==== 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 05-JUL-06 2HKM . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,D.LEYS . 950 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32499.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 63.4 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 . 350 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 . 77 8.1 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 . 24 2.5 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 8 20 7 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 0 174 0, 0.0 3,-1.1 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -41.9 16.0 18.6 4.9 2 72 D V T 3 + 0 0 56 1,-0.2 17,-0.2 4,-0.1 18,-0.1 0.761 360.0 61.2 -69.4 -22.9 15.2 14.9 4.1 3 73 D N T 3 S+ 0 0 79 16,-0.1 2,-0.4 15,-0.1 -1,-0.2 0.334 88.8 92.4 -88.4 8.6 13.9 14.3 7.7 4 74 D S S X S- 0 0 49 -3,-1.1 3,-1.6 1,-0.1 6,-0.2 -0.814 77.9-132.9-102.7 144.0 11.2 17.0 7.3 5 75 D a T 3 S+ 0 0 40 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.657 106.2 64.4 -67.0 -16.7 7.6 16.2 6.2 6 76 D D T 3 + 0 0 148 -5,-0.1 -1,-0.3 3,-0.0 -4,-0.1 0.554 69.4 122.3 -84.4 -11.7 8.0 19.2 3.8 7 77 D Y S X S- 0 0 45 -3,-1.6 3,-2.0 -6,-0.2 -5,-0.1 -0.310 74.9-120.7 -51.8 135.3 10.7 17.5 1.8 8 78 D W G > S+ 0 0 34 1,-0.3 3,-0.6 2,-0.1 36,-0.1 0.789 107.3 56.4 -60.3 -30.7 9.3 17.3 -1.7 9 79 D R G 3 S+ 0 0 26 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.651 95.1 66.7 -70.1 -22.2 9.5 13.5 -2.0 10 80 D H G X + 0 0 3 -3,-2.0 3,-1.4 1,-0.2 62,-0.3 -0.001 60.5 126.9 -93.3 31.3 7.3 12.9 1.1 11 81 D b T < S+ 0 0 16 -3,-0.6 63,-2.2 1,-0.3 -1,-0.2 0.654 81.5 28.5 -74.7 -15.1 4.2 14.3 -0.4 12 82 D A T 3 S+ 0 0 3 -3,-0.4 2,-0.5 61,-0.2 -1,-0.3 -0.054 86.1 137.9-130.3 36.5 1.9 11.3 0.3 13 83 D V < + 0 0 0 -3,-1.4 59,-2.3 -8,-0.2 2,-0.5 -0.712 24.7 177.9 -83.3 124.5 3.7 9.8 3.4 14 84 D D E +A 71 0A 17 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.935 60.0 34.2-118.1 97.0 1.5 8.5 6.3 15 85 D G E S-A 70 0A 0 55,-2.4 55,-3.0 -2,-0.5 2,-0.4 -0.963 99.9 -38.7 154.6-167.0 3.9 7.2 8.8 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.4 53,-0.2 2,-0.3 -0.797 58.9-114.9 -95.1 130.1 7.4 7.6 10.3 17 87 D L B > -b 102 0B 1 51,-2.2 3,-2.1 -2,-0.4 86,-0.2 -0.466 16.0-145.4 -69.0 125.0 10.2 8.6 8.0 18 88 D c G > >S+ 0 0 1 84,-2.3 5,-2.0 -2,-0.3 3,-1.7 0.754 95.8 68.5 -61.1 -24.8 12.8 5.8 7.8 19 89 D S G 3 5S+ 0 0 17 83,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.649 101.3 47.7 -70.9 -13.7 15.6 8.3 7.4 20 90 D d G < 5S+ 0 0 16 -3,-2.1 -1,-0.3 47,-0.2 -2,-0.2 0.330 105.4 63.3 -96.2 -0.1 14.9 9.3 11.1 21 91 D e T < 5S- 0 0 0 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.1 0.107 128.0 -80.2-119.1 18.3 14.8 5.7 12.2 22 92 D G T 5S+ 0 0 11 1,-0.4 221,-0.2 253,-0.3 -3,-0.2 0.491 108.7 83.5 93.1 2.1 18.3 4.5 11.4 23 93 D G S -F 27 0C 66 3,-2.2 3,-0.8 -2,-0.1 -4,-0.1 -0.803 41.5 -83.3-133.2-177.4 17.7 6.3 4.8 25 95 D T T 3 S+ 0 0 23 -2,-0.3 79,-1.0 1,-0.2 -7,-0.1 0.791 131.3 25.7 -60.6 -26.3 15.1 7.3 2.2 26 96 D T T 3 S+ 0 0 36 77,-0.1 211,-1.4 1,-0.1 2,-0.4 0.197 114.5 68.9-124.4 16.0 15.9 4.1 0.2 27 97 D T B < S-Fg 24 237C 26 -3,-0.8 -3,-2.2 209,-0.2 211,-0.2 -0.997 75.1-126.1-137.1 133.7 17.2 1.7 2.9 28 98 D f - 0 0 1 209,-2.6 212,-0.3 -2,-0.4 3,-0.1 -0.460 37.8 -98.9 -69.1 144.5 15.3 0.1 5.7 29 99 D P > - 0 0 1 0, 0.0 3,-2.0 0, 0.0 210,-0.2 -0.276 63.3 -70.9 -54.8 153.6 16.7 0.5 9.2 30 100 D P T 3 S+ 0 0 3 0, 0.0 248,-0.4 0, 0.0 211,-0.1 -0.187 121.0 14.3 -51.8 133.2 18.7 -2.6 10.3 31 101 D G T 3 S+ 0 0 23 209,-0.3 2,-0.4 1,-0.3 294,-0.1 0.501 99.8 109.5 80.5 4.9 16.5 -5.6 10.9 32 102 D S < - 0 0 3 -3,-2.0 207,-0.4 292,-0.1 -1,-0.3 -0.910 61.3-134.8-110.1 147.0 13.3 -4.2 9.2 33 103 D T E -C 60 0B 77 27,-2.7 27,-2.5 -2,-0.4 29,-0.1 -0.820 15.7-115.8-109.7 132.6 12.2 -5.7 5.9 34 104 D P E -C 59 0B 31 0, 0.0 25,-0.2 0, 0.0 204,-0.1 -0.325 28.8-119.2 -59.9 145.2 11.0 -3.8 2.8 35 105 D S E - 0 0 3 23,-2.4 201,-0.1 1,-0.1 56,-0.1 -0.657 9.8-146.4 -78.7 139.9 7.4 -4.2 1.7 36 106 D P E S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.576 86.2 49.9 -79.6 -9.1 7.1 -5.7 -1.8 37 107 D I E + 0 0 32 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.834 67.9 166.1-125.9 159.7 4.0 -3.6 -2.3 38 108 D S E -C 57 0B 11 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.981 37.6-102.9-159.8 164.7 3.4 0.1 -1.7 39 109 D X E -C 56 0B 5 17,-0.9 17,-2.8 -2,-0.3 2,-0.4 -0.651 42.1-133.4 -88.2 160.0 1.1 3.0 -2.4 40 110 D I E -C 55 0B 48 43,-2.9 2,-0.3 -2,-0.3 15,-0.2 -0.915 18.8-168.4-120.5 142.2 2.3 5.4 -5.0 41 111 D G E -C 54 0B 5 13,-2.8 13,-2.8 -2,-0.4 2,-0.5 -0.863 18.5-142.0-121.7 158.8 2.5 9.2 -5.1 42 112 D T E -C 53 0B 22 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.991 31.3-176.4-115.6 116.7 3.1 11.9 -7.7 43 113 D b E -C 52 0B 1 9,-2.6 9,-2.5 -2,-0.5 2,-0.4 -0.929 23.7-125.7-121.2 145.0 5.2 14.7 -6.2 44 114 D H E -C 51 0B 105 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.709 16.8-141.5 -90.3 128.6 6.4 18.0 -7.6 45 115 D N > - 0 0 18 5,-3.0 4,-1.5 -2,-0.4 5,-0.2 -0.815 6.8-159.2 -91.1 116.2 10.1 18.7 -7.4 46 116 D P T 4 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.499 85.9 55.6 -75.8 -5.6 10.5 22.4 -6.6 47 117 D H T 4 S+ 0 0 139 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.904 122.0 19.0 -92.5 -53.5 14.1 22.4 -8.0 48 118 D D T 4 S- 0 0 61 2,-0.2 3,-0.1 0, 0.0 -1,-0.0 0.451 97.7-125.6 -98.7 -2.0 13.6 21.2 -11.6 49 119 D G < + 0 0 45 -4,-1.5 2,-0.2 1,-0.2 -5,-0.0 0.474 68.0 125.8 75.2 4.1 9.9 21.9 -11.8 50 120 D K - 0 0 108 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.3 -0.576 58.2-125.0 -99.8 155.5 9.1 18.3 -12.8 51 121 D D E -C 44 0B 64 -7,-0.2 59,-2.0 -2,-0.2 2,-0.3 -0.772 27.4-166.2 -98.7 144.0 6.7 15.7 -11.3 52 122 D Y E -CD 43 109B 33 -9,-2.5 -9,-2.6 -2,-0.3 2,-0.5 -0.954 23.1-118.3-132.3 146.4 8.0 12.3 -10.2 53 123 D L E -CD 42 108B 54 55,-3.2 54,-2.5 -2,-0.3 55,-1.2 -0.777 31.5-164.4 -83.0 126.5 6.4 9.0 -9.3 54 124 D I E -CD 41 106B 0 -13,-2.8 -13,-2.8 -2,-0.5 2,-0.6 -0.941 11.1-147.5-113.8 132.9 7.3 8.0 -5.7 55 125 D S E -CD 40 105B 9 50,-3.3 50,-2.8 -2,-0.4 2,-1.4 -0.925 9.1-152.4-101.9 116.4 6.8 4.5 -4.3 56 126 D Y E +C 39 0B 0 -17,-2.8 -17,-0.9 -2,-0.6 2,-0.2 -0.632 23.6 176.5 -91.1 75.2 6.0 4.6 -0.6 57 127 D H E -C 38 0B 36 -2,-1.4 46,-3.3 -19,-0.2 2,-0.2 -0.579 19.0-139.5 -76.4 143.3 7.3 1.3 0.6 58 128 D D E - E 0 102B 1 -21,-0.5 -23,-2.4 44,-0.2 2,-0.4 -0.592 6.8-132.0 -93.6 158.5 7.1 0.5 4.2 59 129 D f E -CE 34 101B 0 42,-2.8 41,-2.2 -25,-0.2 42,-1.4 -0.963 37.8-171.5-106.5 139.4 9.8 -1.2 6.3 60 130 D g E +CE 33 99B 0 -27,-2.5 -27,-2.7 -2,-0.4 39,-0.2 -0.726 45.0 58.8-134.6 163.1 8.2 -4.0 8.3 61 131 D G S S+ 0 0 14 37,-2.3 2,-0.3 1,-0.3 38,-0.1 0.612 88.3 81.8 90.8 10.2 8.8 -6.6 11.1 62 132 D K S S- 0 0 2 36,-0.7 -1,-0.3 -3,-0.2 3,-0.2 -0.968 85.1 -98.0-137.4 153.5 9.7 -4.2 13.9 63 133 D T - 0 0 4 -2,-0.3 556,-0.1 1,-0.2 35,-0.0 -0.182 66.5 -53.5 -69.9 167.8 7.5 -2.1 16.1 64 134 D A - 0 0 3 1,-0.1 36,-0.2 553,-0.1 -1,-0.2 -0.046 40.0-148.0 -52.0 129.3 6.7 1.5 15.4 65 135 D e - 0 0 0 35,-2.4 -1,-0.1 -3,-0.2 36,-0.1 0.881 21.2-157.1 -61.4 -43.2 9.8 3.7 15.0 66 136 D G + 0 0 19 34,-0.3 2,-0.3 1,-0.2 3,-0.3 0.389 49.9 109.1 85.6 -3.4 7.9 6.7 16.5 67 137 D R S S+ 0 0 46 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.819 74.3 7.6-114.7 147.6 10.1 9.4 14.9 68 138 D d S S- 0 0 45 -2,-0.3 -51,-2.2 -52,-0.2 2,-0.4 0.924 74.7-165.8 52.9 55.1 9.4 11.9 12.2 69 139 D Q E -A 16 0A 94 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.599 8.7-177.4 -70.5 125.6 5.7 11.2 11.8 70 140 D a E -A 15 0A 2 -55,-3.0 -55,-2.4 -2,-0.4 -64,-0.0 -0.911 21.6-176.1-120.7 152.2 4.2 12.6 8.7 71 141 D N E +A 14 0A 72 -2,-0.3 -57,-0.2 -57,-0.2 2,-0.2 -0.318 24.9 157.9-142.1 60.8 0.6 12.6 7.3 72 142 D T - 0 0 42 -59,-2.3 800,-0.1 -62,-0.3 799,-0.1 -0.591 20.1-172.7 -96.5 147.4 0.8 14.3 3.9 73 143 D Q > + 0 0 6 798,-0.4 3,-2.0 -2,-0.2 798,-0.3 0.099 17.6 157.6-135.2 20.5 -1.9 13.6 1.4 74 144 D T T 3 S- 0 0 46 -63,-2.2 -32,-0.4 1,-0.3 3,-0.1 -0.350 86.7 -12.7 -59.1 116.8 -1.0 15.2 -2.0 75 145 D R T 3 S+ 0 0 114 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.549 97.0 152.4 67.4 13.3 -3.0 13.2 -4.6 76 146 D E < - 0 0 3 -3,-2.0 -1,-0.2 9,-0.0 9,-0.2 -0.466 22.9-169.6 -73.4 141.1 -3.9 10.6 -2.1 77 147 D R - 0 0 17 7,-1.9 9,-0.2 4,-0.2 719,-0.1 -0.878 23.4 -88.2-132.4 162.3 -7.2 8.8 -2.8 78 148 D P > - 0 0 11 0, 0.0 3,-2.4 0, 0.0 6,-0.3 0.014 51.9 -85.4 -68.6-179.7 -9.5 6.3 -1.0 79 149 D G G > S+ 0 0 3 1,-0.3 3,-0.5 5,-0.1 6,-0.1 0.618 119.5 72.9 -66.9 -14.8 -9.3 2.5 -1.0 80 150 D Y G 3 S+ 0 0 9 1,-0.3 -1,-0.3 666,-0.1 2,-0.2 0.551 104.1 43.2 -75.8 -7.2 -11.4 2.2 -4.2 81 151 D E G X S- 0 0 60 -3,-2.4 3,-2.0 1,-0.1 -1,-0.3 -0.709 91.9-179.1-123.4 74.9 -8.2 3.5 -5.9 82 152 D F G X + 0 0 20 -3,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.763 66.3 51.7 -62.0 -38.7 -6.2 1.2 -3.7 83 153 D F G 3 S+ 0 0 101 1,-0.3 -43,-2.9 -44,-0.1 -1,-0.3 0.519 108.8 53.2 -83.3 0.7 -2.6 1.9 -4.7 84 154 D L G < S+ 0 0 55 -3,-2.0 -7,-1.9 -6,-0.3 2,-0.4 0.241 92.0 101.7-101.9 9.0 -3.0 5.6 -4.3 85 155 D H < + 0 0 4 -3,-1.5 3,-0.2 -9,-0.2 -9,-0.0 -0.798 43.6 179.4-107.6 133.1 -4.3 5.1 -0.8 86 156 D N + 0 0 1 -2,-0.4 4,-0.1 -9,-0.2 -1,-0.1 0.311 63.6 85.8-119.8 12.5 -2.2 5.7 2.4 87 157 D D S S+ 0 0 3 2,-0.1 612,-2.7 612,-0.1 2,-0.3 0.164 82.9 78.2 -93.3 14.6 -4.6 4.8 5.4 88 158 D V B S-H 698 0D 8 610,-0.3 2,-0.8 -3,-0.2 610,-0.3 -0.888 91.7-105.5-119.6 157.5 -3.7 1.2 5.0 89 159 D N > - 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