==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JAN-08 2VM3 . COMPND 2 MOLECULE: DISSIMILATORY COPPER-CONTAINING NITRITE . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER XYLOSOXIDANS; . AUTHOR M.A.HOUGH,S.V.ANTONYUK,R.W.STRANGE,R.R.EADY,S.S.HASNAIN . 333 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 21.9 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 . 3 0.9 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 . 43 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 1 0 0 0 0 0 0 1 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 1 3 1 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 . 1 1 2 2 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 3 A A > 0 0 41 0, 0.0 3,-1.1 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 -35.5 32.3 -10.5 17.4 2 4 A D T 3 + 0 0 140 1,-0.2 28,-0.0 28,-0.0 0, 0.0 0.599 360.0 60.5 -72.4 -12.7 35.7 -12.2 17.3 3 5 A K T 3 S+ 0 0 205 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.629 89.2 100.9 -84.2 -15.0 35.1 -13.6 20.8 4 6 A L S < S- 0 0 45 -3,-1.1 25,-0.1 1,-0.1 2,-0.1 -0.336 77.1-107.5 -84.4 150.9 32.0 -15.5 19.8 5 7 A P - 0 0 86 0, 0.0 25,-2.2 0, 0.0 2,-0.3 -0.441 35.4-133.7 -62.2 143.2 31.4 -19.2 19.0 6 8 A H E -a 30 0A 96 23,-0.2 2,-0.3 -2,-0.1 25,-0.2 -0.781 19.0-167.7 -98.5 145.6 30.8 -19.9 15.3 7 9 A T E -a 31 0A 51 23,-2.8 25,-3.2 -2,-0.3 2,-0.5 -0.948 13.3-139.0-129.4 154.2 28.0 -22.1 14.0 8 10 A K E -a 32 0A 162 -2,-0.3 2,-0.5 23,-0.2 25,-0.2 -0.962 15.7-159.9-119.0 119.6 27.5 -23.6 10.5 9 11 A V - 0 0 34 23,-2.6 2,-0.6 -2,-0.5 25,-0.3 -0.866 9.2-147.4-106.5 129.3 24.0 -23.6 8.9 10 12 A T - 0 0 120 -2,-0.5 2,-0.1 23,-0.1 23,-0.1 -0.824 23.9-139.0 -90.0 120.2 23.0 -25.9 6.1 11 13 A L - 0 0 29 -2,-0.6 2,-0.3 23,-0.2 54,-0.1 -0.376 12.4-151.2 -78.5 154.3 20.4 -24.1 3.9 12 14 A V - 0 0 50 52,-0.3 52,-0.4 4,-0.1 6,-0.2 -0.925 23.6 -98.8-125.2 156.4 17.3 -25.7 2.4 13 15 A A > - 0 0 66 -2,-0.3 3,-1.3 50,-0.1 49,-0.1 -0.449 57.2 -71.9 -72.0 136.8 15.3 -25.0 -0.7 14 16 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.239 111.6 41.8 -52.4 153.3 12.0 -23.0 -0.6 15 17 A P T 3 S+ 0 0 25 0, 0.0 154,-2.2 0, 0.0 2,-0.1 -0.992 112.4 69.0 -81.3 1.2 9.2 -23.3 0.4 16 18 A Q S < S- 0 0 92 -3,-1.3 48,-0.4 152,-0.2 2,-0.4 -0.365 71.3-144.1 -74.8 161.0 10.9 -24.9 3.4 17 19 A V - 0 0 19 150,-0.5 150,-0.2 -3,-0.1 3,-0.1 -0.982 30.2 -99.1-123.6 138.0 13.0 -23.1 5.9 18 20 A H - 0 0 8 46,-0.6 -7,-0.1 -2,-0.4 -9,-0.0 -0.139 52.5 -84.3 -56.3 144.2 16.1 -24.7 7.5 19 21 A P + 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.247 66.2 153.2 -48.5 135.5 15.6 -26.1 11.1 20 22 A H - 0 0 55 -3,-0.1 2,-0.3 47,-0.0 47,-0.1 -0.971 41.6-110.2-158.3 162.8 16.0 -23.4 13.7 21 23 A E - 0 0 109 -2,-0.3 3,-0.1 1,-0.2 128,-0.1 -0.738 16.4-159.7 -91.1 147.5 14.9 -22.5 17.3 22 24 A Q S S+ 0 0 42 1,-0.4 131,-0.4 -2,-0.3 -1,-0.2 0.696 82.2 22.6 -85.4-102.7 12.5 -19.7 18.0 23 25 A A S S- 0 0 50 129,-0.3 -1,-0.4 131,-0.1 2,-0.3 -0.443 87.7-176.3 -59.7 137.2 13.0 -18.7 21.7 24 26 A T - 0 0 21 127,-2.5 129,-0.0 -3,-0.1 -1,-0.0 -0.987 41.1-150.7-141.6 149.1 16.5 -19.8 22.7 25 27 A K + 0 0 217 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 0.522 69.0 111.8 -90.5 -8.3 18.8 -19.9 25.7 26 28 A S - 0 0 36 125,-0.1 -2,-0.1 1,-0.1 3,-0.1 -0.368 64.9-131.5 -68.9 139.2 21.8 -19.7 23.4 27 29 A G - 0 0 40 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 -0.284 49.8 -56.8 -75.7 174.9 24.0 -16.5 23.5 28 30 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.136 59.3-174.4 -54.6 145.9 25.0 -14.7 20.3 29 31 A K - 0 0 65 39,-0.2 43,-2.6 -25,-0.1 2,-0.8 -0.922 35.3-113.3-133.8 159.8 26.9 -16.6 17.6 30 32 A V E -ab 6 72A 0 -25,-2.2 -23,-2.8 -2,-0.3 2,-0.6 -0.916 40.5-155.2 -85.4 109.7 28.6 -16.0 14.3 31 33 A V E -ab 7 73A 7 41,-3.1 43,-2.9 -2,-0.8 2,-0.4 -0.830 5.3-148.7 -94.9 118.5 26.3 -17.9 12.1 32 34 A E E +ab 8 74A 51 -25,-3.2 -23,-2.6 -2,-0.6 2,-0.3 -0.763 20.8 171.1 -96.8 129.7 28.0 -19.1 8.9 33 35 A F E - b 0 75A 1 41,-2.6 43,-2.6 -2,-0.4 2,-0.4 -0.924 15.5-158.1-128.7 155.2 26.2 -19.5 5.5 34 36 A T E - b 0 76A 77 -25,-0.3 2,-0.4 -2,-0.3 -23,-0.2 -0.999 9.1-178.2-132.5 136.5 27.2 -20.1 1.9 35 37 A M E - b 0 77A 0 41,-2.4 43,-3.0 -2,-0.4 2,-0.5 -0.999 11.9-154.4-131.7 139.8 25.3 -19.4 -1.2 36 38 A T E - b 0 78A 56 -2,-0.4 21,-1.7 41,-0.2 22,-0.3 -0.961 18.5-130.8-114.3 122.7 26.3 -20.1 -4.8 37 39 A I E -D 56 0B 2 41,-2.8 2,-0.4 -2,-0.5 19,-0.2 -0.463 23.0-172.6 -69.9 134.9 24.8 -18.0 -7.7 38 40 A E E -D 55 0B 81 17,-2.2 17,-1.5 -2,-0.2 2,-0.4 -0.950 10.3-161.1-132.8 115.5 23.4 -19.9 -10.7 39 41 A E E +D 54 0B 27 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.742 31.6 150.0 -83.6 139.3 22.2 -18.1 -13.8 40 42 A K E -D 53 0B 61 13,-2.3 13,-2.1 -2,-0.4 2,-0.4 -0.956 50.5-104.1-168.5 152.3 19.8 -20.4 -15.9 41 43 A K E -D 52 0B 87 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.668 43.0-169.2 -80.0 128.3 16.9 -20.4 -18.3 42 44 A M E -D 51 0B 41 9,-2.9 9,-2.6 -2,-0.4 2,-0.5 -0.939 25.1-126.9-121.6 144.0 13.8 -21.4 -16.4 43 45 A V E +D 50 0B 74 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.797 29.5 179.4 -86.8 126.4 10.3 -22.4 -17.7 44 46 A I + 0 0 0 5,-2.5 172,-2.5 -2,-0.5 2,-0.3 0.471 51.7 31.6-113.6 -4.9 7.9 -20.1 -15.8 45 47 A D S > S- 0 0 6 4,-0.7 3,-1.0 170,-0.2 262,-0.0 -0.884 82.3 -97.4-147.3 178.2 4.4 -21.0 -17.1 46 48 A D T 3 S+ 0 0 138 -2,-0.3 -1,-0.0 1,-0.2 -3,-0.0 0.731 117.3 56.8 -72.9 -24.5 2.1 -23.8 -18.4 47 49 A K T 3 S- 0 0 149 2,-0.0 -1,-0.2 1,-0.0 -4,-0.0 0.417 118.9-104.0 -91.2 1.7 2.7 -22.8 -22.0 48 50 A G < + 0 0 41 -3,-1.0 -2,-0.1 1,-0.3 -1,-0.0 0.583 59.0 163.8 90.1 11.5 6.5 -23.1 -21.9 49 51 A T - 0 0 13 -6,-0.1 -5,-2.5 1,-0.1 -4,-0.7 -0.374 26.4-143.7 -54.5 138.5 7.5 -19.5 -21.7 50 52 A T E -D 43 0B 20 136,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.801 12.2-155.1-109.1 153.6 11.1 -19.1 -20.5 51 53 A L E -D 42 0B 14 -9,-2.6 -9,-2.9 -2,-0.3 2,-1.4 -0.997 21.4-133.6-119.4 128.6 12.9 -16.6 -18.3 52 54 A Q E -D 41 0B 20 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.722 50.5-169.8 -74.1 93.8 16.6 -16.0 -18.6 53 55 A A E -D 40 0B 0 -13,-2.1 -13,-2.3 -2,-1.4 2,-0.4 -0.432 29.5-156.6 -98.2 161.3 16.9 -16.2 -14.8 54 56 A M E +D 39 0B 0 86,-1.9 2,-0.3 -15,-0.2 -15,-0.2 -0.997 24.5 179.0-135.7 133.1 19.5 -15.4 -12.1 55 57 A T E -D 38 0B 0 -17,-1.5 -17,-2.2 -2,-0.4 2,-0.5 -0.939 35.2-126.6-137.9 152.5 19.3 -17.1 -8.7 56 58 A F E > S-DE 37 59B 0 3,-0.6 3,-1.5 85,-0.4 -19,-0.2 -0.901 103.8 -8.5 -87.4 126.9 20.9 -17.5 -5.3 57 59 A N T 3 S- 0 0 67 -21,-1.7 -1,-0.2 -2,-0.5 -20,-0.2 0.676 121.7 -70.2 58.1 21.4 21.4 -21.3 -4.8 58 60 A G T 3 S+ 0 0 15 -22,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.441 108.2 97.2 84.5 -1.2 19.4 -22.3 -7.9 59 61 A S B < S-E 56 0B 23 -3,-1.5 -3,-0.6 82,-0.0 -1,-0.2 -0.865 73.5-108.4-122.8 153.5 16.0 -21.3 -6.6 60 62 A M S S+ 0 0 6 -2,-0.3 2,-0.2 153,-0.3 111,-0.2 -0.997 109.6 26.7-113.7 120.2 13.5 -18.4 -6.8 61 63 A P S S- 0 0 0 0, 0.0 83,-0.2 0, 0.0 3,-0.1 0.727 104.1-116.8 -74.2 176.0 13.4 -17.1 -4.2 62 64 A G - 0 0 0 81,-3.0 83,-0.4 79,-0.2 -5,-0.1 -0.172 50.5 -74.6 -57.3 166.9 16.8 -17.8 -2.7 63 65 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 82,-0.2 -0.284 49.4-108.4 -65.8 152.7 16.8 -19.8 0.5 64 66 A T - 0 0 2 -48,-0.4 -46,-0.6 -52,-0.4 2,-0.4 -0.754 27.9-150.2 -82.6 127.9 15.7 -18.2 3.7 65 67 A L E -f 146 0C 0 80,-2.0 82,-3.2 -2,-0.5 2,-0.5 -0.854 12.3-160.1 -95.7 130.0 18.5 -17.6 6.2 66 68 A V E +f 147 0C 7 -2,-0.4 2,-0.2 80,-0.2 82,-0.2 -0.953 23.2 145.0-120.1 125.2 17.5 -17.7 9.9 67 69 A V E -f 148 0C 2 80,-2.6 82,-2.7 -2,-0.5 2,-0.3 -0.770 41.2-104.7-136.0-178.7 19.4 -16.2 12.9 68 70 A H E > -f 149 0C 18 80,-0.2 3,-2.6 -2,-0.2 50,-0.2 -0.870 43.6 -86.6-112.1 153.2 18.6 -14.4 16.2 69 71 A E T 3 S+ 0 0 79 80,-2.7 50,-0.2 -2,-0.3 82,-0.1 -0.330 119.1 28.7 -52.4 128.3 18.8 -10.8 17.1 70 72 A G T 3 S+ 0 0 19 48,-2.2 -1,-0.3 1,-0.4 49,-0.2 0.110 95.5 117.0 97.0 -20.5 22.4 -10.2 18.3 71 73 A D < - 0 0 8 -3,-2.6 47,-2.6 47,-0.4 2,-0.5 -0.286 64.1-125.9 -66.7 163.6 23.9 -12.9 16.1 72 74 A Y E -bC 30 117A 37 -43,-2.6 -41,-3.1 45,-0.2 2,-0.5 -0.961 15.3-142.2-112.3 130.2 26.3 -12.1 13.3 73 75 A V E -bC 31 116A 0 43,-2.9 43,-2.2 -2,-0.5 2,-0.5 -0.837 16.1-171.0 -90.0 128.1 25.5 -13.3 9.8 74 76 A Q E -bC 32 115A 42 -43,-2.9 -41,-2.6 -2,-0.5 2,-0.5 -0.901 8.7-173.6-124.1 103.4 28.6 -14.4 8.0 75 77 A L E -bC 33 114A 3 39,-2.4 39,-2.8 -2,-0.5 2,-0.7 -0.836 19.1-159.2-105.1 128.1 27.9 -15.2 4.3 76 78 A T E -bC 34 113A 29 -43,-2.6 -41,-2.4 -2,-0.5 2,-0.6 -0.922 17.2-161.6 -96.2 116.4 30.3 -16.6 1.7 77 79 A L E -bC 35 112A 0 35,-2.8 35,-1.6 -2,-0.7 2,-0.5 -0.902 4.9-162.9-103.4 120.6 28.9 -15.7 -1.7 78 80 A V E -bC 36 111A 27 -43,-3.0 -41,-2.8 -2,-0.6 33,-0.2 -0.881 13.0-173.0-110.5 128.1 30.2 -17.8 -4.6 79 81 A N E - 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0 0 83 -2,-0.5 3,-2.4 -21,-0.2 -28,-0.2 -0.447 50.6 -72.5 -75.9 159.0 32.9 -11.7 -11.0 108 110 A P T 3 S+ 0 0 44 0, 0.0 -27,-0.3 0, 0.0 -1,-0.1 -0.342 128.9 29.8 -53.6 131.7 32.4 -15.2 -12.4 109 111 A G T 3 S+ 0 0 56 -30,-3.0 2,-0.3 1,-0.3 -28,-0.1 0.383 107.0 99.3 92.7 0.0 35.1 -17.3 -10.8 110 112 A E E < -C 79 0A 93 -3,-2.4 -31,-2.6 -31,-1.0 -1,-0.3 -0.771 46.8-172.7-115.8 161.2 35.2 -15.2 -7.6 111 113 A Q E -C 78 0A 123 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.2 -0.942 2.2-168.7-142.4 165.3 33.8 -15.4 -4.1 112 114 A A E -C 77 0A 24 -35,-1.6 -35,-2.8 -2,-0.3 2,-0.4 -0.971 15.3-136.6-150.7 160.6 33.7 -13.2 -1.0 113 115 A T E -C 76 0A 77 -2,-0.3 2,-0.4 -37,-0.2 -37,-0.2 -0.987 19.7-173.2-127.8 121.5 32.8 -13.4 2.7 114 116 A L E -C 75 0A 14 -39,-2.8 -39,-2.4 -2,-0.4 2,-0.4 -0.900 4.4-166.7-112.6 140.1 30.7 -10.7 4.4 115 117 A R E +C 74 0A 105 -2,-0.4 2,-0.3 -41,-0.2 -41,-0.2 -0.991 14.2 164.3-121.4 138.9 29.9 -10.4 8.1 116 118 A F E -C 73 0A 17 -43,-2.2 -43,-2.9 -2,-0.4 2,-0.5 -0.989 38.5-109.2-146.0 156.3 27.3 -8.2 9.6 117 119 A K E -C 72 0A 99 -2,-0.3 2,-1.7 -45,-0.2 -45,-0.2 -0.732 18.6-146.9 -86.3 122.8 25.5 -7.8 12.9 118 120 A A + 0 0 0 -47,-2.6 -48,-2.2 -2,-0.5 -47,-0.4 -0.611 39.6 154.6 -85.7 74.0 21.8 -8.9 12.8 119 121 A D + 0 0 65 -2,-1.7 2,-0.4 -26,-0.3 -1,-0.2 0.408 50.1 65.4 -88.4 1.2 20.9 -6.3 15.4 120 122 A R S S- 0 0 151 -27,-0.3 2,-0.2 -3,-0.1 28,-0.1 -0.990 77.0-131.4-128.8 129.9 17.2 -5.8 14.3 121 123 A S + 0 0 10 -2,-0.4 142,-0.5 26,-0.1 2,-0.2 -0.493 58.0 70.6 -78.7 149.4 14.5 -8.5 14.5 122 124 A G E S- H 0 148C 0 26,-2.7 26,-3.4 139,-0.3 2,-0.5 -0.788 84.4 -64.1 140.7 176.3 12.2 -9.2 11.6 123 125 A T E - 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