==== 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 2HKR . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE, SMALL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,D.LEYS . 952 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 63.1 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 . 348 36.6 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 . 74 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 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 . 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 . 8 4 6 9 19 8 2 0 3 1 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 6 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 0 175 0, 0.0 3,-1.3 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -27.7 15.9 18.5 5.0 2 72 D V T 3 + 0 0 48 1,-0.3 17,-0.2 4,-0.1 18,-0.1 0.706 360.0 60.6 -71.0 -18.4 15.1 14.9 4.2 3 73 D N T 3 S+ 0 0 81 16,-0.1 2,-0.4 15,-0.1 -1,-0.3 0.383 88.1 93.6 -88.9 3.9 14.0 14.4 7.8 4 74 D S S X S- 0 0 52 -3,-1.3 3,-1.8 1,-0.1 6,-0.2 -0.794 76.9-134.9 -96.9 139.5 11.3 17.0 7.4 5 75 D a T 3 S+ 0 0 39 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.715 105.4 62.9 -61.0 -21.7 7.7 16.1 6.4 6 76 D D T 3 S+ 0 0 144 -5,-0.1 -1,-0.3 3,-0.1 -4,-0.1 0.483 70.1 122.3 -86.0 -3.5 7.9 19.1 3.9 7 77 D Y S X S- 0 0 33 -3,-1.8 3,-2.1 -6,-0.2 -5,-0.1 -0.403 74.0-120.7 -57.9 135.4 10.7 17.5 1.9 8 78 D W G > S+ 0 0 26 1,-0.3 3,-0.8 2,-0.1 -1,-0.1 0.763 107.2 57.2 -59.2 -31.8 9.3 17.2 -1.6 9 79 D R G 3 S+ 0 0 51 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.651 97.2 65.4 -74.1 -13.5 9.6 13.4 -2.0 10 80 D H G X + 0 0 3 -3,-2.1 3,-1.6 1,-0.2 62,-0.3 0.048 61.5 126.2 -95.6 26.7 7.5 12.8 1.1 11 81 D b T < S+ 0 0 16 -3,-0.8 63,-2.2 1,-0.3 -1,-0.2 0.662 81.6 28.6 -70.7 -15.3 4.3 14.3 -0.3 12 82 D A T 3 S+ 0 0 2 -3,-0.3 2,-0.5 61,-0.2 -1,-0.3 -0.009 85.4 136.9-130.4 32.6 2.1 11.2 0.4 13 83 D V < + 0 0 0 -3,-1.6 59,-2.4 -8,-0.2 2,-0.5 -0.701 24.4 176.9 -80.1 125.5 3.8 9.7 3.5 14 84 D D E +A 71 0A 20 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.956 61.1 36.1-118.6 98.8 1.6 8.5 6.3 15 85 D G E S-A 70 0A 0 55,-2.3 55,-3.0 -2,-0.5 2,-0.4 -0.969 101.0 -39.5 155.8-162.8 4.0 7.1 8.8 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.4 53,-0.2 2,-0.4 -0.835 57.6-114.8 -99.3 131.2 7.5 7.6 10.2 17 87 D L B > -b 102 0B 1 51,-2.1 3,-2.1 -2,-0.4 4,-0.2 -0.494 17.1-145.5 -66.2 121.9 10.3 8.7 7.9 18 88 D c G > >S+ 0 0 2 84,-2.4 5,-2.0 -2,-0.4 3,-1.8 0.765 95.8 69.7 -59.4 -26.0 12.8 5.8 7.8 19 89 D S G 3 5S+ 0 0 18 83,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.682 100.5 47.4 -66.5 -17.1 15.6 8.4 7.5 20 90 D d G < 5S+ 0 0 15 -3,-2.1 -1,-0.3 47,-0.2 -2,-0.2 0.373 106.4 62.6 -93.5 0.7 14.9 9.4 11.1 21 91 D e T < 5S- 0 0 0 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.1 0.118 127.8 -80.8-120.3 17.0 14.9 5.7 12.2 22 92 D G T 5S+ 0 0 13 1,-0.4 222,-0.2 254,-0.3 -3,-0.2 0.506 109.2 82.1 91.0 4.8 18.4 4.5 11.4 23 93 D G S -F 27 0C 63 3,-2.0 3,-0.8 -2,-0.1 -6,-0.1 -0.784 41.6 -80.9-137.7-175.0 17.7 6.4 4.8 25 95 D T T 3 S+ 0 0 27 -2,-0.2 79,-1.7 1,-0.2 -7,-0.1 0.764 132.1 26.6 -60.6 -25.1 15.1 7.5 2.2 26 96 D T T 3 S+ 0 0 36 77,-0.2 212,-1.3 79,-0.1 2,-0.4 0.158 115.1 66.3-125.6 12.9 15.9 4.3 0.2 27 97 D T B < S-Fg 24 238C 28 -3,-0.8 -3,-2.0 210,-0.2 212,-0.2 -0.999 74.0-123.7-139.6 141.3 17.1 1.9 2.8 28 98 D f - 0 0 1 210,-2.4 213,-0.3 -2,-0.4 3,-0.1 -0.525 37.8-100.9 -77.2 144.8 15.4 0.2 5.7 29 99 D P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 211,-0.2 -0.277 62.5 -70.5 -53.9 152.2 16.8 0.6 9.2 30 100 D P T 3 S+ 0 0 3 0, 0.0 249,-0.4 0, 0.0 212,-0.1 -0.176 121.3 14.9 -49.7 132.7 18.8 -2.5 10.3 31 101 D G T 3 S+ 0 0 22 210,-0.3 2,-0.3 1,-0.3 295,-0.1 0.518 99.5 111.1 80.9 6.2 16.6 -5.5 11.0 32 102 D S < - 0 0 4 -3,-2.0 208,-0.4 293,-0.1 -1,-0.3 -0.899 61.1-134.4-112.1 147.0 13.5 -4.2 9.2 33 103 D T E -C 60 0B 77 27,-2.6 27,-2.3 -2,-0.3 67,-0.1 -0.842 15.2-117.9-109.9 130.8 12.3 -5.7 6.0 34 104 D P E -C 59 0B 34 0, 0.0 25,-0.2 0, 0.0 205,-0.1 -0.285 27.4-120.7 -61.3 145.2 11.1 -3.8 2.9 35 105 D S E - 0 0 2 23,-2.4 202,-0.1 1,-0.1 56,-0.1 -0.708 9.5-146.2 -79.7 138.2 7.6 -4.3 1.7 36 106 D P E S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.623 85.6 48.6 -76.1 -12.6 7.3 -5.7 -1.8 37 107 D I E + 0 0 35 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.786 68.5 163.0-125.0 161.9 4.2 -3.6 -2.3 38 108 D S E -C 57 0B 11 -2,-0.3 2,-0.2 19,-0.1 19,-0.2 -0.987 38.8 -99.8-164.7 164.4 3.5 0.1 -1.7 39 109 D X E -C 56 0B 5 17,-0.8 17,-3.0 -2,-0.3 2,-0.4 -0.638 40.8-137.2 -87.4 159.9 1.2 3.0 -2.3 40 110 D I E -C 55 0B 47 43,-2.4 2,-0.3 -2,-0.2 15,-0.2 -0.930 15.2-164.9-121.6 142.2 2.5 5.5 -4.9 41 111 D G E -C 54 0B 3 13,-3.0 13,-2.8 -2,-0.4 2,-0.5 -0.875 17.2-139.6-121.8 155.3 2.5 9.3 -4.8 42 112 D T E -C 53 0B 34 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.983 32.2-176.0-111.7 114.5 3.0 11.9 -7.5 43 113 D b E -C 52 0B 0 9,-2.7 9,-2.7 -2,-0.5 2,-0.5 -0.915 24.7-122.6-119.0 145.6 5.2 14.7 -6.0 44 114 D H E -C 51 0B 93 -2,-0.4 7,-0.2 7,-0.2 6,-0.0 -0.683 18.8-139.4 -89.5 126.1 6.3 18.0 -7.4 45 115 D N > - 0 0 16 5,-3.0 4,-1.6 -2,-0.5 5,-0.2 -0.760 7.3-155.9 -86.5 118.2 10.0 18.6 -7.6 46 116 D P T 4 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.480 87.2 53.3 -75.7 -6.2 10.6 22.3 -6.5 47 117 D H T 4 S+ 0 0 144 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.898 123.2 18.2 -92.0 -57.5 13.9 22.4 -8.4 48 118 D D T 4 S- 0 0 67 2,-0.2 3,-0.1 0, 0.0 -4,-0.0 0.469 95.9-126.8 -97.4 -4.7 13.2 21.3 -11.9 49 119 D G < + 0 0 45 -4,-1.6 2,-0.2 1,-0.2 -5,-0.0 0.552 66.4 128.1 72.4 10.4 9.5 21.8 -11.7 50 120 D K - 0 0 104 -5,-0.2 -5,-3.0 -6,-0.0 2,-0.4 -0.619 58.6-121.2 -97.3 154.6 8.7 18.3 -12.9 51 121 D D E -C 44 0B 62 -7,-0.2 59,-2.7 -2,-0.2 2,-0.4 -0.789 29.3-164.8 -95.0 139.5 6.4 15.7 -11.2 52 122 D Y E -CD 43 109B 35 -9,-2.7 -9,-2.7 -2,-0.4 2,-0.5 -0.944 22.1-120.0-127.2 145.5 7.8 12.4 -10.1 53 123 D L E -CD 42 108B 56 55,-3.0 54,-2.8 -2,-0.4 55,-1.2 -0.757 29.8-167.2 -81.5 125.3 6.4 9.0 -9.1 54 124 D I E -CD 41 106B 0 -13,-2.8 -13,-3.0 -2,-0.5 2,-0.6 -0.968 10.5-147.7-115.8 128.0 7.5 8.1 -5.5 55 125 D S E -CD 40 105B 8 50,-3.2 50,-2.5 -2,-0.4 2,-1.3 -0.882 6.4-152.2 -99.5 119.4 6.9 4.6 -4.2 56 126 D Y E +C 39 0B 0 -17,-3.0 -17,-0.8 -2,-0.6 2,-0.2 -0.600 22.4 175.4 -96.0 73.5 6.2 4.5 -0.5 57 127 D H E -C 38 0B 39 -2,-1.3 46,-3.0 -19,-0.2 2,-0.2 -0.552 21.0-137.7 -70.9 141.2 7.5 1.1 0.5 58 128 D D E - E 0 102B 1 -21,-0.5 -23,-2.4 44,-0.2 2,-0.4 -0.528 5.1-129.2 -93.2 161.8 7.3 0.4 4.2 59 129 D f E -CE 34 101B 0 42,-2.9 41,-2.3 -25,-0.2 42,-1.4 -0.970 39.0-173.3-109.4 137.3 9.9 -1.2 6.4 60 130 D g E +CE 33 99B 0 -27,-2.3 -27,-2.6 -2,-0.4 39,-0.2 -0.749 44.4 58.2-133.6 165.1 8.4 -4.0 8.4 61 131 D G S S+ 0 0 14 37,-2.4 2,-0.3 1,-0.3 38,-0.1 0.616 88.4 83.5 85.7 11.0 8.9 -6.5 11.2 62 132 D K S S- 0 0 1 36,-0.7 -1,-0.3 -3,-0.2 3,-0.2 -0.967 84.6 -98.8-136.8 153.3 9.8 -4.1 13.9 63 133 D T - 0 0 4 -2,-0.3 558,-0.1 1,-0.2 557,-0.0 -0.158 66.1 -53.2 -71.0 167.6 7.6 -2.0 16.2 64 134 D A - 0 0 3 1,-0.1 36,-0.2 555,-0.1 -1,-0.2 -0.046 40.5-148.3 -52.6 129.3 6.8 1.6 15.5 65 135 D e - 0 0 0 35,-2.3 -1,-0.1 -3,-0.2 36,-0.1 0.896 19.8-158.7 -62.2 -44.0 9.8 3.8 15.0 66 136 D G + 0 0 16 34,-0.3 2,-0.3 1,-0.2 3,-0.3 0.398 49.8 109.6 85.4 -3.9 8.0 6.8 16.5 67 137 D R S S+ 0 0 44 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.830 76.0 6.9-111.0 144.8 10.2 9.5 15.0 68 138 D d S S- 0 0 44 -2,-0.3 -51,-2.1 -52,-0.2 2,-0.4 0.935 75.4-166.9 55.6 52.8 9.4 12.0 12.2 69 139 D Q E -A 16 0A 94 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.610 9.3-179.4 -69.7 130.0 5.7 11.1 11.9 70 140 D a E -A 15 0A 3 -55,-3.0 -55,-2.3 -2,-0.4 -64,-0.0 -0.909 24.3-174.8-129.6 155.3 4.2 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 -0.378 25.3 159.2-146.8 60.1 0.7 12.6 7.3 72 142 D T - 0 0 33 -59,-2.4 802,-0.1 -62,-0.3 801,-0.1 -0.653 18.8-172.3 -93.8 146.4 0.9 14.3 3.9 73 143 D Q > + 0 0 7 800,-0.4 3,-1.8 -2,-0.3 800,-0.3 0.076 17.9 156.9-134.6 23.8 -1.8 13.6 1.4 74 144 D T T 3 S- 0 0 41 -63,-2.2 -32,-0.4 1,-0.3 3,-0.1 -0.380 86.6 -12.2 -61.1 118.4 -0.9 15.1 -2.0 75 145 D R T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -2,-0.2 2,-0.2 0.500 97.4 151.9 66.9 11.6 -2.8 13.2 -4.7 76 146 D E < - 0 0 3 -3,-1.8 -1,-0.2 -34,-0.0 9,-0.2 -0.454 23.5-168.6 -71.7 140.5 -3.8 10.5 -2.2 77 147 D R - 0 0 23 7,-1.5 9,-0.2 4,-0.3 721,-0.1 -0.847 23.2 -89.4-132.3 160.2 -7.0 8.7 -2.8 78 148 D P > - 0 0 10 0, 0.0 3,-2.5 0, 0.0 6,-0.3 -0.003 52.2 -85.3 -69.0 178.8 -9.3 6.3 -0.9 79 149 D G T 3 S+ 0 0 3 1,-0.3 3,-0.5 5,-0.1 6,-0.1 0.621 120.1 72.6 -68.8 -12.2 -9.1 2.5 -0.9 80 150 D Y T 3 S+ 0 0 8 1,-0.3 -1,-0.3 668,-0.1 2,-0.2 0.544 103.7 44.5 -75.5 -6.4 -11.2 2.1 -4.1 81 151 D E S X S+ 0 0 42 -3,-2.5 3,-2.3 1,-0.1 -1,-0.3 -0.695 91.2 179.5-121.5 73.2 -8.0 3.4 -5.8 82 152 D F G > + 0 0 20 -3,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.782 67.0 50.4 -60.7 -40.8 -6.0 1.1 -3.6 83 153 D F G 3 S+ 0 0 101 1,-0.3 -43,-2.4 -44,-0.1 -1,-0.3 0.449 109.7 53.0 -82.8 4.4 -2.4 1.8 -4.7 84 154 D L G < S+ 0 0 61 -3,-2.3 -7,-1.5 -6,-0.3 2,-0.4 0.306 92.4 100.7-104.6 7.1 -2.9 5.5 -4.3 85 155 D H < - 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