1,-0.3 3,-0.1 5,-0.1 0.494 70.4 122.3 -86.0 0.4 7.9 18.9 3.8 7 77 D Y S X S- 0 0 28 -3,-1.8 3,-2.1 -6,-0.2 -5,-0.1 -0.385 74.1-119.4 -59.9 139.0 10.8 17.4 1.8 8 78 D W G > S+ 0 0 29 1,-0.3 3,-0.9 2,-0.1 -1,-0.1 0.777 107.3 56.8 -61.9 -32.0 9.4 17.1 -1.7 9 79 D R G 3 S+ 0 0 54 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.631 97.5 66.0 -74.0 -11.9 9.7 13.3 -2.1 10 80 D H G X + 0 0 2 -3,-2.1 3,-1.7 1,-0.2 62,-0.3 0.076 61.4 124.5 -95.5 23.8 7.5 12.7 1.1 11 81 D b T < S+ 0 0 13 -3,-0.9 63,-2.2 1,-0.3 -1,-0.2 0.624 81.4 30.2 -69.2 -16.1 4.4 14.1 -0.4 12 82 D A T 3 S+ 0 0 2 -3,-0.3 2,-0.5 61,-0.2 -1,-0.3 -0.015 85.4 135.4-128.6 30.7 2.2 11.0 0.2 13 83 D V < + 0 0 0 -3,-1.7 59,-2.6 -8,-0.2 2,-0.5 -0.716 24.1 175.0 -78.6 124.2 3.9 9.6 3.4 14 84 D D E +A 71 0A 17 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.909 61.6 43.4-120.5 94.2 1.6 8.4 6.2 15 85 D G E S-A 70 0A 0 55,-1.9 55,-2.9 -2,-0.5 2,-0.4 -0.990 99.8 -46.5 164.0-167.3 4.1 6.9 8.6 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.2 53,-0.2 2,-0.4 -0.859 57.9-113.2 -97.2 134.0 7.5 7.5 10.2 17 87 D L B > -b 102 0B 1 51,-2.2 3,-2.1 -2,-0.4 4,-0.2 -0.491 17.3-146.6 -68.5 123.3 10.3 8.6 7.9 18 88 D c G > >S+ 0 0 1 84,-2.4 5,-2.1 -2,-0.4 3,-1.8 0.793 95.3 69.3 -60.8 -27.1 12.9 5.7 7.7 19 89 D S G 3 5S+ 0 0 18 83,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.685 101.5 46.8 -63.7 -18.0 15.7 8.3 7.4 20 90 D d G < 5S+ 0 0 14 -3,-2.1 -1,-0.3 47,-0.2 -2,-0.2 0.376 106.3 62.1 -95.3 0.6 15.0 9.3 11.0 21 91 D e T < 5S- 0 0 0 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.1 0.096 128.3 -79.7-119.0 15.6 14.9 5.6 12.2 22 92 D G T 5S+ 0 0 12 1,-0.3 219,-0.2 -3,-0.3 -3,-0.2 0.526 109.0 81.1 95.2 1.0 18.4 4.4 11.4 23 93 D G S -F 27 0C 62 3,-2.1 3,-0.8 -2,-0.1 -4,-0.1 -0.771 41.7 -82.4-133.9-175.7 17.7 6.3 4.7 25 95 D T T 3 S+ 0 0 26 -2,-0.2 79,-1.7 1,-0.2 -7,-0.1 0.765 131.5 27.6 -60.9 -24.7 15.1 7.3 2.1 26 96 D T T 3 S+ 0 0 29 77,-0.2 209,-1.3 79,-0.1 2,-0.4 0.106 115.4 64.7-123.5 15.7 15.9 4.1 0.1 27 97 D T B < S-Fg 24 235C 28 -3,-0.8 -3,-2.1 207,-0.2 209,-0.2 -0.995 74.8-123.6-140.8 141.3 17.2 1.6 2.8 28 98 D f - 0 0 1 207,-2.3 210,-0.3 -2,-0.4 3,-0.1 -0.491 37.3-100.0 -76.9 146.6 15.4 0.0 5.7 29 99 D P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 208,-0.2 -0.269 62.6 -70.4 -54.9 153.5 16.8 0.5 9.2 30 100 D P T 3 S+ 0 0 4 0, 0.0 246,-0.4 0, 0.0 209,-0.1 -0.161 121.3 14.5 -51.2 130.2 18.9 -2.6 10.4 31 101 D G T 3 S+ 0 0 21 207,-0.3 2,-0.4 1,-0.3 292,-0.1 0.557 99.6 110.4 83.7 6.0 16.7 -5.6 11.0 32 102 D S < - 0 0 4 -3,-2.0 205,-0.4 -4,-0.1 -1,-0.3 -0.924 60.9-134.7-112.7 146.0 13.6 -4.3 9.3 33 103 D T E -C 60 0B 78 27,-2.7 27,-2.3 -2,-0.4 67,-0.1 -0.841 15.7-118.6-106.5 130.9 12.4 -5.9 6.0 34 104 D P E -C 59 0B 33 0, 0.0 25,-0.2 0, 0.0 202,-0.1 -0.287 26.3-121.2 -61.8 145.1 11.2 -4.0 2.9 35 105 D S E - 0 0 2 23,-2.4 199,-0.1 1,-0.1 56,-0.1 -0.729 9.5-146.8 -81.0 139.4 7.6 -4.5 1.7 36 106 D P E S+ 0 0 97 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.674 85.5 52.2 -76.8 -15.8 7.5 -5.8 -1.9 37 107 D I E + 0 0 36 53,-0.4 21,-0.5 19,-0.0 2,-0.3 -0.677 69.2 163.7-116.5 164.2 4.3 -3.8 -2.4 38 108 D S E -C 57 0B 12 -2,-0.2 2,-0.2 19,-0.2 19,-0.2 -0.983 39.2-101.2-167.9 160.4 3.6 -0.1 -1.8 39 109 D X E -C 56 0B 4 17,-0.9 17,-3.1 -2,-0.3 2,-0.4 -0.633 40.3-141.9 -85.4 157.1 1.5 2.8 -2.4 40 110 D I E -C 55 0B 60 43,-2.5 2,-0.3 -2,-0.2 15,-0.2 -0.937 15.2-169.3-123.4 143.7 2.8 5.2 -5.0 41 111 D G E -C 54 0B 3 13,-3.0 13,-3.0 -2,-0.4 2,-0.5 -0.895 19.4-136.7-126.1 159.0 2.6 9.0 -5.1 42 112 D T E -C 53 0B 55 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.983 31.2-173.6-116.5 118.2 3.3 11.6 -7.7 43 113 D b E -C 52 0B 0 9,-2.6 9,-2.7 -2,-0.5 2,-0.5 -0.901 24.7-118.3-118.6 145.4 5.3 14.5 -6.2 44 114 D H E -C 51 0B 98 -2,-0.4 7,-0.2 7,-0.2 6,-0.0 -0.661 20.5-140.3 -86.4 120.1 6.4 17.8 -7.6 45 115 D N > - 0 0 17 5,-3.0 4,-1.6 -2,-0.5 5,-0.1 -0.730 8.0-156.5 -79.7 118.3 10.2 18.4 -7.7 46 116 D P T 4 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.490 87.0 54.2 -76.8 -5.6 10.7 22.1 -6.7 47 117 D H T 4 S+ 0 0 147 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.914 123.5 17.4 -91.7 -59.4 14.0 22.2 -8.5 48 118 D D T 4 S- 0 0 66 2,-0.1 3,-0.1 0, 0.0 -4,-0.0 0.495 96.3-126.6 -92.6 -6.4 13.2 21.1 -12.1 49 119 D G < + 0 0 43 -4,-1.6 2,-0.2 1,-0.2 -5,-0.0 0.558 67.0 127.0 72.7 11.2 9.5 21.7 -11.8 50 120 D K - 0 0 111 -5,-0.1 -5,-3.0 -6,-0.0 2,-0.4 -0.649 59.5-120.5 -99.9 153.6 8.7 18.1 -13.0 51 121 D D E -C 44 0B 78 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.769 29.6-163.2 -93.5 138.0 6.5 15.5 -11.2 52 122 D Y E -C 43 0B 35 -9,-2.7 -9,-2.6 -2,-0.4 2,-0.5 -0.946 22.0-117.2-124.7 146.0 8.0 12.2 -10.2 53 123 D L E -CD 42 108B 50 55,-2.8 54,-2.8 -2,-0.4 55,-1.1 -0.705 31.3-168.7 -77.9 123.0 6.6 8.8 -9.2 54 124 D I E -CD 41 106B 0 -13,-3.0 -13,-3.0 -2,-0.5 2,-0.6 -0.968 10.7-148.7-115.0 129.9 7.6 7.9 -5.6 55 125 D S E -CD 40 105B 5 50,-3.2 50,-2.5 -2,-0.4 2,-1.3 -0.890 6.0-152.7-101.9 119.1 7.1 4.4 -4.3 56 126 D Y E +C 39 0B 0 -17,-3.1 -17,-0.9 -2,-0.6 2,-0.3 -0.636 21.2 176.5 -98.0 76.7 6.4 4.3 -0.6 57 127 D H E -C 38 0B 25 -2,-1.3 46,-2.9 -19,-0.2 2,-0.2 -0.619 21.1-137.2 -75.1 137.5 7.6 0.9 0.5 58 128 D D E - E 0 102B 1 -21,-0.5 -23,-2.4 -2,-0.3 2,-0.4 -0.482 5.5-129.6 -89.3 160.9 7.4 0.3 4.2 59 129 D f E -CE 34 101B 0 42,-2.9 41,-2.3 -25,-0.2 42,-1.5 -0.970 38.9-172.9-110.8 136.6 10.0 -1.4 6.4 60 130 D g E +CE 33 99B 0 -27,-2.3 -27,-2.7 -2,-0.4 39,-0.2 -0.757 44.0 57.4-133.8 164.0 8.5 -4.1 8.4 61 131 D G S S+ 0 0 14 37,-2.3 2,-0.3 1,-0.3 38,-0.1 0.651 88.5 82.5 85.4 13.6 8.9 -6.7 11.2 62 132 D K S S- 0 0 1 36,-0.7 -1,-0.3 -3,-0.2 3,-0.2 -0.975 85.1 -97.8-139.4 152.4 9.9 -4.3 14.0 63 133 D T - 0 0 4 -2,-0.3 554,-0.1 1,-0.2 553,-0.0 -0.144 65.8 -53.5 -68.5 166.3 7.7 -2.2 16.2 64 134 D A - 0 0 3 1,-0.1 36,-0.2 551,-0.1 -1,-0.2 -0.020 39.3-148.2 -50.3 128.8 6.9 1.5 15.5 65 135 D e - 0 0 0 35,-2.2 -1,-0.1 -3,-0.2 36,-0.1 0.908 20.5-158.6 -62.0 -44.0 9.9 3.7 15.0 66 136 D G + 0 0 15 34,-0.3 2,-0.3 1,-0.2 3,-0.3 0.483 49.5 109.8 83.0 3.2 8.0 6.6 16.5 67 137 D R S S+ 0 0 45 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.874 75.9 6.8-115.9 144.7 10.2 9.4 15.0 68 138 D d S S- 0 0 46 -2,-0.3 -51,-2.2 -52,-0.2 2,-0.3 0.930 74.8-166.7 54.0 53.7 9.4 11.8 12.2 69 139 D Q E -A 16 0A 94 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.582 9.4-177.3 -68.0 131.0 5.7 11.0 11.9 70 140 D a E -A 15 0A 3 -55,-2.9 -55,-1.9 -2,-0.3 -64,-0.0 -0.914 23.9-174.3-129.5 153.7 4.3 12.5 8.7 71 141 D N E +A 14 0A 70 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.2 -0.429 25.0 157.5-146.2 65.4 0.7 12.5 7.2 72 142 D T - 0 0 38 -59,-2.6 798,-0.1 -62,-0.3 797,-0.1 -0.720 18.9-173.4-101.6 147.6 1.0 14.1 3.8 73 143 D Q > + 0 0 5 796,-0.4 3,-1.6 -2,-0.3 796,-0.3 0.048 16.7 158.1-138.4 21.8 -1.7 13.4 1.2 74 144 D T T 3 S- 0 0 34 -63,-2.2 -32,-0.4 1,-0.3 3,-0.1 -0.415 86.7 -13.0 -58.1 118.3 -0.7 15.0 -2.2 75 145 D R T 3 S+ 0 0 75 -2,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.483 98.1 150.4 63.5 13.9 -2.7 13.0 -4.8 76 146 D E < - 0 0 2 -3,-1.6 -1,-0.2 9,-0.0 9,-0.2 -0.419 24.4-169.2 -75.2 141.7 -3.6 10.3 -2.3 77 147 D R - 0 0 21 7,-1.6 9,-0.2 4,-0.3 717,-0.1 -0.877 23.7 -87.0-132.5 161.7 -6.9 8.6 -2.9 78 148 D P > - 0 0 12 0, 0.0 3,-2.5 0, 0.0 6,-0.3 -0.015 53.5 -85.2 -66.9 177.0 -9.2 6.1 -1.0 79 149 D G G > S+ 0 0 2 1,-0.3 3,-0.5 5,-0.1 6,-0.1 0.593 119.9 73.7 -66.8 -13.1 -9.0 2.3 -1.0 80 150 D Y G 3 S+ 0 0 8 1,-0.3 -1,-0.3 664,-0.1 2,-0.2 0.549 103.5 43.5 -74.4 -8.8 -11.1 2.0 -4.2 81 151 D E G X S- 0 0 42 -3,-2.5 3,-2.3 1,-0.1 -1,-0.3 -0.676 91.1-179.7-121.7 74.0 -7.9 3.3 -5.9 82 152 D F G X + 0 0 20 -3,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.756 67.1 51.3 -60.4 -40.2 -5.8 1.0 -3.7 83 153 D F G 3 S+ 0 0 98 1,-0.3 -43,-2.5 -44,-0.1 -1,-0.3 0.468 109.4 52.2 -82.3 3.8 -2.3 1.6 -4.8 84 154 D L G < S+ 0 0 54 -3,-2.3 -7,-1.6 -6,-0.3 2,-0.4 0.261 92.4 102.5-104.4 5.8 -2.7 5.4 -4.4 85 155 D H < + 0 0 4 -3,-1.5 3,-0.3 -4,-0.2 -9,-0.0 -0.779 43.4 179.6-105.0 130.6 -4.0 4.9 -0.8 86 156 D N + 0 0 1 -2,-0.4 4,-0.1 -9,-0.2 -1,-0.1 0.275 64.1 85.2-116.8 16.2 -1.9 5.5 2.3 87 157 D D S S+ 0 0 3 2,-0.1 610,-2.5 610,-0.1 2,-0.3 0.135 81.6 78.4 -98.8 16.9 -4.4 4.7 5.2 88 158 D V B S-H 696 0D 7 -3,-0.3 2,-0.8 608,-0.2 608,-0.3 -0.889 92.3-105.1-117.8 156.0 -3.4 1.0 5.0 89 159 D N > - 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