==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JUL-01 1JMX . COMPND 2 MOLECULE: AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.SATOH,I.MIYAHARA,K.HIROTSU . 909 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 300 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.1 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 . 4 0.4 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 . 98 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.5 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 3 2 0 2 1 2 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 PARALLEL BRIDGES PER LADDER . 4 4 5 7 5 9 4 5 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 3 7 3 0 0 0 1 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 2 A E 0 0 117 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.0 154.2 34.1 5.0 2 3 A Q > - 0 0 143 1,-0.1 4,-1.9 60,-0.0 5,-0.2 -0.595 360.0-114.4 -86.6 154.8 153.7 30.4 5.4 3 4 A G H > S+ 0 0 7 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.939 111.9 50.6 -54.4 -52.1 151.4 29.2 8.2 4 5 A P H > S+ 0 0 36 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.830 111.1 46.6 -56.7 -39.8 154.1 27.5 10.2 5 6 A S H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.866 113.5 48.3 -73.8 -37.1 156.5 30.5 10.3 6 7 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.4 0.850 106.4 59.2 -68.1 -36.8 153.8 33.0 11.2 7 8 A L H X>S+ 0 0 3 -4,-2.2 4,-1.4 -5,-0.2 5,-0.6 0.900 113.7 37.2 -56.6 -45.0 152.7 30.6 13.9 8 9 A Q H X5S+ 0 0 88 -4,-1.4 4,-1.1 3,-0.2 -2,-0.2 0.932 116.1 50.3 -74.6 -48.7 156.1 30.8 15.5 9 10 A N H <5S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.774 125.0 27.6 -60.7 -31.5 156.9 34.5 14.8 10 11 A K H <5S+ 0 0 72 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.669 129.6 31.7-107.5 -22.5 153.5 35.7 16.3 11 12 A C H >X5S+ 0 0 21 -4,-1.4 4,-2.2 -5,-0.4 3,-1.5 0.732 92.7 93.0-108.4 -31.4 152.4 33.1 18.9 12 13 A M B 3< S+B 22 0B 36 3,-0.8 3,-2.6 0, 0.0 -1,-0.4 -0.326 103.0 19.7 124.5 153.0 157.9 20.2 18.4 20 21 A N T 3 S- 0 0 147 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 0.697 131.8 -41.3 14.1 71.5 157.5 20.4 14.6 21 22 A D T 3 S+ 0 0 79 1,-0.2 2,-0.4 -17,-0.1 -1,-0.3 0.638 107.8 125.5 64.1 21.4 155.3 23.4 14.3 22 23 A T E < -B 19 0B 45 -3,-2.6 -4,-2.8 4,-0.0 -3,-0.8 -0.857 36.4-173.5-109.6 142.6 153.1 22.5 17.3 23 24 A Y E > -B 17 0B 12 -2,-0.4 4,-1.8 -6,-0.2 5,-0.1 -0.909 34.8 -82.0-132.5 160.4 152.5 24.9 20.2 24 25 A S T 4 S- 0 0 8 -8,-2.0 2,-2.6 -2,-0.3 -10,-0.1 -0.341 108.9 -4.6 -63.1 143.3 150.8 24.7 23.6 25 26 A R T >4 S+ 0 0 30 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 -0.403 124.3 72.4 73.7 -62.8 147.0 25.3 23.4 26 27 A I G >4 S+ 0 0 22 -2,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.827 98.2 44.6 -49.2 -46.4 147.0 26.0 19.7 27 28 A S G 3< S+ 0 0 26 -4,-1.8 -1,-0.3 1,-0.2 -3,-0.1 0.203 105.7 63.0 -89.9 18.6 147.6 22.4 18.6 28 29 A H G < S+ 0 0 53 -3,-2.0 2,-0.3 -5,-0.1 -1,-0.2 0.062 93.5 66.4-129.8 23.4 145.1 20.8 21.0 29 30 A Q < - 0 0 13 -3,-0.7 2,-0.4 84,-0.1 84,-0.2 -0.988 58.6-156.1-144.7 146.8 141.9 22.3 19.7 30 31 A R E +C 112 0C 4 82,-2.0 82,-2.3 -2,-0.3 2,-0.3 -0.996 25.6 159.1-126.8 130.6 139.8 22.0 16.5 31 32 A K E -C 111 0C 1 36,-1.9 38,-0.2 -2,-0.4 80,-0.2 -0.896 40.8 -90.5-142.6 174.6 137.4 24.8 15.4 32 33 A T > - 0 0 3 78,-0.7 4,-2.3 -2,-0.3 3,-0.3 -0.273 51.3 -96.3 -79.7 169.6 135.6 26.2 12.4 33 34 A P H > S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.899 128.6 45.0 -56.5 -42.4 137.2 29.0 10.3 34 35 A E H > S+ 0 0 27 2,-0.2 4,-1.7 1,-0.2 458,-0.2 0.734 108.7 58.6 -74.4 -21.1 135.3 31.7 12.2 35 36 A G H > S+ 0 0 2 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.933 107.1 46.1 -70.5 -45.7 136.2 30.0 15.5 36 37 A W H X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.922 111.5 51.8 -62.2 -42.7 139.9 30.3 14.6 37 38 A L H X S+ 0 0 41 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.886 108.7 52.5 -60.1 -39.4 139.5 33.9 13.7 38 39 A M H X S+ 0 0 25 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.841 107.8 50.2 -65.8 -36.4 137.7 34.5 17.0 39 40 A S H X S+ 0 0 18 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.920 113.1 45.4 -68.4 -44.4 140.6 33.0 19.0 40 41 A I H X S+ 0 0 14 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.882 110.6 53.9 -66.5 -38.8 143.2 35.2 17.2 41 42 A A H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.840 106.0 53.8 -63.9 -33.9 141.0 38.3 17.6 42 43 A R H X>S+ 0 0 66 -4,-1.4 4,-2.7 1,-0.2 5,-0.8 0.864 103.2 57.1 -67.8 -35.0 140.9 37.5 21.4 43 44 A M H X5S+ 0 0 42 -4,-1.4 6,-2.1 3,-0.2 4,-0.7 0.864 111.3 43.0 -62.6 -35.5 144.7 37.5 21.4 44 45 A Q H X5S+ 0 0 41 -4,-1.4 4,-0.7 4,-0.3 -2,-0.2 0.923 120.6 38.4 -75.6 -48.4 144.7 41.0 19.9 45 46 A V H <5S+ 0 0 45 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.2 0.920 131.1 25.8 -70.3 -45.4 142.0 42.5 22.1 46 47 A M H <5S+ 0 0 38 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.874 132.6 29.2 -89.3 -41.8 142.9 40.8 25.4 47 48 A H H < - 0 0 58 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.304 30.8-111.9 -73.8 164.5 147.9 42.6 10.3 53 54 A D H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.861 117.4 54.2 -64.4 -36.5 144.6 41.5 8.7 54 55 A D H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.939 111.0 42.7 -62.2 -52.3 146.5 39.8 5.9 55 56 A D H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.806 112.1 55.2 -65.9 -30.9 148.7 37.7 8.3 56 57 A R H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.939 107.0 50.5 -67.4 -42.7 145.6 36.9 10.4 57 58 A R H X S+ 0 0 82 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.852 109.3 52.4 -61.1 -36.6 143.8 35.6 7.2 58 59 A T H X S+ 0 0 44 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.936 110.6 45.9 -66.0 -46.4 146.9 33.4 6.5 59 60 A L H X S+ 0 0 3 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.877 110.6 52.9 -65.2 -39.1 146.8 31.9 10.0 60 61 A V H X S+ 0 0 8 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.942 110.8 47.4 -61.6 -46.5 143.1 31.3 10.0 61 62 A K H X S+ 0 0 44 -4,-2.0 4,-1.7 1,-0.2 172,-0.2 0.945 114.7 47.3 -59.0 -48.1 143.4 29.4 6.6 62 63 A Y H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.924 117.9 39.7 -60.2 -49.2 146.3 27.4 8.0 63 64 A L H X S+ 0 0 6 -4,-3.1 4,-2.8 1,-0.2 -32,-0.2 0.860 111.5 56.9 -72.8 -33.5 144.7 26.5 11.3 64 65 A A H < S+ 0 0 1 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.827 113.4 40.7 -66.9 -33.2 141.2 25.9 9.7 65 66 A D H >< S+ 0 0 20 -4,-1.7 3,-0.5 -5,-0.2 -2,-0.2 0.918 120.9 41.3 -79.8 -48.2 142.7 23.3 7.4 66 67 A K H 3< S+ 0 0 90 -4,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.918 131.3 23.1 -65.3 -48.0 145.0 21.6 9.9 67 68 A Q T 3< S+ 0 0 31 -4,-2.8 -36,-1.9 -5,-0.2 -1,-0.2 -0.628 91.3 126.7-124.8 73.3 142.6 21.6 12.8 68 69 A G < - 0 0 2 -3,-0.5 2,-0.3 -2,-0.3 -36,-0.2 -0.397 56.9 -94.7-112.7-169.2 139.1 21.8 11.5 69 70 A L - 0 0 3 -38,-0.2 5,-0.1 -2,-0.1 -38,-0.0 -0.851 32.4-115.0-111.7 147.4 135.9 19.8 12.0 70 71 A A > - 0 0 2 -2,-0.3 3,-1.4 1,-0.1 4,-0.4 -0.389 37.6-106.5 -70.6 157.6 134.6 17.0 9.9 71 72 A P G > S+ 0 0 17 0, 0.0 3,-2.1 0, 0.0 4,-0.5 0.938 121.1 53.5 -52.5 -46.8 131.3 17.9 8.1 72 73 A S G 3 S+ 0 0 69 1,-0.3 3,-0.1 2,-0.2 94,-0.0 0.625 98.0 65.2 -65.1 -14.4 129.3 15.6 10.4 73 74 A E G < S+ 0 0 13 -3,-1.4 -1,-0.3 1,-0.2 38,-0.1 0.531 103.1 47.6 -84.6 -7.6 130.8 17.4 13.5 74 75 A T S X S+ 0 0 1 -3,-2.1 3,-2.3 -4,-0.4 4,-0.4 0.454 81.4 131.6-105.3 -8.4 128.9 20.5 12.4 75 76 A D T 3 S+ 0 0 117 -4,-0.5 -3,-0.0 1,-0.3 0, 0.0 -0.240 78.7 6.7 -50.4 120.3 125.6 18.8 11.8 76 77 A G T 3 S+ 0 0 67 -2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.284 121.7 68.3 90.5 -11.8 122.8 20.7 13.5 77 78 A V X + 0 0 11 -3,-2.3 3,-1.2 1,-0.1 4,-0.4 0.198 60.2 105.9-124.4 18.0 124.8 23.7 14.6 78 79 A R T 3> + 0 0 32 -4,-0.4 4,-1.9 1,-0.2 3,-0.4 0.695 61.9 80.7 -71.2 -17.1 125.6 25.3 11.2 79 80 A Y T 34>S+ 0 0 30 1,-0.2 5,-3.0 2,-0.2 -1,-0.2 0.750 85.2 61.2 -59.4 -26.0 123.0 28.0 11.9 80 81 A A T X45S+ 0 0 0 -3,-1.2 3,-1.0 3,-0.2 -1,-0.2 0.921 108.3 39.8 -67.8 -46.0 125.7 29.8 14.0 81 82 A M T 345S+ 0 0 3 -4,-0.4 -2,-0.2 -3,-0.4 -1,-0.2 0.807 113.3 57.1 -71.9 -29.9 128.1 30.2 11.0 82 83 A E T 3<5S- 0 0 21 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.378 111.9-124.7 -81.9 3.5 125.1 31.0 8.8 83 84 A R T < 5 + 0 0 18 -3,-1.0 2,-1.6 1,-0.2 -3,-0.2 0.835 51.8 159.3 55.8 38.2 124.3 33.9 11.2 84 85 A R > < + 0 0 68 -5,-3.0 3,-1.3 1,-0.2 -1,-0.2 -0.670 8.7 170.8 -89.4 79.3 120.7 32.7 11.9 85 86 A L T 3 + 0 0 25 -2,-1.6 754,-1.9 1,-0.2 -1,-0.2 0.519 66.8 64.2 -71.7 -6.7 120.5 34.6 15.1 86 87 A N T 3 S+ 0 0 51 751,-0.2 -1,-0.2 752,-0.2 287,-0.1 0.369 74.5 127.8 -95.7 4.4 116.7 34.0 15.6 87 88 A T < - 0 0 36 -3,-1.3 751,-2.3 -8,-0.1 2,-0.8 -0.396 58.6-138.8 -64.6 129.4 117.4 30.3 16.0 88 89 A V - 0 0 75 749,-0.2 749,-0.2 -2,-0.1 2,-0.1 -0.850 26.3-135.6 -91.8 107.4 115.9 28.8 19.2 89 90 A E - 0 0 38 -2,-0.8 2,-0.4 747,-0.2 7,-0.0 -0.379 15.0-159.9 -69.4 144.7 118.6 26.5 20.5 90 91 A Q + 0 0 169 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.753 35.4 135.1-127.2 81.4 117.8 23.0 21.7 91 92 A F - 0 0 41 -2,-0.4 15,-0.0 1,-0.1 14,-0.0 -0.753 62.5 -79.7-116.9 168.5 120.7 21.7 24.0 92 93 A D > - 0 0 59 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.275 44.6-110.1 -66.0 157.6 120.4 20.0 27.3 93 94 A T H > S+ 0 0 104 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.866 114.2 57.4 -59.8 -39.2 119.8 22.2 30.4 94 95 A Q H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 5,-0.4 0.932 111.8 41.0 -59.3 -46.4 123.3 21.7 31.9 95 96 A L H >>S+ 0 0 2 3,-0.2 4,-2.1 1,-0.2 5,-0.8 0.859 116.4 51.8 -69.3 -36.3 125.0 23.0 28.8 96 97 A S H X5S+ 0 0 42 -4,-2.1 4,-1.0 3,-0.2 -2,-0.2 0.930 115.5 37.5 -66.7 -49.3 122.4 25.8 28.4 97 98 A E H <5S+ 0 0 60 -4,-3.0 4,-0.2 3,-0.2 -2,-0.2 0.901 127.8 35.5 -70.0 -43.4 122.6 27.2 31.9 98 99 A T H <5S+ 0 0 15 -4,-2.0 -3,-0.2 -5,-0.4 -2,-0.2 0.936 138.0 11.1 -77.4 -47.4 126.4 26.7 32.3 99 100 A C H <5S+ 0 0 25 -4,-2.1 4,-0.3 -5,-0.4 -3,-0.2 0.519 124.6 47.9-114.4 -9.4 127.5 27.4 28.7 100 101 A G S < S+ 0 0 0 -5,-0.2 4,-1.8 1,-0.2 3,-0.4 0.643 106.4 70.1 -78.5 -16.4 125.5 26.8 22.9 106 107 A A H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.794 87.1 63.1 -69.0 -31.0 126.4 26.3 19.2 107 108 A R H 4 S+ 0 0 39 -3,-0.4 -1,-0.2 386,-0.2 -2,-0.2 0.830 108.0 44.2 -61.8 -31.5 129.7 28.2 19.8 108 109 A V H >4 S+ 0 0 14 -4,-0.4 3,-1.1 -3,-0.4 -2,-0.2 0.922 111.8 50.6 -77.6 -48.8 130.6 25.4 22.2 109 110 A A H 3< S+ 0 0 4 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.634 97.8 69.2 -66.7 -16.3 129.5 22.6 19.9 110 111 A L T 3< S+ 0 0 0 -4,-1.4 -78,-0.7 -5,-0.1 2,-0.3 0.116 95.3 70.4 -90.3 22.1 131.5 24.0 17.0 111 112 A Q E < -C 31 0C 23 -3,-1.1 2,-0.4 -80,-0.2 -80,-0.2 -0.968 63.3-155.1-138.1 150.5 134.7 23.1 18.8 112 113 A R E +C 30 0C 24 -82,-2.3 -82,-2.0 -2,-0.3 49,-0.1 -0.997 27.1 155.9-128.1 124.3 136.5 19.8 19.6 113 114 A R - 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