==== 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 27-JUL-05 2AH1 . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR L.MASGRAU,A.ROUJEINIKOVA,L.O.JOHANNISSEN,P.HOTHI,J.BASRAN, . 938 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 587 62.6 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 . 351 37.4 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 . 72 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 8.5 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 6 6 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 72 D V 0 0 89 0, 0.0 17,-0.2 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 -15.5 15.3 14.6 4.0 2 73 D N + 0 0 84 16,-0.1 2,-0.4 15,-0.1 14,-0.1 0.401 360.0 91.4 -89.6 2.7 14.2 14.2 7.7 3 74 D S S > S- 0 0 62 1,-0.1 3,-1.8 66,-0.0 6,-0.2 -0.800 77.1-133.9 -98.8 140.0 11.5 16.9 7.3 4 75 D a T 3 S+ 0 0 40 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.722 105.6 62.4 -61.6 -22.1 7.9 16.1 6.4 5 76 D D T 3 S+ 0 0 142 3,-0.1 -1,-0.3 66,-0.0 5,-0.1 0.483 70.2 122.0 -84.6 -4.6 8.1 19.0 3.9 6 77 D Y S X S- 0 0 68 -3,-1.8 3,-2.2 1,-0.1 0, 0.0 -0.389 74.6-119.6 -58.3 137.1 10.8 17.4 1.8 7 78 D W G > S+ 0 0 35 1,-0.3 3,-1.0 2,-0.1 36,-0.1 0.782 107.5 57.9 -60.1 -32.6 9.4 17.2 -1.7 8 79 D R G 3 S+ 0 0 22 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.659 96.2 65.5 -69.9 -14.6 9.6 13.4 -2.0 9 80 D H G X + 0 0 2 -3,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.095 61.5 125.0 -95.0 23.5 7.5 12.8 1.1 10 81 D b T < S+ 0 0 14 -3,-1.0 63,-2.3 1,-0.3 -1,-0.2 0.628 82.5 29.0 -67.7 -16.1 4.4 14.3 -0.4 11 82 D A T 3 S+ 0 0 2 -3,-0.4 2,-0.4 61,-0.2 -1,-0.3 0.033 86.2 136.4-129.3 28.6 2.2 11.2 0.3 12 83 D V < + 0 0 0 -3,-1.7 59,-2.8 -8,-0.2 2,-0.4 -0.642 23.7 175.3 -74.9 125.6 3.9 9.7 3.4 13 84 D D E +A 70 0A 17 -2,-0.4 2,-0.3 57,-0.2 57,-0.2 -0.901 61.0 40.3-121.3 96.9 1.7 8.5 6.2 14 85 D G E S-A 69 0A 0 55,-2.0 55,-3.0 -2,-0.4 2,-0.4 -0.989 99.8 -44.0 160.7-162.7 4.2 7.0 8.6 15 86 D F E -A 68 0A 0 -2,-0.3 86,-3.3 53,-0.2 2,-0.4 -0.878 57.7-113.0-103.2 133.4 7.6 7.5 10.1 16 87 D L B > -b 101 0B 1 51,-2.1 3,-2.1 -2,-0.4 4,-0.2 -0.481 17.7-146.9 -69.3 121.9 10.4 8.6 7.9 17 88 D c G > >S+ 0 0 1 84,-2.6 5,-2.0 -2,-0.4 3,-1.9 0.806 95.2 68.8 -59.4 -28.4 13.0 5.8 7.6 18 89 D S G 3 5S+ 0 0 18 83,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.687 101.3 47.9 -63.4 -18.1 15.8 8.3 7.3 19 90 D d G < 5S+ 0 0 14 -3,-2.1 -1,-0.3 47,-0.2 -2,-0.2 0.382 105.9 62.3 -93.5 1.0 15.1 9.2 11.0 20 91 D e T < 5S- 0 0 0 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.1 0.110 128.3 -80.0-118.9 13.6 15.0 5.6 12.0 21 92 D G T 5S+ 0 0 13 1,-0.4 210,-0.2 -3,-0.3 -3,-0.2 0.484 108.7 78.8 97.9 0.2 18.5 4.4 11.2 22 93 D G S -F 26 0C 60 3,-2.1 3,-0.8 -2,-0.1 -4,-0.1 -0.787 42.6 -82.9-134.6-178.0 17.8 6.2 4.5 24 95 D T T 3 S+ 0 0 23 -2,-0.2 79,-1.6 1,-0.2 -7,-0.1 0.724 132.7 28.2 -61.0 -22.2 15.1 7.2 2.0 25 96 D T T 3 S+ 0 0 31 77,-0.2 200,-1.3 79,-0.1 2,-0.4 0.150 114.7 65.1-124.9 14.0 16.0 4.0 0.0 26 97 D T B < S-Fg 23 225C 29 -3,-0.8 -3,-2.1 198,-0.2 200,-0.2 -0.998 75.2-124.1-138.5 138.2 17.3 1.6 2.7 27 98 D f - 0 0 1 198,-2.5 201,-0.3 -2,-0.4 3,-0.1 -0.466 35.9 -99.6 -73.0 146.3 15.6 -0.0 5.6 28 99 D P > - 0 0 1 0, 0.0 3,-2.0 0, 0.0 199,-0.2 -0.289 63.5 -72.5 -53.4 150.6 16.9 0.4 9.1 29 100 D P T 3 S+ 0 0 3 0, 0.0 237,-0.4 0, 0.0 200,-0.1 -0.177 120.7 14.9 -50.7 132.1 19.0 -2.6 10.2 30 101 D G T 3 S+ 0 0 22 198,-0.3 2,-0.4 1,-0.3 283,-0.1 0.566 99.4 111.4 80.2 9.4 16.8 -5.7 10.8 31 102 D S < - 0 0 4 -3,-2.0 196,-0.4 -4,-0.1 -1,-0.3 -0.926 61.4-132.6-114.5 146.1 13.7 -4.3 9.2 32 103 D T E -C 59 0B 76 27,-2.6 27,-2.2 -2,-0.4 67,-0.1 -0.810 14.9-118.3-106.3 129.3 12.4 -5.8 5.9 33 104 D P E -C 58 0B 34 0, 0.0 25,-0.2 0, 0.0 193,-0.1 -0.270 27.5-123.4 -57.5 143.6 11.3 -4.0 2.7 34 105 D S E - 0 0 3 23,-2.3 190,-0.1 2,-0.1 56,-0.1 -0.734 7.4-144.1 -84.0 140.1 7.7 -4.4 1.6 35 106 D P E S+ 0 0 96 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.618 85.3 49.4 -74.9 -13.3 7.4 -5.7 -1.9 36 107 D I E + 0 0 32 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.719 66.6 165.9-122.4 170.2 4.3 -3.5 -2.4 37 108 D S E -C 56 0B 11 -2,-0.2 2,-0.3 19,-0.2 19,-0.2 -0.980 37.7-100.9-169.1 163.7 3.6 0.1 -1.8 38 109 D X E -C 55 0B 5 17,-0.9 17,-3.0 -2,-0.3 2,-0.4 -0.731 41.6-134.6 -91.8 156.1 1.4 3.1 -2.3 39 110 D I E -C 54 0B 48 43,-2.6 2,-0.3 -2,-0.3 15,-0.2 -0.913 16.6-165.8-115.6 137.5 2.6 5.6 -5.0 40 111 D G E -C 53 0B 2 13,-3.0 13,-3.1 -2,-0.4 2,-0.6 -0.887 16.7-144.0-114.5 153.9 2.8 9.3 -4.9 41 112 D T E -C 52 0B 23 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.975 32.3-175.4-111.3 113.0 3.2 11.8 -7.6 42 113 D b E -C 51 0B 0 9,-2.7 9,-2.9 -2,-0.6 2,-0.5 -0.878 24.6-122.0-119.0 144.4 5.3 14.6 -6.1 43 114 D H E -C 50 0B 102 -2,-0.4 7,-0.2 7,-0.2 -33,-0.0 -0.721 17.5-141.0 -89.9 124.5 6.4 17.9 -7.5 44 115 D N > - 0 0 19 5,-3.2 4,-1.6 -2,-0.5 5,-0.3 -0.755 8.1-157.5 -84.4 116.2 10.2 18.5 -7.6 45 116 D P T 4 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.557 86.1 55.2 -74.8 -7.9 10.6 22.2 -6.6 46 117 D H T 4 S+ 0 0 159 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.932 122.9 18.0 -87.0 -55.6 14.0 22.4 -8.3 47 118 D D T 4 S- 0 0 68 2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.498 97.2-127.4 -98.5 -5.8 13.3 21.2 -11.9 48 119 D G < + 0 0 46 -4,-1.6 2,-0.2 1,-0.3 -5,-0.0 0.595 66.7 126.0 68.3 17.5 9.6 21.8 -11.7 49 120 D K - 0 0 111 -5,-0.3 -5,-3.2 -6,-0.0 2,-0.4 -0.669 59.7-120.9-101.4 158.0 8.8 18.3 -12.9 50 121 D D E -C 43 0B 69 59,-0.3 59,-2.7 -7,-0.2 2,-0.3 -0.833 29.3-164.7 -99.6 138.5 6.5 15.7 -11.2 51 122 D Y E -CD 42 108B 32 -9,-2.9 -9,-2.7 -2,-0.4 2,-0.5 -0.906 22.6-116.8-124.2 149.2 8.0 12.3 -10.2 52 123 D L E -CD 41 107B 55 55,-3.2 54,-2.8 -2,-0.3 55,-1.0 -0.747 30.8-167.9 -81.8 124.8 6.6 9.0 -9.1 53 124 D I E -CD 40 105B 0 -13,-3.1 -13,-3.0 -2,-0.5 2,-0.6 -0.964 10.2-149.4-114.7 130.6 7.6 8.1 -5.6 54 125 D S E -CD 39 104B 9 50,-3.2 50,-2.4 -2,-0.4 2,-1.5 -0.907 5.4-153.4-103.3 115.9 7.1 4.5 -4.3 55 126 D Y E +C 38 0B 0 -17,-3.0 -17,-0.9 -2,-0.6 2,-0.2 -0.595 22.8 173.9 -92.8 75.7 6.4 4.4 -0.5 56 127 D H E -C 37 0B 37 -2,-1.5 46,-2.9 -19,-0.2 2,-0.2 -0.592 22.6-135.2 -72.8 145.8 7.6 1.0 0.4 57 128 D D E - E 0 101B 0 -21,-0.5 -23,-2.3 -2,-0.2 2,-0.4 -0.555 3.9-130.1 -95.0 163.5 7.5 0.3 4.1 58 129 D f E -CE 33 100B 0 42,-2.8 41,-2.2 -25,-0.2 42,-1.5 -0.964 40.3-174.1-110.8 137.3 10.1 -1.3 6.2 59 130 D g E +CE 32 98B 0 -27,-2.2 -27,-2.6 -2,-0.4 39,-0.2 -0.723 43.2 58.0-135.1 164.2 8.6 -4.1 8.3 60 131 D G S S+ 0 0 14 37,-2.4 2,-0.3 1,-0.3 38,-0.1 0.641 87.9 83.7 85.7 12.0 9.0 -6.6 11.1 61 132 D K S S- 0 0 2 36,-0.6 -1,-0.3 -3,-0.2 3,-0.2 -0.964 85.6 -98.0-136.0 154.0 10.0 -4.2 13.8 62 133 D T - 0 0 4 -2,-0.3 545,-0.1 1,-0.2 544,-0.0 -0.159 66.4 -53.7 -69.9 167.7 7.7 -2.2 16.1 63 134 D A - 0 0 4 1,-0.1 36,-0.2 542,-0.1 -1,-0.2 -0.079 40.1-147.3 -54.1 128.0 7.0 1.5 15.3 64 135 D e - 0 0 0 35,-2.2 -1,-0.1 -3,-0.2 36,-0.1 0.882 20.3-158.1 -60.6 -41.5 10.0 3.6 14.9 65 136 D G + 0 0 16 34,-0.3 2,-0.4 1,-0.2 3,-0.3 0.413 49.9 109.8 81.8 0.1 8.2 6.6 16.4 66 137 D R S S+ 0 0 44 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.856 75.9 6.8-113.3 145.6 10.4 9.3 14.9 67 138 D d S S- 0 0 46 -2,-0.4 -51,-2.1 -52,-0.2 2,-0.3 0.927 74.1-167.3 54.7 54.8 9.6 11.8 12.1 68 139 D Q E -A 15 0A 92 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.587 9.5-178.4 -71.5 130.8 5.9 11.0 11.9 69 140 D a E -A 14 0A 3 -55,-3.0 -55,-2.0 -2,-0.3 2,-0.1 -0.932 22.5-173.8-129.1 153.8 4.4 12.6 8.7 70 141 D N E +A 13 0A 73 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.2 -0.610 24.1 155.9-148.2 80.7 0.9 12.6 7.3 71 142 D T - 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