==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-APR-00 1ET5 . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR M.J.BOULANGER,M.KUKIMOTO,M.NISHIYAMA,S.HORINOUCHI,M.E.P.MURP . 336 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 39 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 0 1 1 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 . 6 2 2 2 0 2 1 2 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 . 2 1 1 3 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 4 A A 0 0 78 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 150.4 -25.1 -21.9 -20.4 2 5 A T > - 0 0 73 1,-0.1 4,-2.3 0, 0.0 3,-0.4 -0.571 360.0 -99.6 -93.5 165.9 -28.5 -23.5 -19.7 3 6 A A H > S+ 0 0 86 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.894 126.3 50.4 -51.7 -47.2 -28.9 -26.2 -17.0 4 7 A A H > S+ 0 0 77 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.850 109.1 51.1 -62.2 -36.1 -28.8 -28.9 -19.7 5 8 A E H > S+ 0 0 112 -3,-0.4 4,-0.6 2,-0.2 3,-0.4 0.924 111.1 47.7 -68.3 -44.4 -25.6 -27.4 -21.2 6 9 A I H >< S+ 0 0 15 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.921 109.5 51.2 -64.4 -44.5 -23.7 -27.3 -17.9 7 10 A A H 3< S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.727 107.7 55.2 -67.1 -19.5 -24.7 -30.9 -16.9 8 11 A A H 3< S+ 0 0 86 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.613 85.2 108.8 -87.2 -13.8 -23.4 -32.1 -20.2 9 12 A L S << S- 0 0 42 -3,-1.1 25,-0.1 -4,-0.6 -3,-0.0 -0.227 82.8 -95.1 -63.2 151.0 -20.0 -30.6 -19.8 10 13 A P - 0 0 73 0, 0.0 25,-2.2 0, 0.0 2,-0.3 -0.374 45.1-146.7 -64.7 147.6 -16.9 -32.8 -19.2 11 14 A R E -a 35 0A 97 23,-0.2 2,-0.4 -3,-0.1 25,-0.2 -0.866 14.5-168.3-120.4 153.7 -16.2 -33.2 -15.5 12 15 A Q E -a 36 0A 102 23,-1.8 25,-3.4 -2,-0.3 2,-0.5 -0.979 13.0-148.6-145.2 129.9 -13.0 -33.6 -13.5 13 16 A K E -a 37 0A 170 -2,-0.4 2,-0.4 23,-0.2 25,-0.2 -0.832 18.7-161.8 -95.7 128.3 -12.3 -34.5 -10.0 14 17 A V - 0 0 24 23,-2.5 2,-0.7 -2,-0.5 25,-0.4 -0.944 11.5-143.7-114.0 133.8 -9.1 -32.9 -8.6 15 18 A E - 0 0 173 -2,-0.4 9,-0.2 23,-0.1 2,-0.1 -0.876 25.9-134.4 -97.6 115.4 -7.3 -34.2 -5.5 16 19 A L - 0 0 31 -2,-0.7 2,-0.3 23,-0.3 54,-0.1 -0.350 15.6-151.8 -70.9 150.0 -6.0 -31.2 -3.6 17 20 A V - 0 0 56 52,-0.3 52,-0.3 4,-0.1 6,-0.2 -0.872 25.6 -94.1-121.5 156.6 -2.4 -31.1 -2.3 18 21 A D > - 0 0 94 -2,-0.3 3,-1.2 50,-0.1 49,-0.1 -0.406 58.2 -72.9 -71.8 139.3 -1.0 -29.2 0.8 19 22 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.255 111.5 40.3 -62.1 157.8 0.7 -25.8 0.3 20 23 A P T 3 S+ 0 0 10 0, 0.0 154,-2.6 0, 0.0 2,-0.1 -0.993 114.6 68.2 -75.0 -3.6 3.3 -24.6 -0.8 21 24 A F S < S- 0 0 123 -3,-1.2 48,-0.4 152,-0.2 2,-0.4 -0.322 72.2-144.4 -77.5 163.6 2.7 -27.2 -3.5 22 25 A V - 0 0 24 150,-0.3 3,-0.1 -3,-0.1 -4,-0.1 -0.969 22.7-101.0-130.7 143.0 -0.1 -27.1 -6.0 23 26 A H - 0 0 7 46,-0.5 -7,-0.1 -2,-0.4 -1,-0.0 -0.086 54.3 -79.5 -57.9 160.8 -2.2 -29.9 -7.6 24 27 A A + 0 0 99 -9,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.337 66.2 151.0 -62.3 140.1 -1.4 -31.2 -11.1 25 28 A H - 0 0 57 -3,-0.1 2,-0.4 -2,-0.0 3,-0.1 -0.981 44.4-113.9-163.8 162.7 -2.8 -28.9 -13.8 26 29 A S - 0 0 40 -2,-0.3 132,-0.1 1,-0.1 4,-0.1 -0.901 15.4-148.0-106.6 136.5 -2.2 -27.8 -17.4 27 30 A Q S S+ 0 0 38 -2,-0.4 2,-0.6 1,-0.1 131,-0.5 0.862 89.9 51.7 -69.9 -36.8 -1.2 -24.1 -17.9 28 31 A V S S- 0 0 82 129,-0.2 129,-0.2 130,-0.1 128,-0.1 -0.910 97.6-117.1-104.7 123.6 -2.9 -24.0 -21.3 29 32 A A - 0 0 20 127,-2.5 2,-0.6 -2,-0.6 -2,-0.1 -0.309 20.2-148.5 -61.8 136.0 -6.5 -25.3 -21.3 30 33 A E - 0 0 150 2,-0.1 2,-0.2 -4,-0.1 -1,-0.1 -0.925 61.2 -18.7-109.3 110.1 -7.2 -28.3 -23.4 31 34 A G S S- 0 0 59 -2,-0.6 3,-0.1 3,-0.0 -2,-0.0 -0.477 98.0 -35.2 95.6-166.3 -10.7 -28.4 -24.9 32 35 A G S S- 0 0 44 1,-0.2 -2,-0.1 -2,-0.2 44,-0.0 -0.183 85.3 -51.7 -86.6-177.2 -13.9 -26.5 -23.9 33 36 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.129 57.7-166.1 -54.2 151.5 -15.2 -25.5 -20.5 34 37 A K - 0 0 53 -25,-0.1 43,-2.7 39,-0.1 2,-0.7 -0.866 26.6-118.0-134.1 164.6 -15.3 -28.1 -17.8 35 38 A V E -ab 11 77A 0 -25,-2.2 -23,-1.8 -2,-0.3 2,-0.6 -0.963 34.7-154.4-105.7 113.9 -17.0 -28.5 -14.4 36 39 A V E -ab 12 78A 6 41,-3.4 43,-3.5 -2,-0.7 2,-0.5 -0.849 4.7-148.2 -97.5 121.6 -14.0 -28.9 -12.0 37 40 A E E +ab 13 79A 40 -25,-3.4 -23,-2.5 -2,-0.6 2,-0.3 -0.767 19.9 172.3 -96.5 127.0 -14.8 -30.8 -8.8 38 41 A F E - b 0 80A 1 41,-2.3 43,-2.4 -2,-0.5 2,-0.4 -0.948 14.0-158.8-128.8 147.8 -13.0 -30.1 -5.5 39 42 A T E + b 0 81A 76 -25,-0.4 2,-0.4 -2,-0.3 -23,-0.3 -0.987 12.1 178.6-127.8 136.4 -13.8 -31.4 -2.1 40 43 A M E - b 0 82A 0 41,-2.2 43,-2.5 -2,-0.4 2,-0.4 -0.999 13.0-156.3-140.3 137.6 -12.6 -29.7 1.1 41 44 A V E - b 0 83A 46 -2,-0.4 21,-3.5 41,-0.2 2,-0.5 -0.872 19.7-128.2-111.0 148.2 -13.2 -30.6 4.7 42 45 A I E -D 61 0B 0 41,-2.0 2,-0.5 -2,-0.4 19,-0.2 -0.831 23.0-168.8 -98.3 129.5 -13.1 -28.1 7.5 43 46 A E E -D 60 0B 83 17,-2.7 17,-2.8 -2,-0.5 2,-0.7 -0.965 11.3-162.5-124.8 118.5 -10.8 -28.9 10.5 44 47 A E E +D 59 0B 32 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.876 38.8 142.5 -94.1 116.6 -10.9 -26.9 13.7 45 48 A K E -D 58 0B 79 13,-1.9 13,-2.5 -2,-0.7 2,-0.3 -0.993 53.5-100.2-156.2 160.4 -7.6 -27.9 15.5 46 49 A K E -D 57 0B 80 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.644 38.3-177.5 -82.8 134.0 -4.8 -26.6 17.6 47 50 A I E -D 56 0B 27 9,-2.2 9,-1.7 -2,-0.3 2,-0.5 -0.970 25.3-129.2-131.5 147.8 -1.6 -25.8 15.7 48 51 A V E -D 55 0B 76 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.869 22.4-174.0 -96.5 128.6 1.8 -24.7 17.1 49 52 A I + 0 0 0 5,-2.5 172,-2.3 -2,-0.5 2,-0.3 0.386 57.0 23.1-108.0 4.0 3.0 -21.6 15.3 50 53 A D S > S- 0 0 23 4,-0.5 3,-1.2 170,-0.2 4,-0.1 -0.948 84.0 -94.0-156.3 174.8 6.5 -20.8 16.6 51 54 A D T 3 S+ 0 0 154 -2,-0.3 169,-0.0 1,-0.3 171,-0.0 0.411 115.3 66.1 -76.3 1.0 9.5 -22.4 18.3 52 55 A A T 3 S- 0 0 82 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.160 116.9-106.1-106.2 14.4 8.3 -21.4 21.7 53 56 A G < + 0 0 39 -3,-1.2 2,-0.2 1,-0.2 -2,-0.1 0.697 55.2 171.3 71.8 20.5 5.2 -23.6 21.6 54 57 A T - 0 0 7 -6,-0.1 -5,-2.5 -4,-0.1 -4,-0.5 -0.467 17.3-155.8 -65.6 129.3 2.7 -20.9 21.0 55 58 A E E -D 48 0B 60 -7,-0.2 2,-0.3 136,-0.2 -7,-0.2 -0.773 14.7-177.2-110.0 155.7 -0.7 -22.6 20.1 56 59 A V E -D 47 0B 20 -9,-1.7 -9,-2.2 -2,-0.3 2,-1.3 -0.992 33.0-118.9-147.9 145.5 -3.7 -21.3 18.2 57 60 A H E -D 46 0B 22 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.1 -0.753 41.0-162.6 -89.1 95.9 -7.1 -22.7 17.5 58 61 A A E -D 45 0B 1 -13,-2.5 -13,-1.9 -2,-1.3 2,-0.6 -0.455 18.5-154.8 -79.7 151.9 -7.0 -22.8 13.7 59 62 A M E -D 44 0B 1 86,-1.7 2,-0.4 83,-0.2 -15,-0.2 -0.953 34.0-176.2-124.3 99.7 -10.0 -23.2 11.5 60 63 A A E > -D 43 0B 2 -17,-2.8 -17,-2.7 -2,-0.6 3,-1.2 -0.894 34.6-130.3-119.8 139.3 -8.5 -24.7 8.4 61 64 A F E > S-D 42 0B 0 3,-0.5 3,-1.5 -2,-0.4 -19,-0.2 -0.648 103.6 -7.5 -74.7 120.2 -9.6 -25.7 5.0 62 65 A N T 3 S- 0 0 44 -21,-3.5 -1,-0.3 -2,-0.5 -20,-0.2 0.745 124.1 -72.8 60.9 24.0 -8.3 -29.3 4.5 63 66 A G T < S+ 0 0 13 -3,-1.2 2,-0.3 -22,-0.4 -1,-0.3 0.506 107.7 104.4 73.2 5.8 -6.5 -28.9 7.8 64 67 A T < - 0 0 29 -3,-1.5 -3,-0.5 82,-0.0 -1,-0.2 -0.795 69.6-112.0-118.2 162.1 -3.7 -26.6 6.5 65 68 A V S S+ 0 0 12 -2,-0.3 2,-0.2 153,-0.2 111,-0.1 -0.968 108.1 29.1-134.5 112.7 -3.0 -22.9 6.8 66 69 A P S S- 0 0 2 0, 0.0 83,-0.2 0, 0.0 3,-0.1 0.614 104.5-120.5 -74.9 173.2 -3.4 -21.5 4.2 67 70 A G - 0 0 0 81,-2.6 83,-0.3 79,-0.2 -5,-0.1 -0.247 47.9 -73.3 -69.0 167.5 -6.0 -23.7 2.6 68 71 A P - 0 0 0 0, 0.0 82,-0.4 0, 0.0 2,-0.4 -0.240 43.9-113.4 -67.2 155.0 -5.0 -25.4 -0.7 69 72 A L - 0 0 3 -48,-0.4 -46,-0.5 -52,-0.3 2,-0.4 -0.729 28.7-155.5 -86.3 132.2 -4.7 -23.5 -3.9 70 73 A M E -e 151 0C 1 80,-1.1 82,-2.9 -2,-0.4 2,-0.5 -0.918 6.9-158.8-110.2 136.8 -7.3 -24.6 -6.5 71 74 A V E +e 152 0C 6 -2,-0.4 2,-0.2 80,-0.2 82,-0.2 -0.969 23.4 146.7-122.7 130.9 -6.6 -24.1 -10.1 72 75 A V E -e 153 0C 2 80,-2.2 82,-2.4 -2,-0.5 2,-0.3 -0.782 42.0-103.4-141.0-177.9 -9.1 -23.9 -13.0 73 76 A H E > -e 154 0C 19 -2,-0.2 3,-2.4 80,-0.2 50,-0.2 -0.810 47.6 -79.5-113.9 156.8 -9.3 -22.0 -16.3 74 77 A Q T 3 S+ 0 0 43 80,-2.6 50,-0.2 -2,-0.3 3,-0.1 -0.290 119.0 16.8 -54.0 135.2 -11.3 -18.9 -17.1 75 78 A D T 3 S+ 0 0 61 48,-3.1 -1,-0.3 1,-0.3 49,-0.1 0.388 94.6 123.5 80.2 -0.3 -14.9 -19.9 -17.9 76 79 A D < - 0 0 5 -3,-2.4 47,-2.4 47,-0.4 2,-0.5 -0.372 65.2-121.3 -76.0 167.9 -14.5 -23.3 -16.3 77 80 A Y E -bC 35 122A 18 -43,-2.7 -41,-3.4 45,-0.2 2,-0.6 -0.965 17.2-147.0-112.2 130.9 -17.1 -23.9 -13.5 78 81 A L E -bC 36 121A 1 43,-2.5 43,-1.7 -2,-0.5 2,-0.6 -0.872 13.8-168.3 -97.6 124.0 -15.6 -24.7 -10.1 79 82 A E E -bC 37 120A 31 -43,-3.5 -41,-2.3 -2,-0.6 2,-0.4 -0.932 8.0-170.9-118.1 109.9 -17.9 -27.1 -8.2 80 83 A L E -bC 38 119A 2 39,-2.5 39,-2.4 -2,-0.6 2,-0.6 -0.835 18.4-158.7-106.6 134.9 -17.0 -27.4 -4.6 81 84 A T E -bC 39 118A 32 -43,-2.4 -41,-2.2 -2,-0.4 2,-0.5 -0.960 18.5-166.0-106.7 119.0 -18.3 -29.8 -2.0 82 85 A L E -bC 40 117A 2 35,-2.8 35,-1.6 -2,-0.6 2,-0.5 -0.945 1.9-164.7-112.1 124.5 -17.7 -28.3 1.4 83 86 A I E -bC 41 116A 54 -43,-2.5 -41,-2.0 -2,-0.5 33,-0.2 -0.921 13.0-164.9-116.4 131.7 -18.0 -30.5 4.5 84 87 A N E - C 0 115A 0 31,-2.7 30,-3.7 -2,-0.5 31,-0.7 -0.871 28.7-131.6-113.3 96.3 -18.3 -29.4 8.1 85 88 A P > - 0 0 31 0, 0.0 3,-2.4 0, 0.0 30,-0.1 -0.066 13.6-124.4 -45.8 140.6 -17.6 -32.5 10.3 86 89 A E T 3 S+ 0 0 169 27,-0.3 -2,-0.0 1,-0.3 26,-0.0 0.702 110.9 71.6 -60.7 -15.1 -20.1 -33.2 13.1 87 90 A T T 3 S+ 0 0 120 2,-0.0 -1,-0.3 0, 0.0 -44,-0.0 0.662 82.3 85.7 -73.3 -22.7 -16.9 -33.1 15.2 88 91 A N < - 0 0 16 -3,-2.4 -4,-0.0 -46,-0.1 -45,-0.0 -0.278 65.6-149.0 -78.5 169.5 -16.5 -29.3 14.8 89 92 A T + 0 0 89 2,-0.1 2,-0.3 23,-0.1 -1,-0.1 0.517 67.3 62.9-116.2 -9.3 -18.2 -26.7 17.0 90 93 A L S S- 0 0 39 22,-0.1 2,-0.2 21,-0.0 -2,-0.1 -0.812 76.5-112.8-122.2 160.3 -18.7 -23.7 14.7 91 94 A M - 0 0 48 -2,-0.3 2,-0.3 21,-0.1 21,-0.2 -0.596 40.8-179.8 -81.1 146.8 -20.7 -22.8 11.6 92 95 A H B +I 111 0D 0 19,-1.9 19,-2.6 -2,-0.2 2,-0.3 -0.943 11.8 171.8-142.3 164.6 -18.5 -22.0 8.6 93 96 A N - 0 0 2 -2,-0.3 2,-0.4 17,-0.2 13,-0.1 -0.847 27.5-111.6-154.6-171.2 -19.0 -21.0 4.9 94 97 A I - 0 0 0 11,-0.3 2,-0.5 -2,-0.3 14,-0.2 -1.000 14.8-166.4-141.6 139.3 -16.8 -20.0 2.0 95 98 A N E -F 132 0C 29 37,-2.2 37,-1.8 -2,-0.4 2,-0.5 -0.979 9.7-161.6-123.7 112.4 -16.5 -16.7 0.2 96 99 A F E > -F 131 0C 1 8,-2.8 3,-1.2 -2,-0.5 35,-0.2 -0.859 12.2-158.5 -96.4 124.7 -14.6 -16.8 -3.2 97 100 A H T 3 S+ 0 0 72 33,-2.6 -1,-0.1 -2,-0.5 34,-0.1 0.706 95.9 65.1 -71.0 -16.9 -13.3 -13.4 -4.4 98 101 A A T 3 S+ 0 0 6 32,-0.4 27,-0.4 6,-0.1 26,-0.3 0.650 93.4 83.7 -75.8 -15.9 -13.3 -15.1 -7.8 99 102 A A < - 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