==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-JUL-05 2AGZ . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR L.MASGRAU,A.ROUJEINIKOVA,L.O.JOHANNISSEN,P.HOTHI,J.BASRAN, . 945 4 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 62.9 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 . 352 37.2 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 . 87 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 2.3 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 7 5 22 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 72 D V 0 0 82 0, 0.0 17,-0.2 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 -14.2 9.0 50.5 78.7 2 73 D N + 0 0 88 16,-0.1 2,-0.4 15,-0.1 14,-0.1 0.312 360.0 92.6 -85.9 9.6 6.6 49.5 81.5 3 74 D S S > S- 0 0 55 1,-0.1 3,-1.8 66,-0.0 6,-0.2 -0.813 77.0-134.7-106.5 142.8 5.5 46.4 79.6 4 75 D a T 3 S+ 0 0 40 -2,-0.4 8,-0.2 1,-0.3 -1,-0.1 0.681 107.4 62.3 -66.1 -17.7 7.0 43.0 79.9 5 76 D D T 3 S+ 0 0 146 3,-0.0 -1,-0.3 66,-0.0 5,-0.1 0.470 72.6 121.6 -84.1 -6.0 6.9 42.9 76.1 6 77 D Y S X S- 0 0 81 -3,-1.8 3,-2.1 1,-0.1 0, 0.0 -0.378 75.5-116.1 -61.4 139.5 9.3 45.8 75.8 7 78 D W G > S+ 0 0 35 1,-0.3 3,-0.6 2,-0.1 36,-0.1 0.779 108.9 48.8 -54.0 -36.4 12.3 44.6 73.8 8 79 D R G 3 S+ 0 0 24 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.584 96.5 71.8 -86.0 -4.4 15.0 45.0 76.4 9 80 D H G X + 0 0 2 -3,-2.1 3,-1.2 1,-0.2 62,-0.2 -0.047 60.3 124.4 -93.3 30.5 13.0 43.2 79.2 10 81 D b T < S+ 0 0 19 -3,-0.6 63,-2.5 1,-0.3 -1,-0.2 0.619 79.0 29.5 -77.4 -11.5 13.4 39.8 77.5 11 82 D A T 3 S+ 0 0 2 -3,-0.3 2,-0.5 61,-0.2 -1,-0.3 -0.156 85.1 138.0-133.9 43.6 15.0 37.9 80.5 12 83 D V < + 0 0 0 -3,-1.2 59,-2.3 -8,-0.2 2,-0.5 -0.782 25.6 178.6 -93.1 126.2 13.5 39.8 83.5 13 84 D D E +A 70 0A 15 -2,-0.5 2,-0.3 57,-0.2 57,-0.2 -0.892 62.8 33.9-121.6 95.9 12.3 37.8 86.5 14 85 D G E S-A 69 0A 0 55,-2.2 55,-2.8 -2,-0.5 2,-0.4 -0.964 100.8 -40.3 151.1-169.8 11.0 40.5 88.8 15 86 D F E -A 68 0A 0 -2,-0.3 86,-3.3 53,-0.2 2,-0.3 -0.763 58.4-113.3 -96.0 132.5 9.4 43.9 89.0 16 87 D L B > -b 101 0B 1 51,-2.1 3,-1.9 -2,-0.4 4,-0.2 -0.479 16.4-145.1 -67.8 124.1 10.4 46.5 86.4 17 88 D c G > >S+ 0 0 2 84,-2.3 5,-2.1 -2,-0.3 3,-1.7 0.788 96.8 68.0 -59.4 -27.8 12.2 49.3 88.1 18 89 D S G 3 5S+ 0 0 19 83,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.672 102.4 47.3 -66.2 -16.2 10.6 51.8 85.7 19 90 D d G < 5S+ 0 0 16 -3,-1.9 -1,-0.3 47,-0.2 -2,-0.2 0.369 106.0 61.6 -95.5 -0.4 7.2 51.0 87.3 20 91 D e T < 5S- 0 0 0 -3,-1.7 -2,-0.2 -4,-0.2 -1,-0.1 0.072 128.6 -80.0-118.0 18.0 8.7 51.4 90.8 21 92 D G T 5S+ 0 0 13 1,-0.4 215,-0.2 247,-0.3 -3,-0.2 0.450 109.3 81.1 91.9 1.5 9.8 55.1 90.8 22 93 D G S -F 26 0C 62 3,-2.0 3,-0.9 -2,-0.1 -4,-0.1 -0.780 41.8 -80.3-136.7-177.3 13.8 54.0 85.2 24 95 D T T 3 S+ 0 0 27 1,-0.2 79,-1.3 -2,-0.2 -7,-0.1 0.785 132.4 25.9 -58.5 -26.8 15.3 51.3 83.1 25 96 D T T 3 S+ 0 0 30 77,-0.1 205,-1.6 79,-0.1 2,-0.4 0.185 114.6 67.4-125.3 16.4 18.8 52.4 84.2 26 97 D T B < S-Fg 23 230C 29 -3,-0.9 -3,-2.0 203,-0.2 205,-0.2 -0.998 74.2-124.1-139.3 138.3 18.2 54.1 87.6 27 98 D f - 0 0 2 203,-2.7 206,-0.3 -2,-0.4 3,-0.1 -0.449 36.7-100.9 -74.1 146.8 17.2 52.6 90.9 28 99 D P > - 0 0 2 0, 0.0 3,-1.9 0, 0.0 204,-0.2 -0.318 62.2 -70.7 -58.1 153.4 14.2 53.9 92.7 29 100 D P T 3 S+ 0 0 4 0, 0.0 242,-0.4 0, 0.0 205,-0.1 -0.153 120.5 13.4 -51.1 133.5 15.1 56.3 95.5 30 101 D G T 3 S+ 0 0 22 203,-0.3 2,-0.4 1,-0.2 288,-0.2 0.536 98.2 111.6 77.8 9.5 16.6 54.5 98.4 31 102 D S < - 0 0 5 -3,-1.9 201,-0.5 286,-0.1 -1,-0.2 -0.909 63.6-127.1-113.2 147.4 17.3 51.2 96.7 32 103 D T E -C 59 0B 58 27,-2.7 27,-2.0 -2,-0.4 2,-0.1 -0.743 18.1-120.0-101.9 134.1 20.9 50.1 96.0 33 104 D P E -C 58 0B 45 0, 0.0 25,-0.2 0, 0.0 198,-0.1 -0.455 27.3-123.7 -69.1 138.7 22.2 49.0 92.6 34 105 D S E - 0 0 5 23,-2.6 195,-0.1 -2,-0.1 56,-0.1 -0.605 6.2-147.7 -79.4 141.9 23.5 45.5 92.4 35 106 D P E S+ 0 0 91 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.735 83.4 44.4 -77.1 -21.9 27.1 45.2 91.1 36 107 D I E + 0 0 37 53,-0.4 21,-0.5 19,-0.0 2,-0.3 -0.673 66.6 165.0-119.0 171.8 26.3 41.8 89.5 37 108 D S E -C 56 0B 9 -2,-0.2 2,-0.3 19,-0.1 19,-0.2 -0.966 40.2 -92.8-167.8 164.9 23.4 40.6 87.4 38 109 D X E -C 55 0B 4 17,-0.9 17,-3.0 -2,-0.3 2,-0.4 -0.673 44.8-135.9 -85.3 158.2 22.2 37.9 85.1 39 110 D I E +C 54 0B 53 43,-2.1 2,-0.3 -2,-0.3 15,-0.2 -0.912 22.4 179.5-122.0 145.0 22.7 38.7 81.5 40 111 D G E -C 53 0B 2 13,-2.6 13,-2.9 -2,-0.4 2,-0.5 -0.858 24.3-132.6-132.9 166.5 20.4 38.3 78.5 41 112 D T E -C 52 0B 29 32,-0.4 2,-0.4 -2,-0.3 11,-0.2 -0.998 30.4-176.9-123.8 124.3 20.5 38.9 74.8 42 113 D b E -C 51 0B 2 9,-2.4 9,-2.8 -2,-0.5 2,-0.5 -0.962 25.6-121.7-128.4 140.0 17.5 40.8 73.4 43 114 D H E -C 50 0B 104 -2,-0.4 7,-0.3 7,-0.2 3,-0.0 -0.680 20.4-147.2 -80.4 124.4 16.5 41.8 69.8 44 115 D N E >>> -C 49 0B 18 5,-2.9 4,-1.8 -2,-0.5 5,-0.9 -0.832 3.6-160.5 -93.1 113.5 16.0 45.5 69.3 45 116 D P T 345S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.700 84.5 69.3 -67.0 -18.6 13.2 46.1 66.7 46 117 D H T 345S+ 0 0 166 1,-0.2 -3,-0.0 3,-0.1 -2,-0.0 0.897 122.4 8.9 -66.5 -39.8 14.4 49.7 66.1 47 118 D D T <45S- 0 0 56 -3,-0.8 -1,-0.2 2,-0.2 3,-0.1 0.372 97.3-117.8-123.5 2.7 17.6 48.6 64.4 48 119 D G T <5S+ 0 0 47 -4,-1.8 2,-0.3 1,-0.2 -5,-0.0 0.811 72.9 122.4 65.0 31.7 17.2 44.8 64.0 49 120 D K E < -C 44 0B 109 -5,-0.9 -5,-2.9 -7,-0.0 2,-0.4 -0.931 61.7-120.3-126.1 149.9 20.2 44.0 66.2 50 121 D D E -C 43 0B 82 -2,-0.3 2,-0.4 -7,-0.3 -7,-0.2 -0.717 28.8-162.3 -86.3 136.4 20.7 41.9 69.3 51 122 D Y E -C 42 0B 37 -9,-2.8 -9,-2.4 -2,-0.4 2,-0.5 -0.917 22.0-119.7-118.4 144.9 22.0 43.7 72.4 52 123 D L E -CD 41 107B 63 55,-3.1 54,-2.8 -2,-0.4 55,-1.1 -0.733 34.0-163.4 -77.8 126.8 23.6 42.3 75.6 53 124 D I E -CD 40 105B 0 -13,-2.9 -13,-2.6 -2,-0.5 2,-0.6 -0.958 10.8-150.9-119.5 133.2 21.4 43.4 78.5 54 125 D S E -CD 39 104B 11 50,-3.2 50,-2.5 -2,-0.4 2,-1.5 -0.920 8.9-150.6-104.5 115.5 22.6 43.3 82.2 55 126 D Y E +C 38 0B 0 -17,-3.0 -17,-0.9 -2,-0.6 48,-0.2 -0.620 23.2 179.6 -91.2 78.3 19.7 42.7 84.5 56 127 D H E -C 37 0B 30 -2,-1.5 46,-3.3 -19,-0.2 2,-0.3 -0.464 16.8-139.2 -72.2 148.4 20.9 44.5 87.6 57 128 D D E - E 0 101B 1 -21,-0.5 -23,-2.6 32,-0.3 2,-0.4 -0.719 4.8-132.6-101.6 163.5 18.6 44.6 90.6 58 129 D f E -CE 33 100B 0 42,-2.9 41,-2.2 -2,-0.3 42,-1.5 -0.945 38.8-173.4-111.3 138.3 17.8 47.4 93.0 59 130 D g E +CE 32 98B 0 -27,-2.0 -27,-2.7 -2,-0.4 39,-0.2 -0.741 43.6 58.3-136.2 167.8 18.1 46.2 96.6 60 131 D G S S+ 0 0 14 37,-2.2 2,-0.3 1,-0.3 38,-0.2 0.602 89.0 83.5 82.4 12.0 17.6 46.9 100.2 61 132 D K S S- 0 0 2 36,-0.7 -1,-0.3 -3,-0.2 3,-0.2 -0.971 85.4 -98.2-135.8 154.7 13.9 47.6 100.0 62 133 D T - 0 0 4 -2,-0.3 552,-0.1 1,-0.2 551,-0.0 -0.147 65.0 -54.9 -72.6 170.5 11.0 45.2 100.0 63 134 D A - 0 0 3 1,-0.1 36,-0.2 549,-0.1 -1,-0.2 -0.085 39.1-148.1 -55.6 128.8 9.3 44.0 96.8 64 135 D e - 0 0 0 35,-2.3 -1,-0.1 -3,-0.2 36,-0.1 0.899 20.3-156.7 -60.1 -41.0 8.0 46.8 94.6 65 136 D G + 0 0 16 34,-0.3 2,-0.3 1,-0.2 3,-0.3 0.319 50.0 112.8 82.8 -6.8 5.1 44.6 93.5 66 137 D R S S+ 0 0 41 1,-0.2 -50,-0.4 -50,-0.1 -1,-0.2 -0.769 75.0 4.5-105.9 145.2 4.5 46.4 90.2 67 138 D d S S- 0 0 44 -2,-0.3 -51,-2.1 -52,-0.2 2,-0.4 0.942 75.9-163.2 51.8 57.3 5.0 45.2 86.7 68 139 D Q E -A 15 0A 97 -3,-0.3 2,-0.3 -53,-0.2 -53,-0.2 -0.593 10.0-175.2 -73.0 129.3 6.0 41.7 87.5 69 140 D a E -A 14 0A 4 -55,-2.8 -55,-2.2 -2,-0.4 -64,-0.0 -0.890 23.7-176.8-122.7 152.8 7.7 40.0 84.6 70 141 D N E +A 13 0A 71 -2,-0.3 -57,-0.2 -57,-0.2 2,-0.2 -0.354 26.5 156.6-145.1 56.4 9.0 36.4 84.1 71 142 D T - 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