==== 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 2AGY . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR L.MASGRAU,A.ROUJEINIKOVA,L.O.JOHANNISSEN,P.HOTHI,J.BASRAN, . 935 5 16 11 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 593 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 . 346 37.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 1.8 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 . 77 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 1 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 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 0 178 0, 0.0 3,-1.5 0, 0.0 6,-0.2 0.000 360.0 360.0 360.0 -34.3 16.0 18.2 4.7 2 72 D V T 3 + 0 0 51 1,-0.3 17,-0.2 4,-0.1 18,-0.1 0.705 360.0 62.2 -68.5 -17.9 15.1 14.6 4.0 3 73 D N T 3 S+ 0 0 83 16,-0.1 2,-0.4 15,-0.1 -1,-0.3 0.411 88.0 93.0 -87.6 3.2 14.0 14.2 7.6 4 74 D S S X S- 0 0 50 -3,-1.5 3,-1.7 1,-0.1 6,-0.2 -0.779 77.3-134.4 -99.3 141.4 11.3 16.8 7.2 5 75 D a T 3 S+ 0 0 39 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.745 106.0 60.5 -61.2 -24.3 7.7 16.0 6.3 6 76 D D T 3 S+ 0 0 143 -5,-0.1 -1,-0.3 3,-0.1 5,-0.1 0.458 70.6 123.2 -86.5 -1.8 7.9 18.8 3.8 7 77 D Y S X S- 0 0 32 -3,-1.7 3,-2.2 -6,-0.2 -5,-0.1 -0.406 73.7-120.2 -59.0 137.2 10.7 17.3 1.7 8 78 D W G > S+ 0 0 29 1,-0.3 3,-0.9 2,-0.1 -1,-0.1 0.775 107.2 57.7 -62.2 -31.0 9.3 17.0 -1.7 9 79 D R G 3 S+ 0 0 52 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.637 96.9 65.7 -72.4 -13.0 9.6 13.2 -2.1 10 80 D H G X + 0 0 2 -3,-2.2 3,-1.8 1,-0.2 62,-0.3 0.089 61.2 125.4 -96.1 23.5 7.5 12.6 1.0 11 81 D b T < S+ 0 0 14 -3,-0.9 63,-2.1 1,-0.3 -1,-0.2 0.637 82.1 28.8 -68.6 -15.1 4.3 14.0 -0.4 12 82 D A T 3 S+ 0 0 2 -3,-0.3 2,-0.5 61,-0.2 -1,-0.3 -0.004 85.4 136.4-129.8 31.2 2.2 10.9 0.3 13 83 D V < + 0 0 0 -3,-1.8 59,-2.5 -8,-0.2 2,-0.5 -0.685 24.1 176.1 -77.6 122.7 3.9 9.5 3.4 14 84 D D E +A 71 0A 18 -2,-0.5 2,-0.3 57,-0.3 57,-0.2 -0.926 60.7 38.6-117.9 100.7 1.6 8.3 6.1 15 85 D G E S-A 70 0A 0 55,-2.3 55,-3.1 -2,-0.5 2,-0.4 -0.982 100.8 -41.9 154.9-165.5 4.1 6.9 8.6 16 86 D F E -A 69 0A 0 -2,-0.3 86,-3.4 53,-0.3 2,-0.4 -0.831 58.7-112.7-100.5 134.2 7.5 7.4 10.2 17 87 D L B > -b 102 0B 1 51,-2.1 3,-2.0 -2,-0.4 4,-0.2 -0.497 17.4-146.6 -70.0 122.8 10.3 8.5 7.9 18 88 D c G > >S+ 0 0 1 84,-2.4 5,-2.0 -2,-0.4 3,-1.9 0.803 95.6 67.9 -60.3 -28.2 12.8 5.7 7.7 19 89 D S G 3 5S+ 0 0 17 83,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.687 102.0 47.6 -66.1 -16.0 15.7 8.2 7.3 20 90 D d G < 5S+ 0 0 16 -3,-2.0 -1,-0.3 47,-0.2 -2,-0.2 0.372 106.0 61.9 -94.8 1.2 14.9 9.2 10.9 21 91 D e T < 5S- 0 0 0 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.1 0.088 128.5 -79.9-120.8 17.6 14.9 5.6 12.1 22 92 D G T 5S+ 0 0 13 1,-0.4 206,-0.2 -3,-0.3 -3,-0.2 0.468 109.5 81.1 94.8 1.3 18.4 4.4 11.3 23 93 D G S -F 27 0C 63 3,-2.1 3,-0.9 -2,-0.1 -4,-0.1 -0.804 42.1 -82.6-136.0-177.0 17.6 6.3 4.6 25 95 D T T 3 S+ 0 0 25 -2,-0.2 79,-1.6 1,-0.2 -7,-0.1 0.756 132.1 28.7 -62.4 -21.4 14.9 7.3 2.1 26 96 D T T 3 S+ 0 0 31 77,-0.2 196,-1.4 1,-0.1 2,-0.4 0.200 114.7 64.5-124.7 13.2 15.8 4.1 0.1 27 97 D T B < S-Fg 24 222C 27 -3,-0.9 -3,-2.1 194,-0.2 196,-0.2 -0.998 74.8-124.4-140.0 138.3 17.1 1.6 2.8 28 98 D f - 0 0 1 194,-2.5 197,-0.3 -2,-0.4 3,-0.1 -0.467 38.0 -98.5 -72.8 146.9 15.4 0.0 5.6 29 99 D P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 195,-0.2 -0.275 62.9 -71.7 -54.8 152.4 16.8 0.4 9.1 30 100 D P T 3 S+ 0 0 4 0, 0.0 233,-0.4 0, 0.0 196,-0.1 -0.186 121.2 15.5 -51.8 133.5 18.8 -2.6 10.2 31 101 D G T 3 S+ 0 0 22 194,-0.3 2,-0.4 1,-0.3 279,-0.1 0.523 99.6 109.9 80.2 6.7 16.7 -5.6 10.9 32 102 D S < - 0 0 3 -3,-2.0 192,-0.4 277,-0.1 -1,-0.3 -0.903 61.2-134.4-112.4 148.8 13.5 -4.3 9.2 33 103 D T E -C 60 0B 77 27,-2.7 27,-2.4 -2,-0.4 67,-0.1 -0.839 15.6-118.5-110.9 130.4 12.3 -5.8 5.9 34 104 D P E -C 59 0B 34 0, 0.0 25,-0.2 0, 0.0 189,-0.1 -0.312 27.0-119.7 -61.4 144.4 11.1 -4.0 2.8 35 105 D S E - 0 0 3 23,-2.5 186,-0.1 1,-0.1 56,-0.1 -0.713 9.2-146.1 -79.2 138.9 7.6 -4.4 1.7 36 106 D P E S+ 0 0 96 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.582 85.7 49.9 -76.3 -12.2 7.4 -5.9 -1.9 37 107 D I E + 0 0 35 53,-0.4 21,-0.5 21,-0.1 2,-0.3 -0.781 68.3 164.6-125.0 164.4 4.2 -3.8 -2.4 38 108 D S E -C 57 0B 11 -2,-0.3 2,-0.3 19,-0.1 19,-0.2 -0.987 37.9-101.1-166.5 160.8 3.5 -0.1 -1.8 39 109 D X E -C 56 0B 3 17,-0.9 17,-3.0 -2,-0.3 2,-0.4 -0.682 39.9-136.9 -86.2 159.0 1.4 2.8 -2.4 40 110 D I E -C 55 0B 47 43,-2.6 2,-0.3 -2,-0.3 15,-0.2 -0.937 16.2-168.2-120.4 139.1 2.5 5.3 -5.0 41 111 D G E -C 54 0B 3 13,-2.8 13,-3.0 -2,-0.4 2,-0.5 -0.878 18.5-139.0-118.9 158.8 2.5 9.0 -4.9 42 112 D T E -C 53 0B 37 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.979 31.4-174.8-115.2 115.2 3.1 11.6 -7.6 43 113 D b E -C 52 0B 0 9,-2.7 9,-2.8 -2,-0.5 2,-0.5 -0.895 24.5-121.8-120.6 142.0 5.2 14.4 -6.1 44 114 D H E -C 51 0B 103 -2,-0.4 7,-0.2 7,-0.2 6,-0.0 -0.695 19.4-139.2 -85.2 122.9 6.3 17.7 -7.6 45 115 D N > - 0 0 16 5,-3.1 4,-1.6 -2,-0.5 5,-0.2 -0.735 8.1-156.7 -82.5 117.2 10.0 18.3 -7.7 46 116 D P T 4 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.573 86.7 53.9 -73.6 -9.5 10.6 21.9 -6.7 47 117 D H T 4 S+ 0 0 145 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.931 123.0 18.5 -89.4 -56.5 13.9 22.1 -8.5 48 118 D D T 4 S- 0 0 64 2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.474 96.2-126.7 -98.1 -3.2 13.2 20.9 -12.1 49 119 D G < + 0 0 46 -4,-1.6 2,-0.2 1,-0.2 -5,-0.0 0.558 67.3 126.0 72.9 10.5 9.4 21.6 -11.9 50 120 D K - 0 0 108 -5,-0.2 -5,-3.1 -6,-0.0 2,-0.4 -0.657 60.0-119.4-100.8 155.2 8.6 18.0 -13.0 51 121 D D E -C 44 0B 67 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.784 29.6-164.8 -94.3 137.8 6.4 15.4 -11.3 52 122 D Y E -C 43 0B 35 -9,-2.8 -9,-2.7 -2,-0.4 2,-0.5 -0.925 22.1-119.6-123.8 146.2 7.9 12.1 -10.2 53 123 D L E -CD 42 108B 65 55,-2.8 54,-2.9 -2,-0.4 55,-1.1 -0.746 30.0-167.6 -79.8 125.2 6.5 8.8 -9.2 54 124 D I E -CD 41 106B 0 -13,-3.0 -13,-2.8 -2,-0.5 2,-0.6 -0.970 10.5-147.6-115.9 128.7 7.5 7.9 -5.6 55 125 D S E -CD 40 105B 9 50,-3.4 50,-2.6 -2,-0.4 2,-1.3 -0.876 6.4-152.7 -99.3 121.7 7.0 4.4 -4.3 56 126 D Y E +C 39 0B 0 -17,-3.0 -17,-0.9 -2,-0.6 2,-0.3 -0.642 21.1 176.3 -98.7 77.9 6.2 4.3 -0.6 57 127 D H E -C 38 0B 36 -2,-1.3 46,-2.9 -19,-0.2 2,-0.2 -0.634 21.1-137.4 -74.7 138.4 7.5 0.9 0.5 58 128 D D E - E 0 102B 1 -21,-0.5 -23,-2.5 -2,-0.3 2,-0.4 -0.524 6.5-128.9 -87.2 161.5 7.3 0.3 4.2 59 129 D f E -CE 34 101B 0 42,-3.1 41,-2.6 -25,-0.2 42,-1.4 -0.958 38.3-171.3-109.1 138.7 9.9 -1.4 6.3 60 130 D g E +CE 33 99B 0 -27,-2.4 -27,-2.7 -2,-0.4 39,-0.2 -0.741 44.8 55.9-134.3 162.7 8.4 -4.2 8.4 61 131 D G S S+ 0 0 14 37,-2.3 2,-0.3 1,-0.3 38,-0.1 0.616 88.8 82.2 86.4 13.5 8.9 -6.7 11.1 62 132 D K S S- 0 0 1 36,-0.6 -1,-0.3 -3,-0.2 3,-0.2 -0.959 85.2 -98.5-137.6 154.1 9.9 -4.2 13.9 63 133 D T - 0 0 4 -2,-0.3 542,-0.1 1,-0.2 541,-0.0 -0.167 65.8 -53.3 -71.5 167.8 7.6 -2.2 16.1 64 134 D A - 0 0 3 1,-0.1 36,-0.2 539,-0.1 -1,-0.2 -0.054 39.9-148.2 -53.3 128.9 6.9 1.5 15.4 65 135 D e - 0 0 0 35,-2.3 -1,-0.1 -3,-0.2 36,-0.1 0.902 19.9-158.3 -62.9 -41.5 9.9 3.7 14.9 66 136 D G + 0 0 16 34,-0.3 2,-0.3 1,-0.2 3,-0.3 0.371 49.3 111.8 83.3 -5.0 8.0 6.6 16.4 67 137 D R S S+ 0 0 44 1,-0.2 -50,-0.4 -50,-0.1 -1,-0.2 -0.810 75.8 4.3-107.1 145.0 10.3 9.3 14.8 68 138 D d S S- 0 0 46 -2,-0.3 -51,-2.1 -52,-0.2 2,-0.3 0.936 75.1-165.2 54.0 55.4 9.4 11.8 12.1 69 139 D Q E -A 16 0A 91 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.3 -0.588 9.3-176.5 -70.6 131.1 5.8 10.9 11.8 70 140 D a E -A 15 0A 3 -55,-3.1 -55,-2.3 -2,-0.3 -64,-0.0 -0.924 22.7-175.6-127.6 153.6 4.3 12.4 8.6 71 141 D N E +A 14 0A 69 -2,-0.3 2,-0.3 -57,-0.2 -57,-0.3 -0.415 24.7 157.9-145.9 64.7 0.8 12.4 7.2 72 142 D T - 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