==== 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 15-JAN-07 2OJY . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE, SMALL SUBUNIT; . 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) . 32315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 62.5 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 . 347 36.5 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 . 72 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 9.3 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 . 12 1.3 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 7 8 18 9 3 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 0 171 0, 0.0 3,-1.5 0, 0.0 6,-0.3 0.000 360.0 360.0 360.0 -53.0 15.8 18.5 5.0 2 72 D V T 3 + 0 0 56 1,-0.3 17,-0.2 4,-0.1 18,-0.1 0.691 360.0 58.8 -69.2 -18.7 15.0 14.9 4.2 3 73 D N T 3 S+ 0 0 80 16,-0.1 2,-0.4 15,-0.1 -1,-0.3 0.255 89.4 94.3 -91.8 9.6 13.8 14.3 7.8 4 74 D S S X S- 0 0 47 -3,-1.5 3,-1.7 1,-0.1 6,-0.2 -0.852 78.1-133.5-105.4 139.8 11.2 17.0 7.4 5 75 D a T 3 S+ 0 0 40 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.710 105.3 62.3 -63.1 -23.1 7.6 16.2 6.3 6 76 D D T 3 S+ 0 0 148 -5,-0.1 -1,-0.3 3,-0.0 -4,-0.1 0.503 70.8 124.2 -82.2 -7.2 7.8 19.1 3.8 7 77 D Y S X S- 0 0 38 -3,-1.7 3,-1.9 -6,-0.3 -5,-0.1 -0.318 73.2-120.2 -52.8 137.3 10.6 17.5 1.8 8 78 D W G > S+ 0 0 27 1,-0.3 3,-0.8 2,-0.1 -1,-0.1 0.779 107.4 56.1 -63.4 -31.5 9.3 17.2 -1.7 9 79 D R G 3 S+ 0 0 51 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.665 97.1 67.0 -71.9 -17.5 9.6 13.4 -2.1 10 80 D H G X + 0 0 3 -3,-1.9 3,-1.8 1,-0.2 62,-0.3 0.060 59.9 127.1 -93.4 25.1 7.4 12.8 1.0 11 81 D b T < S+ 0 0 16 -3,-0.8 63,-2.2 1,-0.3 -1,-0.2 0.644 81.6 28.5 -70.5 -15.9 4.2 14.3 -0.5 12 82 D A T 3 S+ 0 0 3 -3,-0.4 2,-0.5 61,-0.2 -1,-0.3 -0.011 84.7 137.1-128.6 33.4 2.0 11.2 0.3 13 83 D V < + 0 0 0 -3,-1.8 59,-2.7 -8,-0.2 2,-0.5 -0.683 23.1 175.5 -79.0 126.0 3.7 9.8 3.5 14 84 D D E +A 71 0A 18 -2,-0.5 2,-0.3 57,-0.3 57,-0.2 -0.907 60.7 38.4-123.5 98.1 1.4 8.7 6.2 15 85 D G E S-A 70 0A 0 55,-2.4 55,-3.3 -2,-0.5 2,-0.4 -0.993 100.9 -42.4 156.3-161.8 3.8 7.2 8.8 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.6 53,-0.3 2,-0.4 -0.898 58.1-114.4-106.9 132.5 7.3 7.7 10.3 17 87 D L B > -b 102 0B 1 51,-2.3 3,-1.9 -2,-0.4 4,-0.3 -0.502 16.3-146.0 -67.9 123.6 10.1 8.6 8.0 18 88 D c G > >S+ 0 0 1 84,-2.6 5,-1.9 -2,-0.4 3,-1.7 0.786 95.8 69.1 -59.2 -25.8 12.7 5.8 7.9 19 89 D S G 3 5S+ 0 0 18 83,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.703 100.8 47.5 -68.3 -16.8 15.5 8.3 7.5 20 90 D d G < 5S+ 0 0 16 -3,-1.9 -1,-0.3 47,-0.2 -2,-0.2 0.438 105.3 63.6 -93.4 -1.5 14.8 9.4 11.1 21 91 D e T < 5S- 0 0 0 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.2 0.114 128.2 -80.7-113.1 17.7 14.7 5.7 12.3 22 92 D G T 5S+ 0 0 12 1,-0.4 220,-0.2 -3,-0.3 -3,-0.2 0.526 108.8 85.3 91.7 6.8 18.3 4.6 11.5 23 93 D G S -F 27 0C 64 3,-2.1 3,-0.9 -2,-0.1 -4,-0.1 -0.798 42.2 -82.7-134.5-178.0 17.7 6.3 4.8 25 95 D T T 3 S+ 0 0 23 1,-0.2 79,-1.2 -2,-0.2 -7,-0.1 0.830 131.7 25.4 -57.0 -28.0 15.1 7.3 2.2 26 96 D T T 3 S+ 0 0 35 77,-0.1 210,-1.4 79,-0.1 2,-0.4 0.106 114.2 67.6-128.2 18.0 15.9 4.0 0.3 27 97 D T B < S-Fg 24 236C 28 -3,-0.9 -3,-2.1 208,-0.2 210,-0.2 -0.996 75.2-125.8-136.7 136.8 17.3 1.7 3.0 28 98 D f - 0 0 2 208,-2.6 211,-0.3 -2,-0.4 3,-0.1 -0.505 37.6 -97.5 -72.8 145.3 15.4 0.1 5.8 29 99 D P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 209,-0.2 -0.267 64.0 -72.0 -52.5 152.6 16.7 0.5 9.4 30 100 D P T 3 S+ 0 0 3 0, 0.0 247,-0.4 0, 0.0 210,-0.1 -0.201 120.7 15.6 -51.6 131.9 18.7 -2.5 10.4 31 101 D G T 3 S+ 0 0 22 208,-0.3 2,-0.3 1,-0.3 293,-0.2 0.487 99.1 110.5 82.2 3.7 16.5 -5.5 11.1 32 102 D S < - 0 0 4 -3,-2.0 206,-0.4 291,-0.1 -1,-0.3 -0.892 61.6-131.8-111.1 152.0 13.4 -4.2 9.4 33 103 D T E -C 60 0B 74 27,-2.8 27,-2.6 -2,-0.3 67,-0.1 -0.819 15.2-119.2-113.7 130.4 12.2 -5.7 6.2 34 104 D P E -C 59 0B 37 0, 0.0 25,-0.2 0, 0.0 203,-0.1 -0.318 27.7-121.3 -63.3 145.6 11.1 -3.9 3.0 35 105 D S E - 0 0 2 23,-2.4 200,-0.1 1,-0.1 56,-0.1 -0.731 8.9-146.8 -83.3 136.2 7.6 -4.3 1.8 36 106 D P E S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.614 85.4 48.7 -74.9 -9.8 7.3 -5.8 -1.7 37 107 D I E + 0 0 36 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.791 68.4 160.5-124.3 165.7 4.2 -3.7 -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 40.3 -97.1-168.8 163.2 3.4 -0.0 -1.6 39 109 D X E -C 56 0B 5 17,-0.8 17,-3.0 -2,-0.3 2,-0.3 -0.632 41.4-142.3 -82.3 160.3 1.3 2.9 -2.3 40 110 D I E -C 55 0B 45 43,-2.5 2,-0.3 -2,-0.2 15,-0.2 -0.910 14.6-168.9-123.6 151.2 2.6 5.4 -4.9 41 111 D G E -C 54 0B 3 13,-2.5 13,-2.9 -2,-0.3 2,-0.5 -0.889 20.9-136.0-127.0 163.2 2.5 9.2 -5.1 42 112 D T E -C 53 0B 35 32,-0.3 2,-0.4 -2,-0.3 11,-0.2 -0.998 33.0-174.2-113.4 123.8 3.2 11.7 -7.8 43 113 D b E -C 52 0B 0 9,-2.7 9,-2.8 -2,-0.5 2,-0.4 -0.938 23.0-122.1-123.8 144.3 5.2 14.5 -6.2 44 114 D H E -C 51 0B 93 -2,-0.4 7,-0.2 7,-0.2 -33,-0.0 -0.705 18.1-140.5 -86.4 129.9 6.4 17.8 -7.6 45 115 D N > - 0 0 17 5,-2.9 4,-1.5 -2,-0.4 5,-0.2 -0.813 6.5-158.6 -90.0 117.3 10.1 18.6 -7.6 46 116 D P T 4 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.521 85.9 54.1 -75.8 -5.6 10.6 22.3 -6.7 47 117 D H T 4 S+ 0 0 140 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.904 124.0 17.2 -92.2 -57.3 14.1 22.3 -8.3 48 118 D D T 4 S- 0 0 70 2,-0.1 3,-0.1 0, 0.0 -1,-0.0 0.495 96.3-128.9 -95.5 -4.6 13.6 21.1 -11.8 49 119 D G < + 0 0 44 -4,-1.5 2,-0.2 1,-0.2 -5,-0.0 0.583 65.3 127.0 68.6 12.2 9.8 21.6 -11.8 50 120 D K - 0 0 112 -5,-0.2 -5,-2.9 -6,-0.0 2,-0.4 -0.602 59.4-121.3 -96.2 161.2 9.1 18.1 -13.0 51 121 D D E -C 44 0B 59 -7,-0.2 59,-2.1 -2,-0.2 2,-0.4 -0.854 28.9-163.1-104.4 140.1 6.7 15.6 -11.3 52 122 D Y E -CD 43 109B 34 -9,-2.8 -9,-2.7 -2,-0.4 2,-0.4 -0.944 20.7-120.6-128.6 143.1 8.1 12.2 -10.2 53 123 D L E -CD 42 108B 58 55,-2.9 54,-2.7 -2,-0.4 55,-1.1 -0.710 30.8-166.7 -79.8 128.9 6.6 8.9 -9.2 54 124 D I E -CD 41 106B 0 -13,-2.9 -13,-2.5 -2,-0.4 2,-0.6 -0.939 12.0-147.2-117.5 138.7 7.4 7.9 -5.6 55 125 D S E -CD 40 105B 8 50,-3.6 50,-2.4 -2,-0.4 2,-1.6 -0.942 7.9-151.0-109.7 116.5 6.9 4.4 -4.2 56 126 D Y E +C 39 0B 0 -17,-3.0 -17,-0.8 -2,-0.6 48,-0.2 -0.509 25.3 175.0 -89.1 67.1 6.0 4.5 -0.5 57 127 D H E -C 38 0B 36 -2,-1.6 46,-3.1 -19,-0.2 2,-0.2 -0.456 20.2-138.7 -67.3 144.3 7.4 1.2 0.6 58 128 D D E - E 0 102B 1 -21,-0.5 -23,-2.4 32,-0.2 2,-0.4 -0.630 6.0-130.3 -96.2 162.3 7.3 0.4 4.3 59 129 D f E -CE 34 101B 0 42,-3.2 41,-2.0 -25,-0.2 42,-1.6 -0.965 39.8-172.9-107.3 136.1 9.9 -1.2 6.5 60 130 D g E +CE 33 99B 0 -27,-2.6 -27,-2.8 -2,-0.4 39,-0.2 -0.708 43.6 57.7-133.8 166.2 8.3 -4.0 8.5 61 131 D G S S+ 0 0 13 37,-2.4 2,-0.3 1,-0.3 38,-0.1 0.624 88.2 82.9 83.3 12.8 8.8 -6.6 11.3 62 132 D K S S- 0 0 2 36,-0.7 -1,-0.3 -3,-0.2 3,-0.2 -0.972 85.6 -97.6-137.3 154.0 9.8 -4.2 14.0 63 133 D T - 0 0 4 -2,-0.3 556,-0.1 1,-0.2 555,-0.0 -0.111 66.2 -53.2 -68.9 168.4 7.5 -2.1 16.3 64 134 D A - 0 0 3 1,-0.1 36,-0.2 553,-0.1 -1,-0.2 -0.086 39.3-148.3 -54.4 127.4 6.7 1.5 15.6 65 135 D e - 0 0 0 35,-2.4 -1,-0.1 -3,-0.2 36,-0.1 0.887 19.9-158.7 -59.4 -42.8 9.7 3.8 15.1 66 136 D G + 0 0 17 34,-0.3 2,-0.3 1,-0.2 3,-0.2 0.492 49.9 109.1 80.6 4.9 7.8 6.8 16.6 67 137 D R S S+ 0 0 45 1,-0.2 -50,-0.3 -50,-0.1 -1,-0.2 -0.880 74.0 9.1-116.9 146.6 10.0 9.5 15.0 68 138 D d S S- 0 0 44 -2,-0.3 -51,-2.3 -52,-0.2 2,-0.5 0.954 75.1-165.1 55.7 56.1 9.3 12.0 12.2 69 139 D Q E -A 16 0A 97 -53,-0.2 2,-0.3 -3,-0.2 -53,-0.3 -0.635 10.4-178.6 -72.7 124.5 5.6 11.2 12.0 70 140 D a E -A 15 0A 2 -55,-3.3 -55,-2.4 -2,-0.5 -64,-0.0 -0.911 23.4-176.5-121.5 154.1 4.1 12.6 8.7 71 141 D N E +A 14 0A 71 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.3 -0.409 24.1 158.3-143.4 65.9 0.6 12.7 7.3 72 142 D T - 0 0 40 -59,-2.7 800,-0.1 -62,-0.3 799,-0.1 -0.685 18.9-172.6 -98.4 149.3 0.8 14.3 3.9 73 143 D Q > + 0 0 6 798,-0.4 3,-1.6 -2,-0.3 798,-0.3 0.073 18.3 155.8-134.8 22.7 -1.9 13.6 1.4 74 144 D T T 3 S- 0 0 34 -63,-2.2 -32,-0.3 1,-0.3 3,-0.1 -0.405 86.6 -11.9 -64.4 122.0 -1.0 15.1 -2.1 75 145 D R T 3 S+ 0 0 91 -2,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.498 98.1 150.3 66.4 5.8 -2.9 13.1 -4.8 76 146 D E < - 0 0 2 -3,-1.6 -1,-0.2 9,-0.0 9,-0.2 -0.447 23.6-171.4 -69.4 141.8 -3.9 10.5 -2.2 77 147 D R - 0 0 22 7,-1.3 9,-0.2 4,-0.3 719,-0.1 -0.885 24.6 -86.3-134.4 162.1 -7.2 8.7 -2.8 78 148 D P > - 0 0 11 0, 0.0 3,-2.5 0, 0.0 6,-0.3 0.062 53.2 -86.4 -67.8-180.0 -9.5 6.3 -0.9 79 149 D G G > S+ 0 0 2 1,-0.3 3,-0.5 5,-0.1 684,-0.1 0.583 119.3 74.6 -72.9 -9.1 -9.2 2.5 -0.9 80 150 D Y G 3 S+ 0 0 9 1,-0.3 -1,-0.3 666,-0.1 2,-0.2 0.553 104.5 40.7 -75.6 -9.2 -11.3 2.2 -4.1 81 151 D E G X S+ 0 0 71 -3,-2.5 3,-1.9 1,-0.1 -1,-0.3 -0.684 92.0 178.9-125.2 76.7 -8.2 3.4 -5.9 82 152 D F G X + 0 0 17 -3,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.763 65.1 55.2 -66.5 -36.1 -6.1 1.2 -3.6 83 153 D F G 3 S+ 0 0 106 1,-0.3 -43,-2.5 -44,-0.1 -1,-0.3 0.544 108.3 51.1 -80.9 -2.2 -2.5 1.8 -4.7 84 154 D L G < S+ 0 0 54 -3,-1.9 -7,-1.3 -6,-0.3 2,-0.4 0.301 92.5 103.6-101.1 3.7 -2.9 5.6 -4.2 85 155 D H < + 0 0 3 -3,-1.7 3,-0.2 -9,-0.2 -9,-0.0 -0.724 42.7 179.7-101.3 133.6 -4.2 5.1 -0.7 86 156 D N + 0 0 1 -2,-0.4 4,-0.1 -9,-0.2 -1,-0.1 0.256 62.2 85.4-121.6 15.8 -2.2 5.7 2.5 87 157 D D S S+ 0 0 5 2,-0.1 612,-2.4 612,-0.1 2,-0.3 0.120 82.7 78.0 -97.8 18.5 -4.5 4.9 5.4 88 158 D V B S-H 698 0D 9 610,-0.2 2,-0.8 -3,-0.2 610,-0.3 -0.864 91.7-102.2-119.1 163.8 -3.6 1.2 5.2 89 159 D N > - 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