==== 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 2AH0 . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR L.MASGRAU,A.ROUJEINIKOVA,L.O.JOHANNISSEN,P.HOTHI,J.BASRAN, . 939 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 63.4 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 . 347 37.0 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 . 73 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 9.1 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 . 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 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 . 9 5 8 5 20 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 0 171 0, 0.0 3,-1.5 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -21.2 16.3 18.4 4.9 2 72 D V T 3 + 0 0 51 1,-0.3 17,-0.2 4,-0.1 18,-0.1 0.668 360.0 63.8 -69.4 -16.7 15.2 14.8 4.2 3 73 D N T 3 S+ 0 0 85 16,-0.1 2,-0.4 15,-0.1 -1,-0.3 0.409 86.7 92.2 -86.4 3.5 14.1 14.4 7.8 4 74 D S S X S- 0 0 50 -3,-1.5 3,-1.7 1,-0.1 6,-0.1 -0.777 76.6-134.7-101.1 141.1 11.4 17.1 7.4 5 75 D a T 3 S+ 0 0 41 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.781 105.7 63.4 -59.8 -24.9 7.8 16.3 6.5 6 76 D D T 3 S+ 0 0 147 -5,-0.1 -1,-0.3 3,-0.1 -4,-0.1 0.505 70.7 121.3 -77.9 -10.9 8.0 19.2 4.1 7 77 D Y S X S- 0 0 30 -3,-1.7 3,-2.1 -6,-0.2 -5,-0.1 -0.358 72.4-123.0 -59.1 136.0 10.7 17.6 2.0 8 78 D W G > S+ 0 0 30 1,-0.3 3,-0.9 2,-0.1 -1,-0.1 0.786 105.9 57.0 -57.5 -35.3 9.3 17.3 -1.5 9 79 D R G 3 S+ 0 0 54 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.621 98.0 65.4 -71.5 -13.0 9.7 13.5 -2.0 10 80 D H G X + 0 0 2 -3,-2.1 3,-1.7 1,-0.2 62,-0.3 0.060 61.7 125.5 -95.8 24.9 7.5 12.9 1.1 11 81 D b T < S+ 0 0 15 -3,-0.9 63,-2.2 1,-0.3 -1,-0.2 0.632 82.3 28.2 -70.2 -14.5 4.4 14.4 -0.3 12 82 D A T 3 S+ 0 0 2 -3,-0.3 2,-0.4 61,-0.2 -1,-0.3 0.026 85.8 135.9-130.5 30.6 2.2 11.3 0.4 13 83 D V < + 0 0 0 -3,-1.7 59,-2.6 -8,-0.2 2,-0.4 -0.663 24.6 177.0 -74.9 127.9 3.9 9.8 3.4 14 84 D D E +A 71 0A 17 -2,-0.4 2,-0.3 57,-0.2 57,-0.2 -0.896 60.7 35.9-124.9 97.8 1.6 8.6 6.2 15 85 D G E S-A 70 0A 0 55,-2.1 55,-3.1 -2,-0.4 2,-0.4 -0.968 101.5 -37.7 154.1-165.4 4.1 7.1 8.8 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.3 53,-0.2 2,-0.4 -0.773 58.6-113.9 -95.9 133.3 7.6 7.6 10.2 17 87 D L B > -b 102 0B 1 51,-2.1 3,-2.2 -2,-0.4 4,-0.2 -0.491 17.8-145.5 -67.5 120.7 10.4 8.7 7.9 18 88 D c G > >S+ 0 0 1 84,-2.5 5,-2.1 -2,-0.4 3,-1.7 0.788 95.9 68.9 -55.6 -27.0 12.9 5.9 7.7 19 89 D S G 3 5S+ 0 0 20 83,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.662 100.9 47.0 -68.5 -15.2 15.7 8.4 7.5 20 90 D d G < 5S+ 0 0 14 -3,-2.2 -1,-0.3 47,-0.2 -2,-0.2 0.378 105.9 63.5 -96.7 -0.0 15.1 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 0.097 127.7 -81.2-116.5 16.9 15.0 5.7 12.1 22 92 D G T 5S+ 0 0 13 1,-0.4 209,-0.2 241,-0.3 -3,-0.2 0.482 108.8 82.6 93.6 1.4 18.5 4.5 11.4 23 93 D G S -F 27 0C 64 3,-2.0 3,-0.9 -2,-0.1 -4,-0.1 -0.794 41.5 -83.1-133.0-178.0 17.8 6.4 4.7 25 95 D T T 3 S+ 0 0 28 -2,-0.2 79,-1.8 1,-0.2 -7,-0.1 0.745 132.1 27.4 -56.4 -23.1 15.1 7.5 2.2 26 96 D T T 3 S+ 0 0 30 77,-0.2 199,-1.1 79,-0.1 2,-0.4 0.178 114.9 65.1-128.2 13.1 15.9 4.3 0.2 27 97 D T B < S-Fg 24 225C 29 -3,-0.9 -3,-2.0 197,-0.2 199,-0.2 -1.000 74.6-122.3-139.7 142.2 17.1 1.8 2.8 28 98 D f - 0 0 2 197,-2.3 200,-0.3 -2,-0.4 3,-0.1 -0.496 37.4-100.8 -76.3 146.3 15.4 0.1 5.7 29 99 D P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 198,-0.2 -0.280 62.8 -70.0 -55.0 152.3 16.9 0.5 9.2 30 100 D P T 3 S+ 0 0 4 0, 0.0 236,-0.4 0, 0.0 199,-0.1 -0.157 121.4 14.5 -49.5 132.3 18.9 -2.5 10.2 31 101 D G T 3 S+ 0 0 22 197,-0.3 2,-0.3 1,-0.3 282,-0.1 0.534 99.8 110.3 79.2 8.6 16.7 -5.6 10.9 32 102 D S < - 0 0 4 -3,-2.0 195,-0.4 -4,-0.1 -1,-0.3 -0.912 61.2-134.9-113.8 148.4 13.6 -4.2 9.2 33 103 D T E -C 60 0B 78 27,-2.7 27,-2.4 -2,-0.3 67,-0.1 -0.834 15.3-118.2-109.1 132.8 12.4 -5.7 5.9 34 104 D P E -C 59 0B 34 0, 0.0 25,-0.2 0, 0.0 192,-0.1 -0.353 26.7-120.3 -63.8 144.6 11.2 -3.8 2.8 35 105 D S E - 0 0 3 23,-2.4 189,-0.1 1,-0.1 56,-0.1 -0.685 9.0-146.1 -79.9 137.0 7.6 -4.3 1.6 36 106 D P E S+ 0 0 98 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.684 86.1 50.6 -73.4 -17.8 7.4 -5.6 -2.0 37 107 D I E + 0 0 35 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.693 68.1 162.7-117.3 164.5 4.3 -3.5 -2.5 38 108 D S E -C 57 0B 11 -2,-0.2 2,-0.2 19,-0.2 19,-0.2 -0.984 39.1-100.1-166.7 163.0 3.6 0.2 -1.8 39 109 D X E -C 56 0B 4 17,-0.8 17,-2.9 -2,-0.3 2,-0.4 -0.640 40.4-138.1 -85.8 158.9 1.4 3.1 -2.4 40 110 D I E -C 55 0B 49 43,-2.6 2,-0.3 -2,-0.2 15,-0.2 -0.939 15.2-166.3-122.0 140.7 2.7 5.6 -5.0 41 111 D G E -C 54 0B 3 13,-2.8 13,-2.9 -2,-0.4 2,-0.6 -0.881 17.6-138.6-122.5 156.8 2.6 9.4 -4.8 42 112 D T E -C 53 0B 28 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.978 31.8-174.0-113.7 113.9 3.2 12.0 -7.5 43 113 D b E -C 52 0B 1 9,-2.7 9,-2.5 -2,-0.6 2,-0.5 -0.885 23.5-123.1-118.3 144.5 5.3 14.8 -6.0 44 114 D H E -C 51 0B 106 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.699 18.1-140.8 -89.3 125.2 6.4 18.2 -7.4 45 115 D N > - 0 0 19 5,-3.0 4,-1.7 -2,-0.5 5,-0.1 -0.744 7.4-157.0 -84.0 117.4 10.2 18.8 -7.5 46 116 D P T 4 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.520 86.5 54.3 -76.4 -4.9 10.6 22.5 -6.5 47 117 D H T 4 S+ 0 0 144 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.906 122.5 18.9 -93.8 -54.7 14.0 22.7 -8.3 48 118 D D T 4 S- 0 0 64 2,-0.2 3,-0.1 0, 0.0 -1,-0.0 0.474 96.9-126.4 -99.7 -4.7 13.3 21.5 -11.8 49 119 D G < + 0 0 45 -4,-1.7 2,-0.2 1,-0.2 -5,-0.0 0.442 67.7 123.3 79.1 3.3 9.5 22.1 -11.7 50 120 D K - 0 0 107 -5,-0.1 -5,-3.0 -6,-0.1 2,-0.4 -0.540 60.4-118.9 -98.7 158.7 8.7 18.5 -12.8 51 121 D D E -C 44 0B 79 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.790 28.3-165.7 -99.8 141.3 6.5 15.8 -11.2 52 122 D Y E -C 43 0B 37 -9,-2.5 -9,-2.7 -2,-0.4 2,-0.5 -0.941 22.7-119.1-128.6 146.0 8.0 12.5 -10.1 53 123 D L E -CD 42 108B 65 55,-3.2 54,-2.7 -2,-0.3 55,-1.0 -0.747 30.4-167.6 -81.7 127.5 6.6 9.2 -9.1 54 124 D I E -CD 41 106B 0 -13,-2.9 -13,-2.8 -2,-0.5 2,-0.6 -0.974 10.4-147.3-117.6 129.7 7.6 8.2 -5.6 55 125 D S E -CD 40 105B 7 50,-3.3 50,-2.7 -2,-0.4 2,-1.2 -0.876 5.2-152.4-101.0 122.8 7.1 4.7 -4.3 56 126 D Y E +C 39 0B 0 -17,-2.9 -17,-0.8 -2,-0.6 2,-0.3 -0.615 21.6 175.9 -98.0 75.4 6.3 4.5 -0.5 57 127 D H E -C 38 0B 38 -2,-1.2 46,-3.0 -19,-0.2 2,-0.2 -0.605 22.0-136.0 -74.4 137.3 7.6 1.1 0.5 58 128 D D E - E 0 102B 1 -21,-0.5 -23,-2.4 -2,-0.3 2,-0.4 -0.503 4.7-130.0 -87.1 160.0 7.4 0.4 4.1 59 129 D f E -CE 34 101B 0 42,-3.1 41,-2.4 -25,-0.2 42,-1.5 -0.960 39.2-173.6-109.3 136.8 10.0 -1.2 6.3 60 130 D g E +CE 33 99B 0 -27,-2.4 -27,-2.7 -2,-0.4 39,-0.2 -0.756 43.1 57.3-134.0 164.8 8.5 -4.0 8.3 61 131 D G S S+ 0 0 15 37,-2.2 2,-0.3 1,-0.3 38,-0.1 0.596 88.4 81.9 85.4 12.0 9.0 -6.6 11.1 62 132 D K S S- 0 0 2 36,-0.6 -1,-0.3 -3,-0.2 3,-0.2 -0.974 85.5 -97.0-139.1 153.8 9.9 -4.2 13.9 63 133 D T - 0 0 4 -2,-0.3 545,-0.1 1,-0.2 544,-0.0 -0.156 66.1 -53.4 -69.6 168.8 7.7 -2.1 16.1 64 134 D A - 0 0 3 1,-0.1 36,-0.2 542,-0.1 -1,-0.2 -0.007 40.5-148.3 -50.9 128.9 6.9 1.5 15.4 65 135 D e - 0 0 0 35,-2.2 -1,-0.1 -3,-0.2 36,-0.1 0.908 19.8-157.8 -62.3 -44.4 10.0 3.7 15.0 66 136 D G + 0 0 16 34,-0.3 2,-0.3 1,-0.2 3,-0.3 0.383 49.4 111.3 87.4 -4.1 8.1 6.7 16.5 67 137 D R S S+ 0 0 43 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.803 75.8 4.1-109.2 143.9 10.3 9.4 15.0 68 138 D d S S- 0 0 46 -2,-0.3 -51,-2.1 -52,-0.2 2,-0.3 0.922 74.7-164.9 55.3 52.4 9.5 11.9 12.3 69 139 D Q E -A 16 0A 93 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.570 9.6-174.8 -66.4 128.3 5.8 11.1 12.0 70 140 D a E -A 15 0A 2 -55,-3.1 -55,-2.1 -2,-0.3 -66,-0.0 -0.933 23.2-175.6-125.0 152.0 4.3 12.6 8.8 71 141 D N E +A 14 0A 72 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.2 -0.431 24.6 156.9-143.0 65.8 0.8 12.7 7.4 72 142 D T - 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