==== 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 ELECTRON TRANSPORT PROTEIN 09-JUL-01 1JJU . COMPND 2 MOLECULE: QUINOHEMOPROTEIN AMINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR S.DATTA,Y.MORI,K.TAKAGI,K.KAWAGUCHI,Z.-W.CHEN,K.KANO, . 905 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34558.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 66.7 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 . 299 33.0 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 . 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 . 76 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.9 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 1 1 3 1 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 5 6 8 10 4 3 4 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 91 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 132.2 94.0 6.6 51.6 2 2 A T > - 0 0 80 1,-0.1 4,-1.8 59,-0.0 5,-0.2 -0.683 360.0-118.2-107.3 163.8 96.4 4.2 49.9 3 3 A G H > S+ 0 0 6 55,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.931 115.0 55.3 -63.0 -46.2 96.2 2.5 46.5 4 4 A E H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 106.7 53.8 -53.2 -39.8 96.1 -1.0 48.0 5 5 A E H > S+ 0 0 92 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.935 111.0 41.5 -63.1 -50.4 93.1 0.2 50.0 6 6 A V H X>S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 5,-2.4 0.884 112.2 57.5 -66.3 -36.4 91.0 1.4 47.0 7 7 A L H <>S+ 0 0 1 -4,-2.8 5,-1.2 3,-0.2 -1,-0.2 0.875 117.5 32.6 -60.5 -39.1 92.1 -1.7 45.1 8 8 A Q H <5S+ 0 0 72 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.825 126.2 40.3 -88.1 -35.1 90.6 -3.9 47.8 9 9 A N H <5S+ 0 0 120 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.704 135.7 8.4 -88.5 -22.4 87.7 -1.8 48.9 10 10 A A T ><5S+ 0 0 21 -4,-2.8 3,-1.0 -5,-0.3 4,-0.3 0.694 127.6 45.9-123.9 -51.3 86.5 -0.5 45.5 11 11 A C G >> - 0 0 83 4,-2.5 3,-3.0 -2,-0.7 0, 0.0 -0.188 26.1-106.3 -67.8 161.8 94.2 -14.0 41.2 19 19 A E T 3 S+ 0 0 215 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.784 123.9 67.0 -58.7 -22.9 96.0 -16.4 43.5 20 20 A D T 3 S- 0 0 121 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.658 115.5-120.7 -70.1 -16.6 99.0 -15.0 41.6 21 21 A G S < S+ 0 0 33 -3,-3.0 -2,-0.1 1,-0.4 -1,-0.1 -0.084 73.9 123.9 100.5 -34.1 98.3 -11.7 43.2 22 22 A R - 0 0 124 -5,-0.1 -4,-2.5 1,-0.1 -1,-0.4 -0.198 59.4-124.4 -60.4 150.3 97.8 -9.9 39.9 23 23 A W B > -A 17 0A 9 -6,-0.2 4,-1.9 -3,-0.1 -6,-0.2 -0.788 28.3 -99.0-101.4 142.5 94.5 -8.1 39.3 24 24 A E T 4 S- 0 0 56 -8,-2.8 2,-2.8 -2,-0.3 -1,-0.1 -0.372 101.8 -16.4 -59.4 127.6 92.2 -8.7 36.3 25 25 A R T >4 S+ 0 0 48 1,-0.2 3,-2.6 -2,-0.1 4,-0.3 -0.315 124.2 83.7 72.9 -58.0 92.9 -6.0 33.7 26 26 A I G >4 S+ 0 0 19 -2,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.850 98.3 37.0 -41.5 -49.0 94.7 -3.8 36.2 27 27 A D G 3< S+ 0 0 33 -4,-1.9 -1,-0.3 1,-0.2 -3,-0.1 0.343 100.4 76.4 -91.6 8.4 98.0 -5.7 35.7 28 28 A A G < S+ 0 0 14 -3,-2.6 87,-1.5 -5,-0.2 2,-0.3 0.303 98.1 42.1 -98.8 9.9 97.6 -6.3 32.0 29 29 A A E < -B 114 0B 3 -3,-0.6 2,-0.4 -4,-0.3 85,-0.2 -0.996 56.7-156.9-158.0 149.6 98.6 -2.8 31.0 30 30 A R E +B 113 0B 8 83,-3.0 83,-2.6 -2,-0.3 2,-0.3 -0.979 27.3 152.1-125.9 137.5 100.9 0.1 31.7 31 31 A K E -B 112 0B 7 36,-1.6 38,-0.2 -2,-0.4 81,-0.2 -0.918 42.9 -75.7-152.6 177.0 100.2 3.8 30.9 32 32 A T > - 0 0 4 79,-0.7 4,-2.3 -2,-0.3 5,-0.2 -0.102 48.9-100.2 -73.4 173.0 100.9 7.4 32.0 33 33 A P H > S+ 0 0 12 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.919 127.0 49.9 -62.1 -40.7 99.4 9.1 35.0 34 34 A E H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 454,-0.2 0.868 108.6 54.4 -63.5 -37.2 96.9 10.9 32.8 35 35 A G H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 108.7 45.5 -63.5 -48.6 96.0 7.5 31.2 36 36 A W H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.848 110.2 57.4 -64.1 -31.7 95.2 5.9 34.6 37 37 A D H X S+ 0 0 45 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.959 105.7 47.6 -63.6 -50.1 93.2 8.9 35.5 38 38 A M H X S+ 0 0 39 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.870 111.8 52.0 -58.8 -37.1 91.0 8.6 32.4 39 39 A T H X S+ 0 0 30 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.925 110.5 46.6 -66.7 -43.3 90.5 4.9 33.2 40 40 A V H X S+ 0 0 11 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.886 109.6 55.5 -65.4 -37.6 89.5 5.6 36.8 41 41 A T H X S+ 0 0 31 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.920 107.2 49.6 -60.5 -43.5 87.2 8.4 35.6 42 42 A R H X>S+ 0 0 53 -4,-2.1 4,-3.0 2,-0.2 5,-1.0 0.863 107.2 54.3 -65.2 -35.9 85.4 5.9 33.3 43 43 A M H X5S+ 0 0 42 -4,-1.7 6,-1.9 3,-0.2 4,-0.7 0.924 114.7 41.1 -61.8 -45.1 85.0 3.4 36.1 44 44 A M H <5S+ 0 0 48 -4,-2.1 4,-0.3 4,-0.2 -2,-0.2 0.924 124.5 37.9 -66.4 -47.3 83.3 6.0 38.2 45 45 A R H <5S+ 0 0 97 -4,-3.1 3,-0.4 -5,-0.2 -2,-0.2 0.965 128.4 26.5 -70.9 -58.0 81.3 7.4 35.3 46 46 A N H <5S+ 0 0 40 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.876 130.5 35.2 -78.2 -40.4 80.3 4.3 33.3 47 47 A H S < - 0 0 114 -2,-0.4 4,-2.7 1,-0.1 5,-0.3 -0.416 38.6-100.5 -75.0 157.4 85.8 10.0 47.3 53 53 A P H > S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.873 123.0 44.1 -46.2 -45.4 88.2 12.7 46.2 54 54 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.864 112.6 50.5 -70.9 -37.5 91.1 11.2 48.2 55 55 A E H > S+ 0 0 55 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.935 110.7 50.3 -64.6 -46.3 90.5 7.6 47.1 56 56 A R H X S+ 0 0 85 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.946 113.8 43.8 -55.9 -52.2 90.3 8.6 43.5 57 57 A A H X S+ 0 0 58 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.863 112.3 57.5 -63.1 -33.8 93.6 10.5 43.7 58 58 A A H X S+ 0 0 14 -4,-2.2 4,-2.9 2,-0.2 -55,-0.3 0.968 110.6 37.0 -63.9 -57.1 95.0 7.6 45.7 59 59 A I H X S+ 0 0 4 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.892 115.3 55.3 -65.5 -37.1 94.5 4.8 43.2 60 60 A V H X S+ 0 0 18 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.951 113.4 42.6 -57.6 -46.4 95.3 7.0 40.3 61 61 A R H X S+ 0 0 47 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.913 113.6 51.4 -65.1 -44.4 98.6 7.8 42.0 62 62 A H H X S+ 0 0 42 -4,-2.9 4,-1.9 1,-0.2 5,-0.3 0.872 110.1 49.3 -61.5 -38.7 99.2 4.2 43.0 63 63 A L H X S+ 0 0 10 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.857 111.3 49.5 -70.0 -34.3 98.7 3.0 39.5 64 64 A S H < S+ 0 0 2 -4,-1.7 4,-0.3 -5,-0.3 162,-0.2 0.785 113.0 47.5 -75.1 -26.3 101.1 5.6 38.1 65 65 A D H < S+ 0 0 50 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.825 126.6 25.2 -83.0 -32.7 103.7 4.6 40.7 66 66 A T H < S+ 0 0 58 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.781 132.3 30.8-102.1 -32.4 103.5 0.9 40.1 67 67 A R S < S+ 0 0 29 -4,-2.4 -36,-1.6 -5,-0.3 -2,-0.1 -0.207 90.9 115.7-124.9 44.7 102.1 0.5 36.6 68 68 A G - 0 0 5 -4,-0.3 2,-0.2 98,-0.2 -36,-0.2 -0.186 61.3-100.9 -97.9-168.2 103.5 3.5 34.7 69 69 A L - 0 0 11 -38,-0.2 157,-0.6 96,-0.1 2,-0.2 -0.677 31.2-106.6-112.1 167.8 105.9 3.9 31.8 70 70 A S > - 0 0 31 -2,-0.2 3,-0.5 1,-0.1 4,-0.3 -0.497 34.4-111.3 -85.8 164.0 109.6 4.9 31.7 71 71 A L G >> S+ 0 0 21 1,-0.2 3,-1.8 2,-0.2 4,-0.5 0.893 119.8 58.8 -63.9 -36.3 110.4 8.3 30.5 72 72 A A G >4 S+ 0 0 59 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.808 98.2 60.5 -61.9 -29.0 112.0 6.7 27.4 73 73 A E G <4 S+ 0 0 43 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.554 102.5 51.3 -76.5 -7.6 108.6 5.1 26.6 74 74 A T G X4 S+ 0 0 1 -3,-1.8 3,-2.2 -4,-0.3 4,-0.4 0.475 80.0 128.8-104.4 -5.7 106.9 8.5 26.3 75 75 A E T << S+ 0 0 128 -3,-0.7 -3,-0.0 -4,-0.5 -4,-0.0 -0.191 76.4 15.2 -53.0 139.2 109.5 9.9 23.9 76 76 A E T 3 S+ 0 0 167 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.158 123.8 65.1 81.5 -18.5 108.0 11.4 20.8 77 77 A R X + 0 0 45 -3,-2.2 3,-1.0 1,-0.1 4,-0.5 0.299 62.1 100.9-119.1 10.5 104.6 11.5 22.5 78 78 A R T >> + 0 0 38 -4,-0.4 4,-2.1 1,-0.2 3,-0.9 0.735 66.3 79.3 -68.4 -20.8 105.0 14.0 25.4 79 79 A Y H 3>>S+ 0 0 33 1,-0.3 5,-1.8 2,-0.2 4,-0.6 0.853 92.0 51.6 -54.4 -35.1 103.3 16.7 23.4 80 80 A I H <45S+ 0 0 9 -3,-1.0 409,-0.4 1,-0.2 -1,-0.3 0.766 109.6 48.1 -75.1 -26.4 99.9 15.1 24.3 81 81 A L H <45S+ 0 0 1 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.823 113.4 48.0 -81.1 -31.5 100.7 15.0 28.0 82 82 A E H <5S- 0 0 10 -4,-2.1 -2,-0.2 825,-0.1 -1,-0.2 0.501 103.4-126.3 -86.4 -6.1 101.9 18.7 28.0 83 83 A R T <5 - 0 0 15 -4,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.819 40.8-174.3 61.5 27.2 98.9 20.0 26.1 84 84 A E < - 0 0 39 -5,-1.8 -1,-0.2 -6,-0.2 178,-0.1 -0.403 17.3-153.9 -56.9 115.1 101.6 21.5 23.8 85 85 A P S S+ 0 0 43 0, 0.0 2,-1.2 0, 0.0 748,-0.2 0.817 83.1 64.2 -64.3 -32.0 99.6 23.6 21.3 86 86 A V S S+ 0 0 38 176,-0.1 2,-0.3 273,-0.1 -2,-0.1 -0.698 81.3 125.4 -96.4 85.1 102.2 23.3 18.5 87 87 A A - 0 0 8 -2,-1.2 2,-0.4 744,-0.4 746,-0.3 -0.859 49.2-145.0-137.8 170.3 102.1 19.6 17.8 88 88 A W - 0 0 144 -2,-0.3 2,-0.5 744,-0.1 743,-0.2 -0.988 19.3-167.1-138.6 124.6 101.6 16.9 15.1 89 89 A D + 0 0 13 741,-2.8 2,-0.3 -2,-0.4 743,-0.1 -0.954 21.4 133.3-123.4 130.6 99.9 13.6 15.8 90 90 A E - 0 0 112 -2,-0.5 4,-0.1 741,-0.1 -2,-0.1 -0.979 42.6-110.5-160.8 165.5 99.8 10.5 13.7 91 91 A G - 0 0 3 -2,-0.3 6,-0.1 2,-0.3 16,-0.0 -0.301 44.0 -91.6 -93.4-178.4 100.2 6.7 13.8 92 92 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.728 104.5 5.7 -67.6 -23.5 103.0 4.5 12.3 93 93 A D S > S- 0 0 70 1,-0.1 4,-2.6 0, 0.0 -2,-0.3 -0.944 83.1 -94.7-151.9 172.0 101.1 3.9 9.1 94 94 A T H > S+ 0 0 103 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.921 120.3 53.3 -56.9 -48.1 98.0 5.0 7.2 95 95 A S H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.943 113.9 41.0 -53.5 -53.0 95.9 2.1 8.5 96 96 A M H >>S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.5 0.891 114.4 52.0 -65.7 -39.7 96.7 2.8 12.1 97 97 A T H X5S+ 0 0 42 -4,-2.6 4,-1.9 3,-0.2 -1,-0.2 0.941 113.8 44.9 -61.1 -47.2 96.3 6.6 11.8 98 98 A Q H <5S+ 0 0 58 -4,-3.0 4,-0.3 -5,-0.2 -2,-0.2 0.912 120.4 36.1 -65.4 -47.0 92.9 6.1 10.2 99 99 A T H <5S+ 0 0 22 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.728 131.6 25.1 -84.7 -16.5 91.5 3.5 12.5 100 100 A C H <5S+ 0 0 24 -4,-2.2 4,-0.3 -5,-0.2 -3,-0.2 0.590 121.1 45.7-120.9 -15.4 93.0 4.8 15.8 101 101 A G S < - 0 0 3 384,-2.9 3,-0.8 -2,-0.2 4,-0.4 -0.200 32.4-129.8 -59.6 151.9 95.1 11.4 19.2 106 106 A Y T >> S+ 0 0 0 -5,-0.2 4,-2.1 1,-0.2 3,-1.4 0.768 106.7 74.5 -73.1 -23.2 97.1 8.4 18.1 107 107 A A H 3> S+ 0 0 0 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.789 84.0 63.8 -58.2 -29.0 99.4 9.4 21.0 108 108 A R H <4 S+ 0 0 54 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.842 108.5 42.2 -64.7 -29.9 96.7 8.1 23.4 109 109 A V H X4 S+ 0 0 17 -3,-1.4 3,-1.2 -4,-0.4 -2,-0.2 0.949 110.2 53.5 -78.9 -52.0 97.5 4.7 21.9 110 110 A A H 3< S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.606 99.2 65.9 -60.3 -15.1 101.3 4.9 21.8 111 111 A L T 3< S+ 0 0 2 -4,-1.1 -79,-0.7 -5,-0.2 2,-0.3 -0.006 92.8 78.3 -98.6 29.3 101.4 5.8 25.5 112 112 A Q E < -B 31 0B 22 -3,-1.2 2,-0.4 -81,-0.2 -81,-0.2 -0.981 56.8-162.6-138.5 149.2 100.1 2.4 26.6 113 113 A R E +B 30 0B 42 -83,-2.6 -83,-3.0 -2,-0.3 2,-0.3 -0.998 23.5 157.4-132.9 127.2 101.6 -1.0 26.9 114 114 A R E -Bc 29 161B 14 46,-2.4 48,-0.7 -2,-0.4 -85,-0.2 -0.910 42.2 -95.8-145.0 172.0 99.5 -4.2 27.2 115 115 A T > - 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