==== 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 07-JUN-07 2Q7Q . COMPND 2 MOLECULE: ARALKYLAMINE DEHYDROGENASE LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR A.ROUJEINIKOVA,D.LEYS . 945 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32546.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 349 36.9 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 . 67 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 . 3 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 6 21 8 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 2 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 0 173 0, 0.0 3,-1.4 0, 0.0 6,-0.3 0.000 360.0 360.0 360.0 -40.8 22.8 -2.8 43.1 2 72 D V T 3 + 0 0 39 1,-0.3 17,-0.2 4,-0.1 5,-0.1 0.716 360.0 58.1 -74.0 -20.0 21.8 0.9 43.1 3 73 D N T 3 S+ 0 0 85 16,-0.1 2,-0.3 15,-0.1 -1,-0.3 0.436 89.8 95.4 -84.6 -2.6 25.1 1.9 41.4 4 74 D S S X S- 0 0 52 -3,-1.4 3,-1.6 1,-0.1 6,-0.2 -0.732 76.1-136.4 -90.0 140.4 24.3 -0.4 38.5 5 75 D a T 3 S+ 0 0 40 -2,-0.3 8,-0.2 1,-0.3 -1,-0.1 0.749 105.4 62.9 -63.5 -23.4 22.7 0.9 35.3 6 76 D D T 3 S+ 0 0 148 -5,-0.1 -1,-0.3 3,-0.1 -4,-0.1 0.525 70.6 122.7 -80.3 -7.0 20.4 -2.2 35.4 7 77 D Y S X S- 0 0 34 -3,-1.6 3,-2.2 -6,-0.3 -5,-0.1 -0.360 73.6-122.0 -53.1 131.0 18.9 -1.1 38.7 8 78 D W G > S+ 0 0 24 1,-0.3 3,-1.0 2,-0.1 -1,-0.1 0.798 106.9 56.3 -55.6 -35.6 15.2 -1.0 38.0 9 79 D R G 3 S+ 0 0 69 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.668 96.6 66.0 -69.7 -17.5 14.7 2.7 39.0 10 80 D H G X + 0 0 2 -3,-2.2 3,-1.7 1,-0.2 62,-0.3 0.124 63.0 124.8 -90.4 24.2 17.4 3.9 36.5 11 81 D b T < S+ 0 0 12 -3,-1.0 63,-2.1 1,-0.3 -1,-0.2 0.612 80.2 30.2 -69.0 -14.4 15.3 2.8 33.5 12 82 D A T 3 S+ 0 0 2 -3,-0.4 2,-0.5 61,-0.2 -1,-0.3 -0.102 85.5 134.6-131.2 35.1 15.4 6.3 31.8 13 83 D V < + 0 0 0 -3,-1.7 59,-2.2 -8,-0.2 2,-0.5 -0.785 24.7 174.9 -84.9 126.2 18.7 7.7 33.0 14 84 D D E +A 71 0A 16 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.895 62.4 40.4-122.9 89.7 21.0 9.4 30.4 15 85 D G E S-A 70 0A 0 55,-1.9 55,-3.0 -2,-0.5 2,-0.4 -0.981 98.9 -43.0 165.0-163.9 23.7 10.6 32.7 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.2 53,-0.2 2,-0.4 -0.815 54.9-116.8 -99.2 132.6 25.9 9.8 35.8 17 87 D L B > -b 102 0B 1 51,-1.9 3,-2.1 -2,-0.4 86,-0.2 -0.531 15.2-145.6 -70.6 122.9 24.3 8.2 38.8 18 88 D c G > >S+ 0 0 1 84,-2.5 5,-2.2 -2,-0.4 3,-2.0 0.777 95.7 71.2 -60.8 -25.0 24.6 10.6 41.8 19 89 D S G 3 5S+ 0 0 18 83,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.687 100.7 46.2 -65.1 -17.4 25.0 7.5 44.1 20 90 D d G < 5S+ 0 0 16 -3,-2.1 -1,-0.3 47,-0.2 -2,-0.2 0.355 106.9 61.5 -96.6 3.3 28.5 7.1 42.5 21 91 D e T < 5S- 0 0 0 -3,-2.0 -2,-0.2 -4,-0.2 -1,-0.1 0.061 128.1 -79.6-120.6 16.4 29.3 10.8 42.8 22 92 D G T 5S+ 0 0 15 1,-0.3 220,-0.2 252,-0.3 -3,-0.2 0.480 109.4 80.6 94.8 2.3 29.2 11.4 46.6 23 93 D G S -E 27 0C 66 3,-1.7 3,-0.8 -2,-0.1 -6,-0.1 -0.773 41.1 -80.0-134.5-177.0 22.7 8.9 46.9 25 95 D T T 3 S+ 0 0 26 -2,-0.2 79,-2.5 1,-0.2 -7,-0.1 0.791 132.5 24.8 -54.1 -30.4 19.9 7.7 44.7 26 96 D T T 3 S+ 0 0 63 77,-0.2 2,-0.4 -8,-0.1 -1,-0.2 0.145 115.0 69.0-124.0 12.9 17.7 10.6 46.1 27 97 D T B < S-E 24 0C 9 -3,-0.8 -3,-1.7 32,-0.0 210,-0.2 -0.995 72.8-120.0-139.1 146.2 20.3 13.2 47.2 28 98 D f - 0 0 2 208,-3.2 211,-0.3 -2,-0.4 3,-0.1 -0.529 35.7-105.4 -79.1 143.0 22.7 15.6 45.5 29 99 D P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 209,-0.2 -0.259 59.9 -70.1 -55.9 156.6 26.4 15.4 46.1 30 100 D P T 3 S+ 0 0 2 0, 0.0 247,-0.4 0, 0.0 210,-0.1 -0.252 121.3 14.2 -51.1 130.7 27.8 18.2 48.3 31 101 D G T 3 S+ 0 0 24 208,-0.3 2,-0.4 1,-0.3 293,-0.1 0.507 98.7 111.9 81.7 7.5 27.8 21.5 46.5 32 102 D S < - 0 0 5 -3,-1.9 206,-0.4 291,-0.1 -1,-0.3 -0.912 60.5-134.8-111.9 146.0 25.5 20.5 43.6 33 103 D T E -C 60 0B 79 27,-2.6 27,-2.8 -2,-0.4 29,-0.1 -0.826 16.0-118.8-107.6 129.8 22.0 21.9 43.3 34 104 D P E -C 59 0B 42 0, 0.0 25,-0.2 0, 0.0 203,-0.1 -0.353 27.1-120.2 -62.2 141.2 18.8 19.9 42.6 35 105 D S - 0 0 2 23,-2.5 56,-0.1 1,-0.1 55,-0.0 -0.682 9.5-147.1 -77.0 138.7 16.9 20.8 39.4 36 106 D P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.663 85.1 47.3 -77.5 -17.1 13.3 21.9 40.1 37 107 D I + 0 0 37 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.774 68.1 159.8-121.1 163.5 12.2 20.3 36.8 38 108 D S - 0 0 10 -2,-0.3 2,-0.2 19,-0.1 19,-0.2 -0.979 40.5 -98.8-168.4 163.7 13.0 16.9 35.3 39 109 D X E -F 56 0D 5 17,-0.6 17,-2.4 -2,-0.3 2,-0.4 -0.603 40.5-136.6 -85.8 160.1 12.0 14.3 32.8 40 110 D I E -F 55 0D 61 43,-2.7 2,-0.3 -2,-0.2 15,-0.2 -0.949 12.8-156.6-122.5 139.2 10.0 11.3 34.2 41 111 D G E -F 54 0D 3 13,-2.9 13,-2.6 -2,-0.4 2,-0.6 -0.815 13.4-139.4-110.5 156.0 10.4 7.6 33.5 42 112 D T E -F 53 0D 24 32,-0.5 2,-0.4 -2,-0.3 11,-0.2 -0.952 33.2-179.2-114.9 109.1 8.0 4.7 33.8 43 113 D b E -F 52 0D 0 9,-2.3 9,-2.6 -2,-0.6 2,-0.5 -0.898 27.2-124.0-120.8 140.2 10.0 1.8 35.2 44 114 D H E -F 51 0D 97 -2,-0.4 7,-0.3 7,-0.2 3,-0.0 -0.679 17.8-145.8 -85.0 119.1 9.0 -1.8 36.0 45 115 D N E >>> -F 50 0D 18 5,-3.8 4,-1.4 -2,-0.5 5,-0.7 -0.757 7.1-162.6 -82.5 111.6 9.6 -2.9 39.6 46 116 D P T 345S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.693 81.9 65.3 -72.4 -15.4 10.6 -6.6 39.4 47 117 D H T 345S+ 0 0 145 1,-0.2 -2,-0.0 3,-0.1 -3,-0.0 0.819 122.0 14.5 -77.5 -33.7 9.9 -7.2 43.2 48 118 D D T <45S- 0 0 67 -3,-0.7 -1,-0.2 2,-0.2 3,-0.1 0.336 100.0-120.4-119.2 2.4 6.2 -6.5 43.1 49 119 D G T <5S+ 0 0 44 -4,-1.4 2,-0.2 1,-0.2 -5,-0.0 0.672 71.9 127.2 66.8 18.6 5.6 -6.7 39.3 50 120 D K E < -F 45 0D 107 -5,-0.7 -5,-3.8 -7,-0.0 2,-0.4 -0.695 57.7-125.7-108.7 158.3 4.3 -3.1 39.3 51 121 D D E -F 44 0D 72 -7,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.866 27.3-167.0-105.6 136.7 5.3 -0.0 37.3 52 122 D Y E -F 43 0D 36 -9,-2.6 -9,-2.3 -2,-0.4 2,-0.5 -0.900 25.0-117.1-126.3 148.7 6.3 3.2 39.0 53 123 D L E -FG 42 108D 70 55,-3.4 54,-2.9 -2,-0.3 55,-1.2 -0.760 32.9-167.8 -80.7 125.0 6.8 6.9 38.0 54 124 D I E -FG 41 106D 0 -13,-2.6 -13,-2.9 -2,-0.5 2,-0.5 -0.978 9.9-147.8-116.4 128.6 10.4 7.9 38.6 55 125 D S E -FG 40 105D 9 50,-3.0 50,-2.7 -2,-0.4 2,-0.9 -0.850 4.3-152.5 -97.3 128.1 11.5 11.5 38.5 56 126 D Y E +F 39 0D 0 -17,-2.4 -17,-0.6 -2,-0.5 2,-0.4 -0.639 19.3 178.0-102.1 74.9 15.0 12.2 37.3 57 127 D H - 0 0 48 -2,-0.9 46,-2.5 -19,-0.2 -19,-0.1 -0.647 20.0-142.1 -73.8 127.2 16.0 15.4 38.9 58 128 D D E - D 0 102B 0 -21,-0.5 -23,-2.5 -2,-0.4 2,-0.4 -0.433 6.7-126.6 -82.4 162.1 19.6 16.3 38.0 59 129 D f E -CD 34 101B 0 42,-3.1 41,-2.3 -25,-0.2 42,-1.5 -0.951 39.2-171.7-109.0 134.9 22.1 17.8 40.3 60 130 D g E +CD 33 99B 0 -27,-2.8 -27,-2.6 -2,-0.4 39,-0.2 -0.744 45.4 55.9-129.2 165.3 23.6 21.0 38.8 61 131 D G S S+ 0 0 15 37,-2.4 2,-0.3 1,-0.3 38,-0.1 0.615 88.5 84.5 85.3 10.5 26.3 23.7 39.1 62 132 D K S S- 0 0 2 36,-0.6 -1,-0.3 -3,-0.2 3,-0.2 -0.964 84.8-101.1-132.1 151.3 29.3 21.3 39.1 63 133 D T - 0 0 3 -2,-0.3 554,-0.1 1,-0.2 553,-0.0 -0.173 65.6 -51.1 -68.9 168.1 31.1 19.9 36.1 64 134 D A - 0 0 4 1,-0.1 36,-0.2 551,-0.1 -1,-0.2 -0.042 40.7-148.5 -52.3 126.4 30.5 16.3 35.0 65 135 D e - 0 0 0 35,-2.1 -1,-0.1 -3,-0.2 36,-0.1 0.900 20.6-157.3 -59.8 -41.7 30.8 13.7 37.7 66 136 D G + 0 0 17 34,-0.3 2,-0.4 1,-0.2 3,-0.3 0.480 50.0 111.1 80.1 3.4 32.1 11.1 35.1 67 137 D R S S+ 0 0 41 1,-0.2 -50,-0.4 -50,-0.1 -1,-0.2 -0.881 75.3 4.5-118.5 145.0 31.2 8.1 37.2 68 138 D d S S- 0 0 44 -2,-0.4 -51,-1.9 -52,-0.2 2,-0.4 0.935 75.1-166.7 51.7 55.0 28.5 5.4 36.5 69 139 D Q E -A 16 0A 95 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.616 8.3-175.9 -72.9 128.9 27.4 6.8 33.2 70 140 D a E -A 15 0A 4 -55,-3.0 -55,-1.9 -2,-0.4 -64,-0.0 -0.890 22.1-173.3-124.2 152.4 24.1 5.2 32.1 71 141 D N E +A 14 0A 75 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.2 -0.341 24.4 157.6-143.5 62.2 22.0 5.5 28.9 72 142 D T - 0 0 38 -59,-2.2 798,-0.1 -62,-0.3 797,-0.1 -0.628 19.1-173.9 -97.3 146.0 18.8 3.6 29.4 73 143 D Q > + 0 0 6 796,-0.4 3,-1.6 -2,-0.3 796,-0.3 0.063 18.3 155.8-134.4 22.0 15.7 4.5 27.3 74 144 D T T 3 S- 0 0 45 -63,-2.1 -32,-0.5 1,-0.3 3,-0.1 -0.374 86.0 -13.1 -61.4 116.2 12.7 2.5 28.6 75 145 D R T 3 S+ 0 0 124 -2,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.545 97.3 149.8 67.4 10.8 9.6 4.4 27.6 76 146 D E < - 0 0 3 -3,-1.6 -1,-0.2 -34,-0.0 9,-0.2 -0.478 25.3-167.9 -74.6 142.3 11.6 7.5 26.7 77 147 D R - 0 0 20 7,-1.6 9,-0.2 4,-0.3 4,-0.1 -0.848 23.2 -88.5-132.3 162.0 10.2 9.6 23.9 78 148 D P > - 0 0 12 0, 0.0 3,-2.5 0, 0.0 6,-0.3 0.015 53.2 -83.8 -68.7 179.8 11.4 12.5 21.7 79 149 D G T 3 S+ 0 0 2 1,-0.3 3,-0.5 5,-0.1 6,-0.1 0.617 120.4 72.3 -67.5 -14.0 11.3 16.2 22.5 80 150 D Y T 3 S+ 0 0 9 1,-0.3 -1,-0.3 664,-0.1 2,-0.2 0.497 103.6 45.9 -74.8 -6.0 7.7 16.6 21.2 81 151 D E S X S+ 0 0 43 -3,-2.5 3,-2.2 1,-0.1 -1,-0.3 -0.679 88.9 177.8-122.2 74.0 6.9 14.7 24.5 82 152 D F G > + 0 0 18 -3,-0.5 3,-1.6 1,-0.3 -1,-0.1 0.803 67.1 51.0 -64.2 -39.8 9.2 16.9 26.4 83 153 D F G 3 S+ 0 0 101 1,-0.3 -43,-2.7 -44,-0.1 -1,-0.3 0.436 110.6 51.8 -82.3 6.5 8.9 15.6 29.9 84 154 D L G < S+ 0 0 57 -3,-2.2 -7,-1.6 -6,-0.3 2,-0.4 0.290 92.8 99.8-107.1 7.1 9.5 12.1 28.8 85 155 D H < - 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