==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-MAY-03 1PBY . COMPND 2 MOLECULE: QUINOHEMOPROTEIN AMINE DEHYDROGENASE 60 KDA . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR S.DATTA,T.IKEDA,K.KANO,F.S.MATHEWS . 905 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 298 32.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 6 0.7 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 . 3 0.3 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 . 79 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 1 1 3 2 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 7 2 6 5 8 10 3 5 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 . 0 3 10 1 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 1 A V 0 0 90 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 148.6 44.7 43.3 1.9 2 2 A T > - 0 0 79 1,-0.1 4,-1.7 59,-0.0 5,-0.1 -0.694 360.0-120.8-107.2 162.2 47.0 45.8 3.7 3 3 A G H > S+ 0 0 6 -2,-0.2 4,-2.6 55,-0.2 5,-0.2 0.943 113.6 55.3 -64.5 -47.7 46.6 47.4 7.1 4 4 A E H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 106.3 54.4 -52.5 -36.9 46.6 50.9 5.7 5 5 A E H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.931 109.4 44.5 -65.1 -47.9 43.7 49.8 3.5 6 6 A V H X>S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 5,-2.1 0.871 110.3 56.1 -66.8 -36.4 41.6 48.6 6.4 7 7 A L H <>S+ 0 0 1 -4,-2.6 5,-2.3 3,-0.2 -1,-0.2 0.936 116.3 36.1 -60.0 -46.3 42.4 51.7 8.5 8 8 A Q H <5S+ 0 0 73 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.847 125.3 38.9 -76.1 -37.0 41.1 54.0 5.7 9 9 A N H <5S+ 0 0 126 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.695 135.6 9.1 -90.5 -20.3 38.2 51.8 4.5 10 10 A A T ><5S+ 0 0 21 -4,-2.5 3,-1.1 -5,-0.2 -3,-0.2 0.695 128.0 44.1-123.5 -53.9 36.9 50.4 7.8 11 11 A C G >> - 0 0 77 4,-2.3 3,-2.2 -2,-0.8 -1,-0.0 -0.133 25.7-101.5 -61.8 162.3 44.5 63.8 12.9 19 19 A E T 3 S+ 0 0 214 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.736 121.1 63.7 -59.0 -23.5 46.5 66.1 10.5 20 20 A D T 3 S- 0 0 119 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.495 119.7-108.5 -80.2 -2.1 49.8 64.8 11.9 21 21 A G S < S+ 0 0 33 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.005 79.8 125.4 100.9 -29.2 48.9 61.4 10.5 22 22 A R - 0 0 130 -5,-0.1 -4,-2.3 1,-0.1 2,-0.4 -0.329 56.4-128.0 -67.2 146.1 48.2 59.7 13.9 23 23 A W B > -A 17 0A 9 -6,-0.2 4,-2.3 -3,-0.1 -6,-0.2 -0.780 27.2-100.6 -99.3 138.8 44.9 58.0 14.4 24 24 A E T 4 S- 0 0 51 -8,-2.9 2,-2.6 -2,-0.4 -1,-0.1 -0.319 101.2 -13.3 -56.0 131.4 42.6 58.7 17.4 25 25 A R T >4 S+ 0 0 44 1,-0.2 3,-2.3 2,-0.1 -1,-0.2 -0.365 127.8 74.7 72.1 -61.6 43.0 55.9 20.0 26 26 A I G >4 S+ 0 0 18 -2,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.840 99.2 42.7 -49.0 -42.4 44.9 53.6 17.6 27 27 A D G 3< S+ 0 0 29 -4,-2.3 -1,-0.3 1,-0.2 -3,-0.1 0.220 103.7 68.1 -93.6 17.3 48.1 55.7 17.8 28 28 A A G < S+ 0 0 17 -3,-2.3 87,-1.6 -5,-0.1 2,-0.3 0.161 98.2 52.0-117.8 15.9 48.0 56.2 21.6 29 29 A A E < -B 114 0B 5 -3,-0.7 2,-0.3 85,-0.2 85,-0.2 -0.996 55.1-163.5-151.4 151.7 48.6 52.5 22.6 30 30 A R E +B 113 0B 8 83,-2.4 83,-2.1 -2,-0.3 2,-0.3 -0.991 25.6 146.2-134.2 141.5 51.0 49.6 21.9 31 31 A K E -B 112 0B 6 36,-1.6 38,-0.2 -2,-0.3 81,-0.2 -0.950 44.9 -71.4-162.0 177.4 50.4 46.0 22.7 32 32 A T > - 0 0 3 79,-0.7 4,-2.7 -2,-0.3 5,-0.2 -0.158 48.9-102.0 -74.5 169.3 51.1 42.4 21.6 33 33 A P H > S+ 0 0 13 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.910 126.9 50.2 -59.6 -40.8 49.6 40.6 18.6 34 34 A E H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 454,-0.2 0.875 108.8 53.6 -64.3 -37.5 47.1 38.9 20.9 35 35 A G H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.954 109.7 45.4 -62.5 -49.5 46.3 42.2 22.4 36 36 A W H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.856 108.5 58.1 -64.1 -32.5 45.5 43.8 19.0 37 37 A D H X S+ 0 0 53 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.955 107.1 47.9 -60.5 -48.3 43.5 40.7 18.1 38 38 A M H X S+ 0 0 39 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.896 111.2 50.0 -60.8 -41.7 41.2 41.3 21.1 39 39 A T H X S+ 0 0 27 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.945 112.9 45.3 -63.5 -47.8 40.8 45.0 20.4 40 40 A V H X S+ 0 0 11 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.890 109.8 56.0 -63.2 -38.1 39.8 44.4 16.7 41 41 A T H X S+ 0 0 30 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.908 106.6 50.5 -60.3 -40.9 37.5 41.5 17.8 42 42 A R H X>S+ 0 0 54 -4,-2.0 4,-3.0 2,-0.2 5,-0.9 0.864 105.8 55.1 -67.0 -34.9 35.7 44.0 20.1 43 43 A M H X5S+ 0 0 40 -4,-1.7 6,-2.0 3,-0.2 4,-1.1 0.933 113.9 42.1 -62.2 -43.0 35.3 46.5 17.3 44 44 A M H <5S+ 0 0 48 -4,-2.0 4,-0.5 4,-0.2 -2,-0.2 0.922 123.2 37.8 -67.8 -45.9 33.6 43.8 15.3 45 45 A R H <5S+ 0 0 101 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.944 127.8 28.3 -72.6 -52.5 31.5 42.4 18.2 46 46 A N H <5S+ 0 0 39 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.800 130.3 32.7 -83.4 -33.0 30.5 45.6 20.1 47 47 A H S < - 0 0 109 -2,-0.4 4,-2.9 1,-0.1 3,-0.4 -0.464 39.1-101.1 -78.5 158.2 36.2 40.0 6.1 53 53 A P H > S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.874 124.1 48.4 -47.4 -43.7 38.7 37.3 7.3 54 54 A E H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.866 112.8 47.4 -67.1 -38.0 41.5 38.8 5.2 55 55 A E H > S+ 0 0 57 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.921 111.0 51.1 -69.4 -44.9 40.8 42.3 6.4 56 56 A R H X S+ 0 0 79 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.952 114.0 44.1 -56.6 -51.2 40.6 41.3 10.1 57 57 A A H X S+ 0 0 64 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.880 113.0 52.7 -62.6 -38.7 44.0 39.4 9.8 58 58 A A H X S+ 0 0 15 -4,-2.1 4,-2.7 2,-0.2 -55,-0.2 0.924 111.2 43.8 -65.9 -45.9 45.6 42.3 7.8 59 59 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.926 114.7 49.4 -68.2 -41.9 44.7 45.1 10.3 60 60 A V H X S+ 0 0 18 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.915 114.6 45.8 -62.4 -40.8 45.7 42.9 13.3 61 61 A R H X S+ 0 0 54 -4,-2.2 4,-2.3 -5,-0.2 164,-0.2 0.924 111.7 51.4 -67.3 -43.4 49.0 42.1 11.6 62 62 A H H X S+ 0 0 41 -4,-2.7 4,-1.8 1,-0.2 5,-0.3 0.919 111.2 47.6 -59.1 -45.4 49.6 45.7 10.6 63 63 A L H X S+ 0 0 7 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.889 112.7 48.8 -64.2 -39.1 49.0 46.9 14.2 64 64 A S H < S+ 0 0 2 -4,-1.9 4,-0.3 -5,-0.2 162,-0.2 0.841 113.7 47.9 -68.9 -32.6 51.4 44.2 15.6 65 65 A D H < S+ 0 0 48 -4,-2.3 -2,-0.2 160,-0.2 -1,-0.2 0.748 127.5 22.9 -78.9 -27.4 54.0 45.2 13.0 66 66 A T H < S+ 0 0 58 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.645 132.4 32.3-114.2 -22.8 53.9 48.9 13.6 67 67 A R S < S+ 0 0 30 -4,-2.8 -36,-1.6 -5,-0.3 -2,-0.1 -0.206 90.7 115.7-132.1 44.3 52.5 49.4 17.1 68 68 A G - 0 0 7 -4,-0.3 2,-0.2 98,-0.2 -36,-0.2 -0.244 63.0 -96.4-100.5-170.1 53.7 46.3 19.0 69 69 A L - 0 0 10 -38,-0.2 157,-0.5 96,-0.1 2,-0.1 -0.645 32.3-111.5-105.1 164.2 56.1 45.8 22.0 70 70 A S - 0 0 30 -2,-0.2 4,-0.3 1,-0.1 -1,-0.1 -0.440 35.5-108.7 -84.2 169.1 59.8 45.0 22.0 71 71 A L S > S+ 0 0 25 1,-0.2 3,-1.5 2,-0.2 4,-0.3 0.885 120.5 57.3 -67.5 -35.1 60.7 41.5 23.2 72 72 A A G > S+ 0 0 57 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.863 97.6 61.2 -62.4 -36.3 62.2 43.1 26.4 73 73 A E G 3 S+ 0 0 48 1,-0.3 -1,-0.3 3,-0.0 -2,-0.2 0.593 102.1 53.5 -68.3 -9.0 58.8 44.8 27.2 74 74 A T G X S+ 0 0 1 -3,-1.5 3,-2.1 -4,-0.3 4,-0.4 0.453 78.9 132.4-102.5 -3.0 57.2 41.3 27.4 75 75 A E T < S+ 0 0 136 -3,-1.5 -3,-0.0 -4,-0.3 -4,-0.0 -0.199 74.9 11.8 -54.8 136.5 59.7 40.0 30.0 76 76 A E T 3 S+ 0 0 169 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.345 123.4 66.8 77.8 -3.9 58.2 38.2 33.0 77 77 A R X> + 0 0 44 -3,-2.1 3,-1.2 2,-0.1 4,-0.5 0.309 60.0 102.8-127.3 6.6 54.8 38.2 31.3 78 78 A R H >> + 0 0 39 -4,-0.4 4,-2.4 1,-0.2 3,-0.8 0.747 65.5 79.6 -65.2 -20.9 55.2 35.8 28.3 79 79 A Y H 3>>S+ 0 0 29 1,-0.3 5,-2.0 2,-0.2 4,-0.6 0.843 90.3 53.0 -53.6 -36.0 53.4 33.0 30.2 80 80 A I H <45S+ 0 0 8 -3,-1.2 409,-0.4 2,-0.2 -1,-0.3 0.816 110.6 46.0 -72.4 -30.3 50.1 34.6 29.3 81 81 A L H <<5S+ 0 0 2 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.861 114.4 48.0 -78.2 -36.4 50.9 34.7 25.5 82 82 A E H <5S- 0 0 13 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.528 104.3-128.2 -81.4 -7.2 52.2 31.1 25.6 83 83 A R T <5 - 0 0 14 -4,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.837 39.8-175.8 61.0 31.0 49.1 29.8 27.4 84 84 A E < - 0 0 38 -5,-2.0 -1,-0.2 -6,-0.2 178,-0.1 -0.453 18.9-156.5 -62.1 120.0 51.7 28.3 29.9 85 85 A P S S+ 0 0 44 0, 0.0 2,-1.1 0, 0.0 748,-0.2 0.757 82.0 66.8 -72.2 -25.3 49.6 26.2 32.4 86 86 A V S S+ 0 0 40 176,-0.1 2,-0.3 273,-0.1 -2,-0.1 -0.755 81.8 118.1 -98.1 88.5 52.3 26.4 35.1 87 87 A A - 0 0 8 -2,-1.1 2,-0.4 744,-0.4 746,-0.3 -0.940 52.8-140.3-148.5 169.0 52.3 30.1 35.9 88 88 A W - 0 0 159 -2,-0.3 2,-0.5 744,-0.1 743,-0.2 -0.996 18.6-164.4-136.2 127.0 51.7 32.8 38.6 89 89 A D + 0 0 13 741,-3.2 2,-0.3 -2,-0.4 743,-0.1 -0.954 22.9 135.1-121.8 128.5 50.0 36.1 37.9 90 90 A E - 0 0 112 -2,-0.5 4,-0.1 741,-0.1 -2,-0.1 -0.972 42.0-114.8-157.6 166.2 50.0 39.2 40.1 91 91 A G - 0 0 5 -2,-0.3 6,-0.1 2,-0.2 16,-0.0 -0.395 44.9 -91.3 -96.9-179.3 50.3 43.0 39.9 92 92 A P S S+ 0 0 77 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.717 105.0 5.4 -66.2 -23.1 53.1 45.2 41.5 93 93 A D S > S- 0 0 69 1,-0.1 4,-2.6 0, 0.0 5,-0.2 -0.965 83.7 -93.9-154.5 168.0 51.1 45.6 44.7 94 94 A T H > S+ 0 0 103 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.883 119.8 55.2 -53.2 -43.4 47.9 44.6 46.4 95 95 A S H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 113.4 39.0 -57.9 -49.5 45.9 47.6 45.1 96 96 A M H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.858 114.5 53.9 -71.9 -34.9 46.7 46.8 41.5 97 97 A T H X S+ 0 0 34 -4,-2.6 4,-1.6 3,-0.2 -2,-0.2 0.945 116.1 38.5 -64.3 -47.5 46.4 43.1 41.8 98 98 A Q H < S+ 0 0 61 -4,-2.7 4,-0.4 -5,-0.2 -2,-0.2 0.893 121.9 43.4 -69.9 -40.4 42.9 43.4 43.3 99 99 A T H < S+ 0 0 16 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.895 131.3 17.3 -74.2 -40.5 41.8 46.2 41.1 100 100 A C H < S+ 0 0 26 -4,-2.7 4,-0.2 -5,-0.2 -3,-0.2 0.471 124.4 48.7-115.2 -3.6 43.1 45.0 37.7 101 101 A G S < S+ 0 0 11 -4,-1.6 5,-0.2 -5,-0.4 733,-0.2 0.230 82.5 89.6-121.2 15.2 43.8 41.3 38.1 102 102 A R S S+ 0 0 4 -4,-0.4 735,-2.1 734,-0.1 736,-0.6 0.643 101.4 24.8 -86.7 -17.3 40.6 40.0 39.7 103 103 A C S S+ 0 0 20 1,-0.5 2,-0.2 733,-0.2 -2,-0.1 0.759 135.1 10.1-106.0 -63.8 38.7 39.3 36.4 104 104 A H S S- 0 0 24 -4,-0.2 -1,-0.5 1,-0.2 385,-0.1 -0.634 100.6 -71.0-110.3 171.6 41.5 38.7 33.9 105 105 A S > - 0 0 2 384,-2.1 3,-0.5 -2,-0.2 4,-0.4 -0.171 31.3-130.9 -59.5 153.9 45.2 38.3 34.4 106 106 A Y T >> S+ 0 0 0 1,-0.2 4,-2.3 -5,-0.2 3,-1.4 0.763 106.4 74.4 -75.9 -23.3 47.2 41.4 35.4 107 107 A A H 3> S+ 0 0 0 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.842 84.7 63.7 -55.4 -33.8 49.5 40.3 32.6 108 108 A R H <4 S+ 0 0 52 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.848 109.4 40.3 -59.1 -33.5 46.8 41.6 30.2 109 109 A V H X4 S+ 0 0 17 -3,-1.4 3,-1.2 -4,-0.4 -2,-0.2 0.935 111.4 54.2 -78.2 -51.8 47.6 45.0 31.7 110 110 A A H 3< S+ 0 0 8 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.620 98.7 65.6 -60.4 -16.8 51.4 44.7 31.9 111 111 A L T 3< S+ 0 0 1 -4,-1.4 -79,-0.7 -5,-0.2 2,-0.3 -0.010 93.7 76.2 -97.7 30.0 51.6 43.9 28.2 112 112 A Q E < -B 31 0B 22 -3,-1.2 2,-0.4 -81,-0.2 -81,-0.2 -0.962 55.9-164.5-137.6 154.8 50.4 47.3 27.1 113 113 A R E +B 30 0B 38 -83,-2.1 -83,-2.4 -2,-0.3 2,-0.3 -0.995 22.8 161.0-138.5 130.5 51.8 50.8 26.9 114 114 A R E -Bc 29 161B 13 46,-2.6 48,-0.6 -2,-0.4 -85,-0.2 -0.959 40.7 -95.3-148.3 166.5 49.6 53.9 26.5 115 115 A T > - 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