==== 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 28-JAN-08 2VMJ . COMPND 2 MOLECULE: DISSIMILATORY COPPER-CONTAINING NITRITE . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES XYLOSOXYDANS XYLOSOXYDANS; . AUTHOR K.SATO,S.J.FIRBANK,C.LI,M.J.BANFIELD,C.DENNISON . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 23.9 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 . 2 0.6 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 . 42 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 4.9 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 1 0 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 . 7 1 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 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 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 2 A D 0 0 150 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.1 -9.5 33.6 20.2 2 3 A A > + 0 0 7 1,-0.2 3,-1.6 2,-0.2 71,-0.1 0.842 360.0 58.9 -70.3 -41.3 -6.9 33.4 17.3 3 4 A D T 3 S+ 0 0 111 1,-0.3 -1,-0.2 28,-0.0 28,-0.1 0.841 99.1 60.9 -57.3 -36.9 -6.8 37.2 16.5 4 5 A K T 3 S+ 0 0 89 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.2 0.319 91.0 98.5 -75.1 7.4 -5.6 37.9 20.1 5 6 A L S < S- 0 0 46 -3,-1.6 25,-0.1 1,-0.1 -3,-0.0 -0.593 82.3 -93.4 -99.7 156.9 -2.5 35.8 19.7 6 7 A P - 0 0 88 0, 0.0 25,-2.1 0, 0.0 2,-0.4 -0.324 38.6-140.6 -58.4 148.5 1.2 36.6 18.9 7 8 A H E -a 31 0A 89 23,-0.2 2,-0.3 25,-0.0 25,-0.2 -0.955 15.0-169.3-118.3 132.8 2.2 36.5 15.2 8 9 A T E -a 32 0A 71 23,-2.6 25,-2.9 -2,-0.4 2,-0.5 -0.929 13.7-142.9-118.5 147.5 5.5 35.2 13.7 9 10 A K E -a 33 0A 168 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.955 17.3-155.0-112.8 119.6 6.8 35.6 10.2 10 11 A V - 0 0 36 23,-2.6 2,-0.6 -2,-0.5 25,-0.4 -0.788 9.0-144.1-102.0 132.5 8.7 32.6 8.7 11 12 A T - 0 0 120 -2,-0.4 2,-0.1 9,-0.1 23,-0.0 -0.839 24.4-144.4 -89.4 117.2 11.3 32.7 5.9 12 13 A L - 0 0 30 -2,-0.6 2,-0.3 23,-0.2 54,-0.1 -0.382 11.1-152.2 -81.2 157.7 11.0 29.6 3.7 13 14 A V - 0 0 53 52,-0.2 52,-0.3 4,-0.2 6,-0.2 -0.904 23.4 -93.0-130.4 161.1 13.9 27.7 2.1 14 15 A A > - 0 0 67 -2,-0.3 3,-1.3 50,-0.1 49,-0.1 -0.440 59.2 -73.8 -71.8 139.3 14.4 25.6 -1.0 15 16 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.372 112.4 42.8 -53.4 148.4 14.1 21.8 -0.8 16 17 A P T 3 S+ 0 0 23 0, 0.0 146,-2.2 0, 0.0 2,-0.1 -0.992 110.9 72.0 -79.5 1.5 15.7 19.5 0.2 17 18 A Q B < -D 161 0B 92 -3,-1.3 48,-0.4 144,-0.2 2,-0.4 -0.414 67.7-147.7 -78.8 154.6 16.2 21.8 3.2 18 19 A V - 0 0 18 142,-0.5 142,-0.2 -2,-0.1 3,-0.1 -0.988 33.9 -99.7-117.5 129.8 13.5 22.7 5.8 19 20 A H - 0 0 7 46,-0.5 -7,-0.1 -2,-0.4 -1,-0.0 -0.022 51.5 -85.3 -45.4 148.7 13.6 26.2 7.4 20 21 A P + 0 0 121 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.301 65.2 158.4 -56.8 141.9 15.1 26.3 10.9 21 22 A H - 0 0 58 -3,-0.1 2,-0.4 47,-0.0 47,-0.1 -0.980 41.4-100.2-159.1 164.3 12.6 25.5 13.6 22 23 A E - 0 0 108 -2,-0.3 3,-0.1 1,-0.2 120,-0.1 -0.766 22.6-165.2 -89.8 140.6 12.1 24.4 17.1 23 24 A Q S S+ 0 0 45 -2,-0.4 123,-0.4 1,-0.4 -1,-0.2 0.743 79.8 19.2 -80.8-105.9 11.2 20.7 17.9 24 25 A A S S- 0 0 50 121,-0.3 2,-0.4 123,-0.1 -1,-0.4 -0.495 86.3-166.3 -61.7 136.1 10.0 20.5 21.5 25 26 A T - 0 0 16 119,-2.6 121,-0.1 -2,-0.1 -1,-0.0 -0.975 36.4-162.6-139.4 122.0 9.0 24.1 22.6 26 27 A K S S+ 0 0 141 -2,-0.4 -1,-0.1 119,-0.0 119,-0.0 0.754 72.4 106.6 -66.0 -21.6 8.3 25.7 25.9 27 28 A S - 0 0 66 1,-0.1 -2,-0.1 117,-0.1 3,-0.1 0.139 69.0-119.6 -54.3 167.2 6.7 28.4 23.7 28 29 A G - 0 0 39 1,-0.2 -1,-0.1 43,-0.0 -2,-0.0 -0.624 45.7 -56.8-112.4 166.3 2.9 28.9 23.3 29 30 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.195 62.2-177.0 -39.3 118.4 0.3 28.8 20.5 30 31 A K - 0 0 13 39,-0.1 43,-1.8 -25,-0.1 2,-0.6 -0.750 30.9-122.2-110.9 164.1 1.6 31.3 17.8 31 32 A V E -ab 7 73A 0 -25,-2.1 -23,-2.6 -2,-0.3 2,-0.4 -0.971 33.3-151.1-102.4 115.8 -0.0 32.4 14.5 32 33 A V E -ab 8 74A 10 41,-3.1 43,-2.8 -2,-0.6 2,-0.5 -0.772 4.2-150.1 -97.4 130.8 2.6 31.6 12.0 33 34 A E E +ab 9 75A 47 -25,-2.9 -23,-2.6 -2,-0.4 2,-0.3 -0.889 19.8 171.3-109.6 125.4 2.8 33.7 8.8 34 35 A F E - b 0 76A 5 41,-2.7 43,-3.0 -2,-0.5 2,-0.4 -0.917 14.5-159.6-129.5 150.9 4.0 32.3 5.5 35 36 A T E - b 0 77A 80 -25,-0.4 2,-0.4 -2,-0.3 -23,-0.2 -0.996 7.8-173.8-133.7 141.2 4.0 33.6 2.0 36 37 A M E - b 0 78A 0 41,-2.6 43,-3.2 -2,-0.4 2,-0.6 -0.995 13.5-149.9-137.2 143.6 4.2 31.7 -1.3 37 38 A T E - b 0 79A 65 -2,-0.4 21,-2.1 41,-0.2 22,-0.2 -0.945 18.5-137.2-115.8 111.4 4.6 32.8 -4.9 38 39 A I E -I 57 0C 0 41,-3.2 2,-0.4 -2,-0.6 19,-0.2 -0.439 23.3-170.8 -67.9 140.5 3.1 30.6 -7.5 39 40 A E E -I 56 0C 70 17,-2.7 17,-1.8 -2,-0.1 2,-0.3 -0.909 14.1-160.4-142.8 111.2 5.3 30.1 -10.6 40 41 A E E +I 55 0C 28 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.643 33.0 143.6 -81.2 142.9 4.5 28.5 -13.9 41 42 A K E -I 54 0C 74 13,-1.9 13,-2.3 -2,-0.3 2,-0.3 -0.955 50.0-104.3-170.6 159.0 7.6 27.5 -16.0 42 43 A K E -I 53 0C 90 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.690 40.7-167.0 -84.8 145.6 9.1 24.9 -18.3 43 44 A M E -I 52 0C 34 9,-2.1 9,-2.3 -2,-0.3 2,-0.6 -0.994 26.0-127.4-137.7 143.3 11.7 22.5 -16.7 44 45 A V E +I 51 0C 68 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.798 31.1 176.6 -85.0 125.3 14.3 20.1 -17.9 45 46 A I + 0 0 0 5,-2.7 164,-3.1 -2,-0.6 2,-0.2 0.591 53.2 33.4-113.2 -12.1 13.5 16.9 -16.0 46 47 A D S > S- 0 0 6 4,-0.7 3,-0.9 162,-0.2 156,-0.0 -0.779 86.6 -96.1-134.3-179.3 15.9 14.2 -17.2 47 48 A D T 3 S+ 0 0 142 -2,-0.2 -3,-0.0 1,-0.2 161,-0.0 0.529 115.4 58.1 -74.1 -9.2 19.6 13.9 -18.5 48 49 A K T 3 S- 0 0 148 2,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.105 118.9 -96.8-116.0 20.9 18.5 14.1 -22.2 49 50 A G < + 0 0 41 -3,-0.9 -2,-0.1 1,-0.2 2,-0.1 0.499 63.0 160.1 83.6 6.3 16.7 17.4 -22.3 50 51 A T - 0 0 11 -6,-0.1 -5,-2.7 1,-0.1 -4,-0.7 -0.393 27.1-149.4 -61.1 133.3 13.1 16.3 -21.9 51 52 A T E -I 44 0C 17 128,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.762 11.2-154.8-110.2 154.6 11.0 19.2 -20.7 52 53 A L E -I 43 0C 15 -9,-2.3 -9,-2.1 -2,-0.3 2,-1.2 -0.993 21.0-131.1-124.3 133.9 7.9 19.4 -18.5 53 54 A Q E -I 42 0C 22 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.1 -0.750 50.1-175.2 -79.8 95.2 5.4 22.3 -18.7 54 55 A A E -I 41 0C 0 -13,-2.3 -13,-1.9 -2,-1.2 2,-0.3 -0.398 33.6-157.8-101.2 164.8 5.3 22.8 -14.9 55 56 A M E +I 40 0C 13 -15,-0.2 2,-0.3 -2,-0.1 -15,-0.2 -0.983 25.0 179.1-134.8 135.6 3.6 24.8 -12.1 56 57 A T E -I 39 0C 0 -17,-1.8 -17,-2.7 -2,-0.3 2,-0.5 -0.921 34.4-125.7-133.0 154.5 5.3 25.3 -8.8 57 58 A F E > S-IJ 38 60C 1 3,-0.6 3,-1.1 -2,-0.3 -19,-0.2 -0.934 103.1 -7.2 -88.4 126.7 4.9 26.9 -5.4 58 59 A N T 3 S- 0 0 65 -21,-2.1 -20,-0.1 -2,-0.5 -1,-0.1 0.537 120.7 -71.4 67.0 12.2 8.0 29.1 -4.9 59 60 A G T 3 S+ 0 0 15 -22,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.242 107.4 96.2 94.8 -12.8 9.9 27.9 -8.1 60 61 A S B < S-J 57 0C 26 -3,-1.1 -3,-0.6 2,-0.0 -1,-0.2 -0.821 73.6-110.8-116.7 148.1 10.7 24.4 -6.8 61 62 A M S S+ 0 0 7 -2,-0.3 2,-0.2 145,-0.2 147,-0.1 -0.985 108.9 30.0-110.4 117.5 9.3 20.9 -7.0 62 63 A P S S- 0 0 0 0, 0.0 75,-0.2 0, 0.0 3,-0.1 0.629 103.3-120.2 -77.2 171.7 8.3 20.2 -4.4 63 64 A G - 0 0 1 73,-3.1 75,-0.3 -2,-0.2 -5,-0.1 -0.040 48.6 -73.1 -59.1 174.3 7.2 23.4 -2.8 64 65 A P - 0 0 1 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.402 48.6-109.7 -77.4 159.3 8.9 24.4 0.4 65 66 A T - 0 0 3 -48,-0.4 -46,-0.5 -52,-0.3 2,-0.4 -0.784 27.5-150.3 -86.5 121.2 8.1 22.6 3.6 66 67 A L E -k 139 0D 0 72,-1.8 74,-2.8 -2,-0.6 2,-0.4 -0.804 12.4-159.8 -89.6 129.8 6.1 24.8 6.1 67 68 A V E +k 140 0D 7 -2,-0.4 2,-0.2 72,-0.2 74,-0.2 -0.941 24.0 142.2-119.4 127.1 6.7 23.9 9.8 68 69 A V E -k 141 0D 2 72,-2.3 74,-2.2 -2,-0.4 2,-0.3 -0.669 41.1-105.1-137.9-168.7 4.5 24.8 12.8 69 70 A H E > -k 142 0D 17 72,-0.2 3,-2.1 -2,-0.2 2,-0.2 -0.924 43.5 -83.7-126.0 159.4 3.4 23.1 16.1 70 71 A E T 3 S+ 0 0 79 72,-2.9 50,-0.2 -2,-0.3 74,-0.2 -0.413 121.4 25.8 -61.0 122.0 0.2 21.5 17.2 71 72 A G T 3 S+ 0 0 17 48,-2.1 -1,-0.3 1,-0.5 49,-0.1 -0.100 95.6 114.8 108.2 -34.2 -2.1 24.4 18.3 72 73 A D < - 0 0 6 -3,-2.1 47,-2.2 47,-0.3 -1,-0.5 -0.140 63.4-128.0 -57.3 161.7 -0.4 27.1 16.1 73 74 A Y E -bC 31 118A 37 -43,-1.8 -41,-3.1 45,-0.2 2,-0.5 -0.939 12.5-139.0-114.9 140.6 -2.4 28.7 13.3 74 75 A V E -bC 32 117A 0 43,-2.8 43,-2.1 -2,-0.4 2,-0.5 -0.882 18.4-176.5-100.4 129.2 -1.1 28.8 9.8 75 76 A Q E -bC 33 116A 43 -43,-2.8 -41,-2.7 -2,-0.5 2,-0.5 -0.979 10.2-173.8-124.4 114.7 -1.7 32.0 8.0 76 77 A L E -bC 34 115A 1 39,-2.6 39,-2.4 -2,-0.5 2,-0.8 -0.929 20.4-151.3-116.0 129.4 -0.5 31.9 4.3 77 78 A T E -bC 35 114A 36 -43,-3.0 -41,-2.6 -2,-0.5 2,-0.7 -0.893 19.3-160.2 -95.9 113.4 -0.4 34.7 1.8 78 79 A L E -bC 36 113A 0 35,-2.6 35,-1.7 -2,-0.8 2,-0.4 -0.868 9.0-170.1-100.4 115.5 -0.8 33.0 -1.5 79 80 A V E -bC 37 112A 31 -43,-3.2 -41,-3.2 -2,-0.7 33,-0.2 -0.865 16.0-176.2-111.9 139.4 0.4 35.1 -4.5 80 81 A N E - 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