==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 07-SEP-06 2IAA . COMPND 2 MOLECULE: AROMATIC AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR N.SUKUMAR,Z.CHEN,D.LEYS,N.S.SCRUTTON,D.FERRATI,A.MERLI, . 1072 5 17 17 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 684 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 378 35.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 1 0.1 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 . 84 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.2 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 1 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 1 0 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 PARALLEL BRIDGES PER LADDER . 9 5 7 9 19 11 3 0 2 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 12 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 29 A P 0 0 142 0, 0.0 1072,-0.1 0, 0.0 1071,-0.1 0.000 360.0 360.0 360.0 112.6 39.3 139.3 84.7 2 30 A R + 0 0 224 1070,-0.2 2,-0.4 1069,-0.0 1070,-0.1 0.946 360.0 69.4 -62.1 -49.3 36.3 138.0 82.7 3 31 A E + 0 0 47 1068,-0.5 2,-0.4 1069,-0.1 1067,-0.0 -0.575 60.9 169.2 -77.8 128.8 38.5 137.1 79.7 4 32 A V - 0 0 94 -2,-0.4 2,-0.3 987,-0.1 987,-0.1 -0.985 34.2-121.9-141.4 125.3 40.8 134.1 80.3 5 33 A L - 0 0 22 -2,-0.4 2,-0.3 995,-0.1 987,-0.2 -0.506 36.6-175.3 -68.6 128.6 42.8 132.4 77.6 6 34 A T B -a 992 0A 57 985,-1.1 987,-2.2 -2,-0.3 2,-0.1 -0.900 12.5-169.8-127.5 156.4 42.0 128.7 77.4 7 35 A G + 0 0 28 -2,-0.3 991,-0.1 985,-0.2 1017,-0.0 -0.359 54.1 83.9-120.8-157.3 43.3 125.7 75.4 8 36 A G + 0 0 59 989,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.649 63.2 151.7 70.0 17.0 42.1 122.1 74.9 9 37 A H - 0 0 66 984,-0.3 987,-0.4 988,-0.2 2,-0.2 -0.429 39.2-128.9 -83.2 156.0 39.6 123.1 72.2 10 38 A S - 0 0 52 1,-0.1 81,-0.2 -2,-0.1 80,-0.1 -0.622 42.9 -74.3 -99.0 160.0 38.4 120.9 69.3 11 39 A V - 0 0 11 79,-2.7 -1,-0.1 -2,-0.2 35,-0.1 -0.300 43.2-134.3 -53.9 129.6 38.4 121.7 65.6 12 40 A S S S+ 0 0 78 33,-0.3 -1,-0.1 975,-0.2 -2,-0.0 0.662 81.3 62.6 -63.9 -22.7 35.5 124.1 65.1 13 41 A A S S- 0 0 10 1,-0.1 5,-0.1 2,-0.0 -2,-0.0 -0.793 92.2 -97.3-109.2 150.9 34.0 122.4 62.0 14 42 A P > - 0 0 61 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.185 36.9-110.2 -60.2 156.4 32.5 118.9 61.6 15 43 A Q G > S+ 0 0 52 1,-0.3 3,-1.7 2,-0.2 342,-0.3 0.851 113.1 65.3 -56.3 -38.9 34.7 116.2 60.3 16 44 A E G 3 S+ 0 0 97 1,-0.3 -1,-0.3 340,-0.1 341,-0.1 0.622 100.4 53.4 -63.2 -10.9 32.9 115.9 56.9 17 45 A N G < S+ 0 0 34 -3,-1.7 22,-2.4 22,-0.1 23,-0.4 0.550 90.8 102.7 -98.2 -9.6 34.1 119.4 56.1 18 46 A R E < +C 38 0B 9 -3,-1.7 339,-2.1 -4,-0.4 2,-0.3 -0.487 40.2 175.9 -87.2 146.4 37.8 118.8 56.6 19 47 A I E -CD 37 356B 0 18,-2.0 18,-2.3 337,-0.2 2,-0.5 -0.952 22.6-133.7-137.2 153.4 40.6 118.3 54.2 20 48 A Y E -CD 36 355B 2 335,-3.4 335,-2.1 -2,-0.3 2,-0.7 -0.953 10.8-163.4-119.3 122.7 44.4 117.9 55.0 21 49 A V E -CD 35 354B 0 14,-2.9 14,-2.7 -2,-0.5 2,-1.0 -0.901 13.2-147.0-106.3 111.4 47.1 119.7 53.0 22 50 A M E -CD 34 353B 0 331,-2.5 2,-0.8 -2,-0.7 330,-0.6 -0.667 15.0-164.5 -80.1 102.4 50.5 118.2 53.5 23 51 A D E -CD 33 351B 1 10,-2.3 10,-2.2 -2,-1.0 328,-0.2 -0.800 12.0-175.0 -92.1 110.6 52.9 121.2 53.3 24 52 A S - 0 0 11 326,-2.1 29,-0.3 -2,-0.8 7,-0.2 0.772 18.6-153.6 -74.1 -25.1 56.5 120.0 52.8 25 53 A V > - 0 0 2 325,-0.5 3,-2.6 1,-0.1 6,-0.3 0.947 15.3-172.9 47.6 53.1 57.8 123.5 53.1 26 54 A F G > S+ 0 0 30 1,-0.3 3,-1.1 324,-0.2 -1,-0.1 0.781 76.7 63.4 -46.9 -36.1 60.7 122.3 51.0 27 55 A M G 3 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.776 125.1 16.9 -62.3 -26.4 62.6 125.6 51.5 28 56 A H G X S+ 0 0 3 -3,-2.6 3,-2.7 -4,-0.1 -1,-0.3 -0.459 80.4 172.6-143.9 60.3 62.7 124.8 55.2 29 57 A L G X + 0 0 15 -3,-1.1 24,-2.0 1,-0.3 3,-0.9 0.600 68.7 70.9 -49.2 -21.3 62.0 121.0 55.1 30 58 A T G 3 S+ 0 0 9 1,-0.2 -1,-0.3 22,-0.2 22,-0.1 0.606 99.3 51.2 -75.9 -8.4 62.7 120.5 58.8 31 59 A E G < S+ 0 0 3 -3,-2.7 -1,-0.2 -6,-0.3 21,-0.2 -0.158 75.4 148.7-120.5 41.7 59.5 122.4 59.6 32 60 A S < + 0 0 1 19,-2.3 18,-2.5 -3,-0.9 19,-0.3 -0.302 20.3 172.2 -67.9 158.6 57.0 120.6 57.4 33 61 A R E -CE 23 49B 3 -10,-2.2 -10,-2.3 16,-0.3 2,-0.5 -0.984 34.5-109.9-162.6 165.1 53.4 120.4 58.7 34 62 A V E -CE 22 48B 1 14,-2.6 14,-1.8 -2,-0.3 2,-0.5 -0.902 27.1-152.9-104.4 129.1 49.8 119.4 57.9 35 63 A H E -CE 21 47B 4 -14,-2.7 -14,-2.9 -2,-0.5 2,-0.5 -0.901 7.2-148.3-103.1 129.7 47.3 122.3 57.4 36 64 A V E +CE 20 46B 0 10,-3.2 9,-3.4 -2,-0.5 10,-1.2 -0.868 22.6 178.7-100.5 124.5 43.7 121.4 58.2 37 65 A Y E -CE 19 44B 9 -18,-2.3 -18,-2.0 -2,-0.5 2,-0.7 -0.863 34.3-125.7-124.8 158.2 41.1 123.3 56.1 38 66 A D E >>> -CE 18 43B 7 5,-2.1 4,-2.6 -2,-0.3 3,-0.8 -0.909 21.6-161.6 -99.5 110.7 37.3 123.5 55.8 39 67 A Y T 345S+ 0 0 23 -22,-2.4 -1,-0.1 -2,-0.7 -21,-0.1 0.703 83.2 65.4 -69.6 -17.5 36.7 122.8 52.0 40 68 A T T 345S+ 0 0 49 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.774 126.7 4.9 -76.4 -25.2 33.2 124.3 52.2 41 69 A N T <45S- 0 0 96 -3,-0.8 -2,-0.2 -24,-0.2 -1,-0.1 0.409 96.8-113.8-137.2 -3.2 34.4 127.8 53.0 42 70 A G T <5 + 0 0 24 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.665 57.6 158.3 77.0 17.0 38.2 127.7 52.9 43 71 A K E < -E 38 0B 85 -5,-0.5 -5,-2.1 1,-0.1 2,-0.5 -0.555 44.5-122.9 -79.1 136.8 38.7 128.4 56.6 44 72 A F E +E 37 0B 15 -2,-0.3 -7,-0.2 -7,-0.2 943,-0.2 -0.668 30.9 179.1 -76.9 125.1 42.0 127.4 58.2 45 73 A L E - 0 0 1 -9,-3.4 2,-0.3 -2,-0.5 -33,-0.3 0.670 48.7 -68.0-103.4 -22.4 41.1 125.0 61.1 46 74 A G E -E 36 0B 1 -10,-1.2 -10,-3.2 948,-0.1 -1,-0.4 -0.959 44.1-119.0 157.8-173.4 44.5 124.1 62.6 47 75 A M E -E 35 0B 1 948,-0.4 -12,-0.2 -2,-0.3 983,-0.0 -0.982 3.5-139.6-157.0 165.1 47.7 122.2 61.9 48 76 A V E -E 34 0B 0 -14,-1.8 -14,-2.6 -2,-0.3 2,-0.2 -0.989 27.1-129.3-132.4 120.9 50.0 119.4 63.0 49 77 A P E -E 33 0B 6 0, 0.0 -16,-0.3 0, 0.0 -17,-0.1 -0.479 24.0-179.6 -70.5 138.6 53.8 119.8 63.0 50 78 A T - 0 0 0 -18,-2.5 20,-0.3 1,-0.3 -17,-0.2 0.059 19.9-150.0-130.1 27.0 55.7 117.1 61.2 51 79 A A > + 0 0 7 -19,-0.3 -19,-2.3 18,-0.1 2,-0.6 -0.023 67.3 16.8 43.0-131.9 59.3 118.0 61.5 52 80 A F E 3 S-F 70 0C 12 18,-1.1 18,-0.8 1,-0.2 -22,-0.2 -0.603 133.5 -31.7 -79.7 114.2 61.5 116.8 58.6 53 81 A N E 3 S- 0 0 6 -24,-2.0 -1,-0.2 -2,-0.6 54,-0.2 0.932 83.1-163.3 46.0 62.9 59.7 115.8 55.5 54 82 A G E < - 0 0 0 -3,-0.5 2,-0.3 -25,-0.2 15,-0.2 -0.317 10.5-156.1 -75.5 159.4 56.6 114.5 57.2 55 83 A H E -F 68 0C 2 13,-1.9 13,-1.9 -5,-0.1 2,-0.3 -0.922 14.8-166.0-128.9 154.5 54.0 112.3 55.6 56 84 A V E +F 67 0C 1 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.989 18.8 166.8-149.0 155.7 50.4 112.0 56.7 57 85 A Q E -F 66 0C 3 9,-2.1 9,-3.2 -2,-0.3 2,-0.4 -0.967 31.5-120.2-158.6 155.4 47.1 110.0 56.5 58 86 A V E -F 65 0C 10 -2,-0.3 7,-0.2 7,-0.2 298,-0.0 -0.849 37.9-104.6-102.7 140.2 43.8 109.9 58.4 59 87 A S > - 0 0 1 5,-2.8 3,-2.0 -2,-0.4 -1,-0.1 -0.260 29.4-115.9 -60.1 148.7 42.7 106.7 60.1 60 88 A N T 3 S+ 0 0 73 1,-0.3 -1,-0.1 57,-0.1 60,-0.1 0.877 118.1 52.2 -54.2 -40.3 40.0 104.8 58.3 61 89 A D T 3 S- 0 0 101 59,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.528 109.6-128.0 -76.1 -3.0 37.6 105.4 61.3 62 90 A G S < S+ 0 0 1 -3,-2.0 -2,-0.1 2,-0.2 -1,-0.1 0.658 80.4 107.7 67.6 18.5 38.4 109.1 61.1 63 91 A K S S+ 0 0 132 1,-0.1 26,-2.2 26,-0.1 27,-0.4 0.731 74.6 37.8 -97.3 -25.8 39.3 109.4 64.8 64 92 A K E - G 0 88C 50 24,-0.2 -5,-2.8 25,-0.1 2,-0.5 -0.882 64.6-137.8-128.9 159.3 43.1 109.8 64.5 65 93 A I E -FG 58 87C 0 22,-3.0 22,-2.5 -2,-0.3 2,-0.5 -0.964 21.0-153.0-113.9 126.0 45.7 111.4 62.3 66 94 A Y E -FG 57 86C 12 -9,-3.2 -9,-2.1 -2,-0.5 2,-0.3 -0.865 15.3-179.2-102.3 132.6 48.8 109.4 61.5 67 95 A T E -FG 56 85C 0 18,-2.5 18,-2.6 -2,-0.5 2,-0.4 -0.894 13.2-159.5-126.8 158.8 52.1 111.1 60.7 68 96 A M E +FG 55 84C 0 -13,-1.9 -13,-1.9 -2,-0.3 2,-0.3 -0.995 28.8 139.6-137.6 129.3 55.5 109.8 59.8 69 97 A T E - G 0 83C 0 14,-1.9 14,-2.4 -2,-0.4 2,-0.4 -0.916 41.7-111.1-156.9-178.5 58.7 111.8 60.2 70 98 A T E -FG 52 82C 2 -18,-0.8 -18,-1.1 -20,-0.3 2,-0.3 -0.989 24.4-173.8-129.5 135.4 62.3 111.9 61.2 71 99 A Y E - G 0 81C 9 10,-2.2 10,-3.0 -2,-0.4 2,-0.3 -0.858 7.4-161.9-123.2 159.8 64.0 113.6 64.2 72 100 A H E > - G 0 80C 14 -2,-0.3 3,-2.4 8,-0.2 8,-0.2 -0.989 32.9-117.7-140.1 137.6 67.6 114.1 65.3 73 101 A E T 3 S+ 0 0 110 6,-1.6 5,-0.2 -2,-0.3 7,-0.1 0.790 118.8 17.8 -45.6 -34.8 68.7 115.0 68.8 74 102 A R T 3 S- 0 0 43 3,-2.1 2,-2.9 5,-0.1 -1,-0.3 -0.057 104.2-124.3-129.6 30.5 70.2 118.2 67.4 75 103 A I S < S+ 0 0 34 -3,-2.4 385,-0.2 1,-0.3 -2,-0.1 -0.291 106.2 37.1 62.9 -65.8 68.4 118.3 64.1 76 104 A T S S+ 0 0 14 -2,-2.9 2,-0.3 -4,-0.1 -1,-0.3 0.351 131.9 18.2 -97.1 3.7 71.5 118.5 61.9 77 105 A R S S+ 0 0 54 2,-0.1 -3,-2.1 -5,-0.0 2,-0.1 -0.950 91.4 60.2-160.4 167.5 73.5 116.1 64.1 78 106 A G S S- 0 0 38 -2,-0.3 0, 0.0 -5,-0.2 0, 0.0 -0.216 89.8 -21.3 95.9 172.0 72.9 113.6 66.8 79 107 A K - 0 0 147 -7,-0.1 -6,-1.6 1,-0.1 2,-0.3 -0.216 63.3-126.5 -59.5 138.9 70.9 110.3 66.9 80 108 A R E -G 72 0C 40 -8,-0.2 2,-0.4 377,-0.1 -8,-0.2 -0.640 20.6-170.2 -88.6 141.2 68.2 109.7 64.3 81 109 A S E -G 71 0C 26 -10,-3.0 -10,-2.2 -2,-0.3 2,-0.5 -0.891 1.2-170.6-135.2 102.2 64.6 108.8 65.3 82 110 A D E +GH 70 100C 3 18,-0.6 18,-2.2 -2,-0.4 2,-0.3 -0.801 25.7 163.7 -90.3 131.3 62.2 107.7 62.5 83 111 A V E -GH 69 99C 2 -14,-2.4 -14,-1.9 -2,-0.5 2,-0.4 -0.932 42.3-135.3-146.6 168.9 58.7 107.4 63.9 84 112 A V E -GH 68 98C 0 14,-2.0 14,-3.4 -2,-0.3 2,-0.4 -0.978 30.7-159.4-119.6 133.5 55.0 107.2 63.2 85 113 A E E -GH 67 97C 0 -18,-2.6 -18,-2.5 -2,-0.4 2,-0.5 -0.929 8.6-146.3-119.3 145.8 52.9 109.5 65.5 86 114 A V E -GH 66 96C 16 10,-2.7 9,-2.5 -2,-0.4 10,-1.7 -0.948 20.2-176.9-110.9 128.2 49.3 109.2 66.3 87 115 A W E -GH 65 94C 12 -22,-2.5 -22,-3.0 -2,-0.5 2,-0.4 -0.933 32.5-108.5-123.8 147.5 47.4 112.4 66.9 88 116 A D E > -G 64 0C 30 5,-2.3 4,-1.7 -2,-0.3 5,-0.5 -0.622 24.7-145.3 -76.0 130.0 43.7 113.0 67.9 89 117 A A T 4 S+ 0 0 0 -26,-2.2 -25,-0.1 -2,-0.4 -1,-0.1 0.833 93.8 40.2 -65.3 -36.8 41.8 114.3 64.9 90 118 A D T 4 S+ 0 0 60 -27,-0.4 -79,-2.7 1,-0.1 -1,-0.2 0.852 126.2 32.3 -83.8 -35.6 39.5 116.6 66.8 91 119 A K T 4 S- 0 0 73 -81,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.609 93.0-139.7 -94.7 -14.3 41.9 118.0 69.3 92 120 A L < + 0 0 0 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.918 53.1 144.5 53.0 47.3 44.9 117.9 67.0 93 121 A T - 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