==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JAN-11 3QDL . COMPND 2 MOLECULE: OXYGEN-INSENSITIVE NADPH NITROREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR A.L.ROJAS,M.MARTINEZ-JULVEZ,I.N.OLEKHNOVICH,P.S.HOFFMAN,J.SA . 686 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 58 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 6 0 4 0 6 2 4 0 4 0 2 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 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 0 PARALLEL BRIDGES PER LADDER . 4 0 0 0 4 7 1 0 0 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 0 0 0 4 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 1 A M 0 0 138 0, 0.0 291,-0.2 0, 0.0 292,-0.1 0.000 360.0 360.0 360.0 42.3 24.8 21.0 13.7 2 2 A K - 0 0 124 289,-0.2 289,-0.2 290,-0.2 288,-0.1 -0.341 360.0-157.4 -74.2 156.5 25.0 17.2 14.4 3 3 A F S S+ 0 0 28 287,-2.1 2,-0.3 1,-0.3 288,-0.1 0.734 77.6 19.7-101.4 -35.2 22.0 15.1 15.4 4 4 A L S S- 0 0 11 286,-1.4 -1,-0.3 180,-0.0 2,-0.1 -0.980 78.8-117.4-137.9 147.7 23.8 12.2 17.1 5 5 A D > - 0 0 68 -2,-0.3 4,-3.3 -3,-0.1 3,-0.3 -0.284 41.8 -91.2 -79.4 170.9 27.3 11.8 18.6 6 6 A Q H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 126.8 50.3 -47.8 -52.3 29.9 9.3 17.3 7 7 A E H > S+ 0 0 144 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 116.1 43.0 -53.7 -45.0 28.8 6.5 19.7 8 8 A K H > S+ 0 0 92 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.897 113.0 50.4 -71.3 -43.1 25.2 7.0 18.5 9 9 A R H X S+ 0 0 26 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.851 112.5 48.4 -64.5 -35.6 26.0 7.4 14.8 10 10 A R H X S+ 0 0 146 -4,-2.6 4,-1.0 -5,-0.3 -2,-0.2 0.908 110.1 51.2 -68.2 -43.6 28.1 4.2 15.0 11 11 A Q H >X S+ 0 0 86 -4,-1.9 4,-2.5 -5,-0.2 3,-0.7 0.903 105.9 56.0 -59.7 -42.0 25.3 2.3 16.8 12 12 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 -1,-0.2 0.892 100.6 57.1 -59.3 -43.3 22.8 3.3 14.2 13 13 A L H 3< S+ 0 0 9 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.800 113.5 41.5 -56.6 -30.7 24.9 1.8 11.4 14 14 A N H << S+ 0 0 71 -4,-1.0 -2,-0.2 -3,-0.7 -1,-0.2 0.797 110.5 54.7 -86.4 -34.1 24.6 -1.5 13.3 15 15 A E H < S+ 0 0 34 -4,-2.5 2,-1.3 -5,-0.1 -2,-0.2 0.813 90.8 82.5 -68.1 -31.9 20.9 -1.1 14.2 16 16 A R S < S+ 0 0 3 -4,-2.6 2,-0.3 -5,-0.2 -1,-0.1 -0.676 73.0 134.6 -69.8 97.7 20.3 -0.7 10.5 17 17 A H - 0 0 6 -2,-1.3 2,-1.4 110,-0.2 110,-0.6 -0.940 69.0 -87.8-145.4 164.1 20.3 -4.4 9.7 18 18 A S B -a 127 0A 39 -2,-0.3 2,-0.6 110,-0.1 110,-0.2 -0.640 44.1-149.3 -80.4 92.5 18.3 -7.0 7.8 19 19 A C - 0 0 4 108,-2.3 145,-0.1 -2,-1.4 3,-0.1 -0.515 11.2-168.1 -68.4 109.7 15.7 -8.0 10.4 20 20 A K + 0 0 137 -2,-0.6 2,-0.3 1,-0.1 -1,-0.2 0.594 69.4 25.6 -81.4 -15.0 14.9 -11.6 9.6 21 21 A M - 0 0 92 141,-0.1 140,-0.8 58,-0.1 141,-0.4 -0.984 69.8-152.6-151.4 143.3 11.8 -11.8 11.9 22 22 A F B -F 160 0B 4 -2,-0.3 2,-1.2 54,-0.2 138,-0.2 -0.815 31.1-100.8-120.7 154.5 9.3 -9.3 13.2 23 23 A D > - 0 0 42 136,-3.7 3,-2.0 -2,-0.3 136,-0.3 -0.615 31.7-166.0 -73.6 97.6 7.0 -8.9 16.2 24 24 A S T 3 S+ 0 0 77 -2,-1.2 -1,-0.2 1,-0.3 56,-0.0 0.702 86.1 59.0 -59.4 -21.8 3.7 -10.0 14.7 25 25 A H T 3 S+ 0 0 164 -3,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.552 85.2 91.9 -86.4 -10.4 1.9 -8.5 17.8 26 26 A Y < - 0 0 62 -3,-2.0 2,-0.4 133,-0.2 133,-0.2 -0.789 64.2-161.6 -88.0 117.7 3.3 -5.0 17.1 27 27 A E - 0 0 171 -2,-0.6 2,-0.5 131,-0.1 55,-0.1 -0.824 18.7-117.3-103.4 139.4 1.0 -3.0 15.0 28 28 A F - 0 0 25 -2,-0.4 2,-0.1 53,-0.2 -2,-0.0 -0.616 26.0-143.3 -75.4 121.6 1.9 0.2 13.1 29 29 A S > - 0 0 54 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.313 27.9-107.5 -70.5 163.3 0.1 3.3 14.1 30 30 A S H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.828 122.4 57.1 -61.0 -33.1 -0.9 6.0 11.6 31 31 A T H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 108.4 45.2 -63.1 -45.1 1.9 8.1 12.9 32 32 A E H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.946 115.4 46.0 -65.1 -50.2 4.5 5.4 12.2 33 33 A L H X S+ 0 0 20 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.893 112.3 51.9 -57.8 -44.8 3.1 4.7 8.7 34 34 A E H X S+ 0 0 105 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.927 108.7 48.3 -62.4 -48.7 2.9 8.4 7.8 35 35 A E H X S+ 0 0 14 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.898 109.7 53.3 -59.1 -42.0 6.5 9.3 8.8 36 36 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.930 107.9 51.1 -57.8 -46.4 7.8 6.3 6.8 37 37 A A H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.809 110.6 49.6 -58.1 -33.7 5.9 7.6 3.8 38 38 A E H X S+ 0 0 40 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.829 107.6 52.9 -76.9 -33.3 7.5 10.9 4.3 39 39 A I H < S+ 0 0 2 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.896 115.2 42.7 -63.9 -41.5 11.0 9.4 4.6 40 40 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 -5,-0.2 -2,-0.2 0.964 116.0 46.9 -66.4 -55.8 10.3 7.7 1.2 41 41 A R H 3< S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.840 107.9 55.7 -55.1 -41.4 8.8 10.7 -0.4 42 42 A L T 3< S+ 0 0 16 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.1 0.278 82.2 122.5 -83.9 12.3 11.5 13.2 0.7 43 43 A S < - 0 0 0 -3,-1.5 2,-0.1 1,-0.1 69,-0.1 -0.372 64.3-109.2 -73.9 152.5 14.3 11.1 -0.9 44 44 A P + 0 0 6 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.457 37.5 171.9 -83.3 156.2 16.6 12.7 -3.5 45 45 A S > - 0 0 20 -2,-0.1 3,-2.1 66,-0.1 252,-0.0 -0.974 43.2 -78.2-157.3 153.4 16.7 11.9 -7.2 46 46 A S G > S- 0 0 38 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 -0.302 116.0 -7.9 -54.7 132.0 18.4 13.1 -10.4 47 47 A Y G 3 S- 0 0 100 1,-0.3 -1,-0.3 2,-0.1 0, 0.0 0.664 118.2 -81.5 47.6 22.1 16.6 16.3 -11.7 48 48 A N G < S+ 0 0 62 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.872 85.1 150.2 53.7 43.6 14.0 15.6 -9.0 49 49 A T < - 0 0 23 -3,-2.0 3,-0.1 2,-0.0 -2,-0.1 0.749 31.4-164.6 -74.6 -27.3 12.3 13.0 -11.3 50 50 A Q - 0 0 12 1,-0.2 2,-3.0 -4,-0.2 -5,-0.0 0.855 8.8-176.4 44.2 50.6 11.1 11.0 -8.3 51 51 A P + 0 0 0 0, 0.0 38,-2.1 0, 0.0 2,-0.3 -0.166 45.0 97.6 -79.2 54.0 10.3 8.0 -10.6 52 52 A W E -B 88 0A 0 -2,-3.0 2,-0.3 36,-0.2 36,-0.2 -0.911 51.5-163.4-136.2 155.7 8.9 6.0 -7.7 53 53 A H E -B 87 0A 41 34,-2.0 34,-2.7 -2,-0.3 2,-0.6 -0.954 14.8-150.1-140.9 129.8 5.6 5.0 -6.1 54 54 A F E -Bc 86 344A 0 289,-2.5 291,-2.5 -2,-0.3 2,-0.6 -0.863 5.9-162.1-103.3 120.5 5.5 3.5 -2.6 55 55 A V E -Bc 85 345A 4 30,-2.0 30,-1.9 -2,-0.6 2,-0.8 -0.903 9.1-150.7-103.7 115.1 2.6 1.1 -1.9 56 56 A M E -Bc 84 346A 1 289,-2.9 291,-2.6 -2,-0.6 2,-0.7 -0.757 12.1-167.0 -88.4 108.0 2.0 0.6 1.9 57 57 A V E +B 83 0A 0 26,-2.3 26,-2.6 -2,-0.8 289,-0.0 -0.866 29.2 144.0-100.7 115.0 0.6 -2.9 2.5 58 58 A T + 0 0 53 -2,-0.7 2,-0.3 24,-0.2 -1,-0.2 0.527 36.5 107.8-122.1 -18.5 -0.8 -3.4 6.0 59 59 A D > - 0 0 85 1,-0.1 4,-2.7 2,-0.1 5,-0.3 -0.523 64.4-143.1 -65.8 125.3 -3.8 -5.7 5.3 60 60 A K H > S+ 0 0 162 -2,-0.3 4,-2.7 1,-0.2 -1,-0.1 0.864 96.3 45.6 -64.5 -42.1 -2.8 -9.1 6.7 61 61 A D H > S+ 0 0 90 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.869 115.6 47.9 -66.5 -39.0 -4.5 -11.3 4.0 62 62 A L H > S+ 0 0 27 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.893 116.7 42.1 -69.3 -42.3 -3.2 -9.0 1.2 63 63 A K H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.877 112.1 56.5 -68.4 -40.0 0.4 -9.1 2.7 64 64 A K H X S+ 0 0 108 -4,-2.7 4,-2.6 -5,-0.3 -2,-0.2 0.870 104.4 52.3 -58.4 -42.5 -0.1 -12.9 3.4 65 65 A Q H < S+ 0 0 67 -4,-2.0 4,-0.3 2,-0.2 -1,-0.2 0.881 111.7 45.7 -62.7 -41.1 -0.8 -13.5 -0.3 66 66 A I H >< S+ 0 0 0 -4,-1.3 3,-1.1 1,-0.2 -2,-0.2 0.890 111.8 54.1 -65.1 -40.1 2.4 -11.6 -1.2 67 67 A A H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 -2,-0.2 0.905 97.7 62.1 -60.4 -45.7 4.2 -13.7 1.5 68 68 A A T 3< S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.645 109.0 44.1 -57.2 -16.7 3.0 -17.0 0.1 69 69 A H T < S+ 0 0 64 -3,-1.1 65,-2.6 -4,-0.3 -1,-0.3 -0.038 91.4 82.2-120.6 29.1 5.0 -16.2 -3.1 70 70 A S S X S- 0 0 0 -3,-2.2 3,-2.0 1,-0.3 2,-0.2 0.168 80.9-150.4-114.0 13.1 8.2 -14.8 -1.5 71 71 A Y G > S+ 0 0 134 1,-0.3 3,-1.6 -3,-0.2 -1,-0.3 -0.335 77.0 7.3 59.9-120.2 9.7 -18.3 -0.9 72 72 A F G 3 S+ 0 0 152 1,-0.3 4,-0.3 -2,-0.2 -1,-0.3 0.532 127.5 64.7 -71.0 -8.5 11.9 -18.4 2.2 73 73 A N G <> S+ 0 0 19 -3,-2.0 4,-2.9 59,-0.3 -1,-0.3 0.432 74.6 99.4 -91.1 -0.9 10.8 -14.9 3.0 74 74 A E H <> S+ 0 0 60 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.907 82.4 42.4 -54.2 -56.8 7.2 -16.0 3.6 75 75 A E H > S+ 0 0 106 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 116.1 51.4 -62.1 -37.9 7.2 -16.2 7.4 76 76 A M H > S+ 0 0 11 -4,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.934 110.0 47.2 -61.9 -51.6 9.2 -13.0 7.6 77 77 A I H < S+ 0 0 0 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.917 113.2 50.2 -56.6 -46.4 6.8 -11.0 5.4 78 78 A K H < S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.891 109.5 51.5 -56.3 -44.2 3.9 -12.5 7.4 79 79 A S H < S+ 0 0 13 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.754 90.7 102.9 -64.8 -29.5 5.5 -11.4 10.7 80 80 A A < - 0 0 4 -4,-1.4 78,-0.2 -3,-0.4 3,-0.1 -0.239 69.4-140.2 -67.5 144.2 6.0 -7.8 9.4 81 81 A S S S+ 0 0 17 76,-1.4 2,-0.3 1,-0.2 -53,-0.2 0.867 88.2 1.3 -66.3 -40.9 3.8 -4.9 10.6 82 82 A A E - D 0 157A 1 75,-1.6 75,-2.7 -55,-0.1 2,-0.5 -0.984 63.0-145.6-145.7 155.0 3.9 -3.5 7.1 83 83 A L E -BD 57 156A 0 -26,-2.6 -26,-2.3 -2,-0.3 2,-0.4 -0.979 14.5-152.4-124.7 117.1 5.3 -4.4 3.7 84 84 A M E -BD 56 155A 0 71,-3.3 71,-2.5 -2,-0.5 2,-0.6 -0.716 2.1-155.4 -85.8 136.6 6.4 -1.6 1.4 85 85 A V E -BD 55 154A 2 -30,-1.9 -30,-2.0 -2,-0.4 2,-1.0 -0.957 9.4-151.0-111.7 109.2 6.3 -2.3 -2.3 86 86 A V E -BD 54 153A 0 67,-2.3 66,-2.2 -2,-0.6 67,-1.0 -0.717 18.8-165.7 -85.8 102.5 8.8 -0.0 -4.1 87 87 A C E -BD 53 151A 7 -34,-2.7 -34,-2.0 -2,-1.0 2,-0.4 -0.721 12.9-137.9 -94.8 137.0 7.4 0.5 -7.6 88 88 A S E -BD 52 150A 19 62,-3.1 62,-0.7 -2,-0.4 -36,-0.2 -0.757 26.1-117.0 -88.1 137.3 9.3 1.9 -10.5 89 89 A L - 0 0 30 -38,-2.1 16,-0.1 -2,-0.4 -1,-0.1 -0.318 29.2-104.0 -65.4 152.4 7.5 4.5 -12.7 90 90 A R >> - 0 0 102 1,-0.1 4,-1.2 15,-0.0 3,-1.1 -0.532 26.2-123.2 -68.6 145.7 6.8 3.8 -16.4 91 91 A P H 3> S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.779 112.7 62.6 -61.8 -26.4 9.2 5.7 -18.8 92 92 A S H 34 S+ 0 0 57 1,-0.2 -3,-0.0 2,-0.2 -2,-0.0 0.727 108.0 42.0 -69.5 -24.7 6.1 7.3 -20.4 93 93 A E H <4 S+ 0 0 128 -3,-1.1 -1,-0.2 1,-0.1 -4,-0.0 0.619 109.2 59.6 -94.3 -19.9 5.3 8.9 -17.0 94 94 A L H < S+ 0 0 11 -4,-1.2 -2,-0.2 2,-0.1 -1,-0.1 0.966 105.9 51.5 -67.7 -56.0 8.9 9.8 -16.4 95 95 A L < 0 0 11 -4,-2.2 348,-0.1 1,-0.1 347,-0.0 -0.353 360.0 360.0 -75.2 159.2 9.1 11.9 -19.6 96 96 A P 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.228 360.0 360.0 -70.0 360.0 6.4 14.6 -20.3 97 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 98 129 A M 0 0 55 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -31.4 19.2 -3.4 -19.3 99 130 A Q > - 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