==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/ELECTRON TRANSPORT 23-MAY-06 2H3X . 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, . 1223 6 18 18 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 795 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 407 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 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 . 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 . 108 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.1 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 4 0 2 0 0 0 0 2 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 2 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 PARALLEL BRIDGES PER LADDER . 12 4 10 10 18 8 6 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 12 8 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 0 108 0, 0.0 1094,-0.1 0, 0.0 1095,-0.1 0.000 360.0 360.0 360.0 36.5 63.2 55.2 100.4 2 30 A R + 0 0 115 1093,-1.5 2,-0.3 1092,-0.1 1093,-0.2 0.926 360.0 14.0 -47.6 -59.7 66.2 53.1 99.4 3 31 A E - 0 0 39 1091,-1.6 2,-0.4 2,-0.0 1090,-0.0 -0.763 70.0-153.0-116.8 164.3 65.4 53.1 95.6 4 32 A V - 0 0 102 -2,-0.3 2,-0.4 1010,-0.1 1010,-0.0 -1.000 20.7-117.9-139.7 140.4 63.0 55.2 93.5 5 33 A L - 0 0 20 -2,-0.4 2,-0.3 1018,-0.1 1010,-0.2 -0.610 37.5-171.1 -77.3 131.2 61.2 54.4 90.2 6 34 A T B -a 1015 0A 59 1008,-1.4 1010,-2.8 -2,-0.4 2,-0.2 -0.886 11.1-178.6-124.2 157.1 62.3 56.8 87.5 7 35 A G + 0 0 28 -2,-0.3 1014,-0.1 1008,-0.2 1040,-0.0 -0.553 51.3 80.7-131.8-163.8 61.1 57.5 84.0 8 36 A G + 0 0 59 1012,-0.5 2,-0.1 1009,-0.2 -1,-0.1 0.647 64.9 149.3 72.3 15.1 62.0 59.8 81.1 9 37 A H - 0 0 68 1007,-0.3 1010,-0.4 1008,-0.1 -1,-0.2 -0.403 40.0-130.6 -81.9 158.4 64.8 57.5 80.1 10 38 A S - 0 0 49 1,-0.1 81,-0.2 1008,-0.1 80,-0.1 -0.595 43.5 -70.1-102.3 165.9 66.1 57.0 76.5 11 39 A V - 0 0 11 79,-2.7 -1,-0.1 -2,-0.2 4,-0.1 -0.337 42.9-140.9 -55.9 129.3 66.7 53.8 74.6 12 40 A S S S+ 0 0 90 33,-0.3 -1,-0.1 998,-0.2 33,-0.0 0.933 79.9 67.7 -60.9 -49.0 69.7 52.1 76.2 13 41 A A S S- 0 0 9 1,-0.1 2,-0.1 2,-0.1 5,-0.1 -0.396 93.2-103.2 -76.4 150.8 71.3 50.8 72.9 14 42 A P > - 0 0 63 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.427 33.0-110.2 -71.9 146.0 72.7 53.2 70.3 15 43 A Q G > S+ 0 0 54 1,-0.3 3,-2.0 2,-0.2 342,-0.3 0.832 114.0 67.8 -43.3 -45.2 70.6 53.9 67.2 16 44 A E G 3 S+ 0 0 112 1,-0.3 -1,-0.3 340,-0.1 343,-0.1 0.566 102.8 49.1 -55.8 -7.8 73.0 51.9 64.9 17 45 A N G < S+ 0 0 26 -3,-2.7 22,-2.8 22,-0.1 23,-0.4 0.539 89.7 103.1-108.8 -11.2 71.9 48.8 66.8 18 46 A R E < +C 38 0B 9 -3,-2.0 339,-2.3 -4,-0.4 2,-0.3 -0.520 39.8 177.9 -85.9 141.9 68.1 49.2 66.6 19 47 A I E -CD 37 356B 0 18,-2.3 18,-2.2 337,-0.2 2,-0.5 -0.923 21.6-133.3-131.2 155.7 65.6 47.4 64.4 20 48 A Y E -CD 36 355B 2 335,-3.3 335,-2.0 -2,-0.3 2,-0.6 -0.959 11.6-165.4-121.3 124.1 61.8 47.8 64.4 21 49 A V E -CD 35 354B 0 14,-2.8 14,-2.9 -2,-0.5 2,-1.2 -0.923 14.2-146.9-107.8 113.7 59.4 44.9 64.3 22 50 A M E -C 34 0B 0 331,-2.3 2,-1.0 -2,-0.6 330,-0.6 -0.686 14.9-163.7 -82.3 97.6 55.8 45.9 63.4 23 51 A D E -CD 33 351B 1 10,-2.0 10,-2.5 -2,-1.2 328,-0.2 -0.734 10.7-174.4 -88.2 105.6 53.7 43.5 65.4 24 52 A S - 0 0 13 326,-2.1 29,-0.3 -2,-1.0 7,-0.2 0.759 17.2-154.4 -69.7 -23.8 50.2 43.5 63.9 25 53 A V > - 0 0 0 325,-0.4 3,-3.0 1,-0.1 6,-0.3 0.929 14.9-173.4 47.0 50.7 48.9 41.2 66.7 26 54 A F G > S+ 0 0 67 1,-0.3 3,-1.1 324,-0.3 414,-0.1 0.756 75.7 65.8 -48.1 -29.3 46.2 40.2 64.2 27 55 A M G 3 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.782 124.3 16.6 -64.6 -25.8 44.4 38.1 66.9 28 56 A H G X S+ 0 0 3 -3,-3.0 3,-3.2 -4,-0.1 -1,-0.3 -0.435 79.7 172.9-143.6 60.0 43.8 41.5 68.7 29 57 A L G X S+ 0 0 29 -3,-1.1 24,-1.8 1,-0.3 3,-1.0 0.630 70.6 72.7 -46.7 -20.6 44.4 43.9 65.8 30 58 A T G 3 S+ 0 0 7 1,-0.3 -1,-0.3 22,-0.2 22,-0.1 0.605 100.0 47.0 -75.5 -7.9 43.2 46.8 68.0 31 59 A E G < S+ 0 0 2 -3,-3.2 -1,-0.3 -6,-0.3 21,-0.2 -0.138 76.3 148.2-125.1 40.9 46.4 46.5 70.0 32 60 A S < + 0 0 1 19,-1.9 18,-2.1 -3,-1.0 2,-0.3 -0.256 21.7 172.1 -66.7 162.2 49.1 46.3 67.3 33 61 A R E -CE 23 49B 4 -10,-2.5 -10,-2.0 16,-0.2 2,-0.5 -0.964 35.0-105.1-161.7 176.4 52.5 47.8 68.2 34 62 A V E -CE 22 48B 0 14,-1.7 14,-1.6 -2,-0.3 2,-0.5 -0.969 27.1-155.2-116.1 119.9 56.1 48.3 67.3 35 63 A H E -CE 21 47B 2 -14,-2.9 -14,-2.8 -2,-0.5 2,-0.6 -0.829 8.2-150.0 -95.8 130.4 58.7 46.3 69.1 36 64 A V E +CE 20 46B 0 10,-2.8 9,-3.4 -2,-0.5 10,-1.2 -0.887 21.4 178.8-103.3 120.4 62.2 47.9 69.2 37 65 A Y E -CE 19 44B 8 -18,-2.2 -18,-2.3 -2,-0.6 2,-0.7 -0.792 34.1-124.7-119.3 163.8 65.1 45.5 69.4 38 66 A D E >>> -CE 18 43B 6 5,-1.8 4,-1.9 -2,-0.3 3,-0.8 -0.933 21.6-156.9-102.7 109.8 68.9 45.6 69.4 39 67 A Y T 345S+ 0 0 25 -22,-2.8 -1,-0.1 -2,-0.7 -21,-0.1 0.621 85.7 63.1 -67.5 -10.5 69.9 43.4 66.5 40 68 A T T 345S+ 0 0 48 -23,-0.4 -1,-0.2 1,-0.1 -22,-0.1 0.810 125.2 8.7 -83.6 -30.1 73.4 42.8 68.0 41 69 A N T <45S- 0 0 93 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.319 95.6-118.0-131.2 4.1 72.2 41.0 71.2 42 70 A G T <5 + 0 0 24 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.714 58.3 158.0 64.2 21.3 68.5 40.4 70.5 43 71 A K E < -E 38 0B 92 -5,-0.6 -5,-1.8 1,-0.1 2,-0.4 -0.597 46.0-118.6 -83.0 138.2 67.6 42.6 73.6 44 72 A F E +E 37 0B 15 -2,-0.3 966,-0.3 -7,-0.2 -7,-0.2 -0.624 32.6 178.0 -75.6 123.9 64.2 44.2 73.8 45 73 A L E - 0 0 1 -9,-3.4 2,-0.3 -2,-0.4 -33,-0.3 0.721 48.6 -70.3-101.0 -27.9 64.6 48.0 73.9 46 74 A G E -E 36 0B 0 -10,-1.2 -10,-2.8 971,-0.1 -1,-0.3 -0.985 44.1-119.1 163.0-165.6 61.1 49.4 74.0 47 75 A M E -E 35 0B 0 971,-0.4 -12,-0.2 -2,-0.3 1006,-0.0 -0.996 4.3-138.2-165.7 163.7 57.9 49.9 72.0 48 76 A V E -E 34 0B 0 -14,-1.6 -14,-1.7 -2,-0.3 2,-0.1 -0.973 26.7-132.3-131.5 115.0 55.3 52.2 70.5 49 77 A P E -E 33 0B 5 0, 0.0 -16,-0.2 0, 0.0 -17,-0.1 -0.435 23.2-179.1 -66.4 140.7 51.6 51.4 70.7 50 78 A T - 0 0 0 -18,-2.1 20,-0.3 1,-0.3 -17,-0.2 0.017 21.4-145.8-133.4 29.8 49.9 51.8 67.3 51 79 A A > + 0 0 8 -19,-0.3 -19,-1.9 18,-0.1 2,-0.5 0.023 66.6 11.5 43.3-139.3 46.2 50.9 67.9 52 80 A F E 3 S-F 70 0C 10 18,-1.0 18,-0.7 1,-0.2 -22,-0.2 -0.573 133.0 -29.6 -75.3 116.2 44.3 49.1 65.1 53 81 A N E 3 S- 0 0 6 -24,-1.8 -1,-0.2 -2,-0.5 54,-0.2 0.931 84.3-168.8 43.1 68.4 46.5 47.9 62.3 54 82 A G E < - 0 0 1 -3,-0.5 2,-0.3 -25,-0.2 15,-0.2 -0.535 12.2-149.5 -88.2 155.1 49.2 50.5 62.6 55 83 A H E -F 68 0C 2 13,-2.7 13,-2.0 -2,-0.2 2,-0.3 -0.889 16.7-167.3-119.3 153.6 52.0 51.1 60.1 56 84 A V E +F 67 0C 2 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.954 17.7 160.4-144.2 160.9 55.5 52.4 60.9 57 85 A Q E -F 66 0C 4 9,-1.6 9,-3.4 -2,-0.3 2,-0.4 -0.946 34.4-115.3-169.2 156.7 58.8 53.8 59.5 58 86 A V E -F 65 0C 11 -2,-0.3 7,-0.2 7,-0.2 298,-0.0 -0.872 38.6-105.5-105.0 135.5 61.8 55.8 60.8 59 87 A S > - 0 0 1 5,-3.0 3,-2.4 -2,-0.4 5,-0.1 -0.221 31.7-115.5 -54.5 146.7 62.5 59.3 59.5 60 88 A N T 3 S+ 0 0 75 1,-0.3 -1,-0.1 57,-0.2 60,-0.1 0.821 118.1 57.2 -56.6 -31.2 65.4 59.3 57.1 61 89 A D T 3 S- 0 0 106 59,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.552 108.5-129.7 -77.4 -5.4 67.3 61.5 59.5 62 90 A G S < S+ 0 0 0 -3,-2.4 -2,-0.1 2,-0.2 -1,-0.1 0.654 81.6 103.3 68.6 16.9 66.8 58.8 62.1 63 91 A K S S+ 0 0 138 1,-0.1 26,-1.5 26,-0.1 27,-0.3 0.583 75.5 43.2-105.7 -10.4 65.5 61.1 64.8 64 92 A K E - G 0 88C 50 24,-0.2 -5,-3.0 25,-0.1 2,-0.5 -0.964 63.4-141.6-137.7 152.7 61.8 60.4 64.6 65 93 A I E -FG 58 87C 0 22,-3.8 22,-3.4 -2,-0.3 2,-0.5 -0.938 19.9-154.3-110.4 131.8 59.5 57.4 64.4 66 94 A Y E -FG 57 86C 9 -9,-3.4 -9,-1.6 -2,-0.5 2,-0.3 -0.913 14.0-179.1-109.4 132.2 56.4 57.8 62.2 67 95 A T E -FG 56 85C 0 18,-2.4 18,-2.3 -2,-0.5 2,-0.4 -0.898 12.9-161.6-127.4 158.5 53.3 55.8 62.7 68 96 A M E +FG 55 84C 0 -13,-2.0 -13,-2.7 -2,-0.3 2,-0.3 -0.993 29.3 137.8-138.3 128.9 49.9 55.6 60.9 69 97 A T E - G 0 83C 0 14,-1.7 14,-2.3 -2,-0.4 2,-0.4 -0.907 42.5-107.1-157.4-176.2 46.9 54.1 62.6 70 98 A T E -FG 52 82C 3 -18,-0.7 -18,-1.0 -20,-0.3 2,-0.3 -0.984 24.8-174.5-130.1 137.7 43.1 54.4 63.2 71 99 A Y E - 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