==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 09-JUL-10 3NWG . COMPND 2 MOLECULE: MICROCOMPARTMENTS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; . AUTHOR Y.FAN,L.VOLKART,M.GU,S.AXEN,W.B.GREENLEAF,C.KERFELD,A.JOACHI . 180 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 26.7 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 . 1 0.6 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 . 1 0.6 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 . 11 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 1 0 0 1 0 0 0 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 2 3 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 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 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 0 A A 0 0 128 0, 0.0 2,-0.3 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 140.3 5.6 22.9 29.5 2 1 A X - 0 0 81 1,-0.1 74,-0.5 47,-0.0 48,-0.4 -0.680 360.0 -97.9 -91.9 157.3 3.7 26.2 29.6 3 2 A E - 0 0 72 -2,-0.3 74,-2.2 74,-0.2 2,-0.3 -0.202 29.2-136.5 -73.3 161.2 5.6 29.5 30.3 4 3 A S E -A 48 0A 0 44,-3.5 44,-1.4 72,-0.2 2,-0.4 -0.748 8.3-137.8-109.9 163.8 6.0 31.3 33.6 5 4 A I E -AB 47 74A 0 69,-2.0 69,-2.9 -2,-0.3 2,-0.4 -0.985 16.0-166.3-123.1 137.5 5.8 35.0 34.5 6 5 A G E -AB 46 73A 0 40,-2.5 40,-2.3 -2,-0.4 2,-0.4 -0.958 1.1-166.9-124.8 143.2 8.2 36.9 36.8 7 6 A L E -AB 45 72A 0 65,-3.0 65,-2.3 -2,-0.4 2,-0.4 -0.992 7.5-175.4-132.5 130.8 7.8 40.3 38.4 8 7 A V E -AB 44 71A 0 36,-2.4 36,-2.6 -2,-0.4 2,-0.5 -0.995 8.4-162.9-121.7 128.6 10.3 42.5 40.2 9 8 A E E -AB 43 70A 12 61,-4.2 60,-3.7 -2,-0.4 61,-1.4 -0.961 13.8-171.6-108.2 129.2 9.2 45.8 41.8 10 9 A V E -AB 42 68A 0 32,-3.2 32,-2.5 -2,-0.5 58,-0.2 -0.911 30.0-133.9-126.4 144.5 11.9 48.3 42.6 11 10 A N S S+ 0 0 89 56,-3.3 2,-0.4 -2,-0.3 29,-0.1 0.666 87.3 49.8 -67.2 -24.7 12.0 51.6 44.5 12 11 A S > - 0 0 47 55,-0.2 4,-2.2 1,-0.2 30,-0.1 -0.943 64.5-143.6-119.0 145.4 14.1 53.5 41.9 13 12 A I H > S+ 0 0 79 -2,-0.4 4,-3.1 2,-0.2 5,-0.3 0.975 109.4 52.2 -55.0 -54.3 13.9 54.0 38.2 14 13 A A H > S+ 0 0 76 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.928 115.9 38.0 -49.8 -58.3 17.8 53.9 38.2 15 14 A R H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.816 114.3 56.6 -61.0 -36.2 17.9 50.6 40.1 16 15 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.874 107.3 48.3 -65.4 -39.4 14.9 49.3 38.2 17 16 A I H X S+ 0 0 93 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.872 114.1 46.3 -69.1 -35.3 16.7 49.9 34.9 18 17 A E H X S+ 0 0 87 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.869 112.2 50.9 -73.0 -37.6 19.8 48.1 36.2 19 18 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.916 108.6 51.9 -65.1 -40.7 17.6 45.3 37.6 20 19 A A H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.873 107.6 52.7 -64.4 -36.4 15.9 44.9 34.2 21 20 A D H X S+ 0 0 79 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.903 110.6 46.7 -64.5 -44.7 19.3 44.7 32.5 22 21 A A H X S+ 0 0 18 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.907 112.1 51.8 -59.8 -45.8 20.4 41.9 34.9 23 22 A X H X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.877 109.1 48.2 -63.6 -42.6 17.1 40.1 34.3 24 23 A L H < S+ 0 0 75 -4,-2.3 5,-0.4 1,-0.2 3,-0.3 0.803 116.1 45.4 -66.2 -29.3 17.3 40.1 30.5 25 24 A K H < S+ 0 0 149 -4,-1.1 -2,-0.2 -3,-0.2 -1,-0.2 0.714 96.0 75.5 -87.7 -22.3 20.8 38.9 30.7 26 25 A A H < S- 0 0 45 -4,-1.5 2,-0.3 -3,-0.1 -1,-0.2 0.734 111.2 -27.7 -67.2 -27.3 20.3 36.1 33.2 27 26 A A S < S- 0 0 29 -4,-0.5 2,-1.5 -3,-0.3 -1,-0.1 -0.939 87.9 -57.2-176.3 169.5 18.6 33.6 31.0 28 27 A Q S S+ 0 0 170 -2,-0.3 21,-0.5 -3,-0.0 2,-0.3 -0.599 77.4 139.4 -73.7 90.2 16.4 33.3 27.8 29 28 A V E -C 48 0A 11 -2,-1.5 2,-0.4 -5,-0.4 19,-0.2 -0.935 46.2-131.8-128.0 154.3 13.4 35.4 28.9 30 29 A D E -C 47 0A 107 17,-3.0 17,-2.2 -2,-0.3 2,-0.5 -0.851 22.8-122.2-102.4 143.9 11.3 37.9 27.0 31 30 A L E +C 46 0A 78 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.762 31.0 171.7 -83.9 125.8 10.5 41.4 28.5 32 31 A L E - 0 0 31 13,-2.8 2,-0.3 -2,-0.5 14,-0.2 0.827 68.8 -0.0 -92.6 -47.4 6.8 42.1 28.8 33 32 A E E +C 45 0A 56 12,-1.8 12,-3.4 2,-0.0 -1,-0.4 -0.991 49.9 169.5-152.5 132.3 6.9 45.3 30.7 34 33 A A E +C 44 0A 29 -2,-0.3 10,-0.2 10,-0.2 -17,-0.0 -0.853 37.7 124.4-143.0 107.1 9.6 47.6 32.1 35 34 A K E -C 43 0A 57 8,-1.9 8,-2.7 -2,-0.3 2,-0.3 -0.997 61.4 -97.5-162.9 151.9 8.2 50.9 33.3 36 35 A P E +C 42 0A 77 0, 0.0 6,-0.3 0, 0.0 2,-0.1 -0.612 44.5 178.9 -71.6 132.9 7.8 53.4 36.2 37 36 A V - 0 0 19 4,-2.1 3,-0.2 1,-0.4 93,-0.0 -0.293 46.3 -16.8-112.2-155.5 4.5 53.0 37.9 38 37 A C S > S- 0 0 17 1,-0.2 3,-1.1 -2,-0.1 -1,-0.4 0.034 114.4 -16.5 -43.0 159.8 3.0 54.8 41.0 39 38 A P T 3 S- 0 0 108 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.116 128.6 -32.4 -59.7 127.9 5.5 56.8 43.1 40 39 A G T 3 S+ 0 0 38 -3,-0.2 -27,-0.1 1,-0.2 -2,-0.1 -0.831 97.4 128.7-114.5 27.6 8.2 56.0 42.5 41 40 A K < - 0 0 29 -3,-1.1 -4,-2.1 -5,-0.1 2,-0.4 0.155 34.9-158.0 -42.4 147.7 8.2 52.3 41.7 42 41 A Y E -AC 10 36A 24 -32,-2.5 -32,-3.2 -6,-0.3 2,-0.4 -0.992 14.6-160.0-124.8 136.7 9.7 50.7 38.7 43 42 A I E -AC 9 35A 0 -8,-2.7 -8,-1.9 -2,-0.4 2,-0.4 -0.923 9.4-164.6-121.3 144.3 8.3 47.4 37.6 44 43 A V E -AC 8 34A 0 -36,-2.6 -36,-2.4 -2,-0.4 2,-0.4 -0.997 6.0-176.0-127.4 128.9 9.7 44.6 35.5 45 44 A L E +AC 7 33A 0 -12,-3.4 -13,-2.8 -2,-0.4 -12,-1.8 -0.991 11.0 167.2-122.8 133.1 7.7 41.8 34.0 46 45 A I E -AC 6 31A 0 -40,-2.3 -40,-2.5 -2,-0.4 2,-0.3 -0.911 15.9-156.8-139.6 161.9 9.2 39.0 32.0 47 46 A C E +AC 5 30A 10 -17,-2.2 -17,-3.0 -2,-0.3 2,-0.3 -0.997 32.7 108.8-144.2 147.8 8.2 35.6 30.7 48 47 A G E -AC 4 29A 7 -44,-1.4 -44,-3.5 -2,-0.3 -19,-0.1 -0.911 69.7 -25.8-179.4-156.6 10.0 32.3 29.7 49 48 A D > - 0 0 90 -21,-0.5 4,-3.1 -2,-0.3 5,-0.4 -0.472 67.4-102.6 -74.0 149.2 10.4 28.8 31.1 50 49 A V H > S+ 0 0 72 -48,-0.4 4,-1.8 1,-0.2 5,-0.1 0.838 122.0 40.3 -27.0 -64.3 10.0 28.2 34.8 51 50 A A H > S+ 0 0 71 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.856 114.2 53.0 -68.0 -37.0 13.8 27.9 35.4 52 51 A A H > S+ 0 0 18 -3,-0.3 4,-2.4 1,-0.2 3,-0.2 0.940 110.5 47.4 -63.9 -47.3 14.7 30.8 33.1 53 52 A V H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.866 109.0 56.1 -60.8 -35.0 12.2 33.1 34.9 54 53 A Q H X S+ 0 0 96 -4,-1.8 4,-1.9 -5,-0.4 -1,-0.2 0.884 110.0 43.7 -67.4 -34.7 13.6 32.0 38.2 55 54 A S H X S+ 0 0 59 -4,-1.6 4,-2.8 -3,-0.2 -2,-0.2 0.918 113.3 51.4 -74.0 -44.5 17.2 32.9 37.2 56 55 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 111.5 47.0 -57.4 -48.8 16.0 36.2 35.8 57 56 A V H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.926 112.4 48.9 -62.8 -45.1 14.1 37.1 38.9 58 57 A T H X S+ 0 0 70 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.913 109.1 55.1 -58.7 -41.2 17.0 36.2 41.2 59 58 A A H X S+ 0 0 22 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.926 110.3 44.2 -57.2 -47.2 19.3 38.3 39.0 60 59 A G H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.918 111.8 52.1 -66.7 -44.2 17.1 41.4 39.4 61 60 A K H X S+ 0 0 88 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.861 109.4 53.5 -58.1 -35.3 16.7 40.8 43.2 62 61 A T H < S+ 0 0 95 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.941 114.6 37.6 -63.8 -51.3 20.6 40.6 43.2 63 62 A X H < S+ 0 0 75 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.943 120.8 45.0 -68.7 -47.1 21.1 43.9 41.5 64 63 A A H >< S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.2 -1,-0.2 0.752 79.5 160.5 -72.9 -26.0 18.3 45.8 43.1 65 64 A A G >< + 0 0 50 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 -0.138 69.8 10.1 48.7-113.5 19.0 44.5 46.7 66 65 A H G 3 S+ 0 0 189 1,-0.3 -1,-0.3 -56,-0.0 -2,-0.1 0.572 122.1 65.6 -79.2 -8.5 17.3 46.8 49.4 67 66 A S G < S+ 0 0 15 -3,-2.2 -56,-3.3 -6,-0.1 2,-0.4 0.272 73.2 115.2 -96.0 11.2 15.2 48.8 46.9 68 67 A V E < +B 10 0A 32 -3,-1.1 -58,-0.3 -58,-0.2 3,-0.1 -0.665 37.4 176.4 -76.2 130.7 13.2 45.7 45.9 69 68 A L E - 0 0 91 -60,-3.7 2,-0.3 1,-0.4 -59,-0.2 0.749 67.0 -6.6-102.9 -35.1 9.6 46.2 47.0 70 69 A D E -B 9 0A 57 -61,-1.4 -61,-4.2 2,-0.0 -1,-0.4 -0.971 51.7-171.5-160.1 144.1 8.3 42.9 45.6 71 70 A D E +B 8 0A 57 -2,-0.3 2,-0.3 -63,-0.3 -63,-0.2 -0.984 19.3 173.2-133.4 143.0 9.3 39.9 43.5 72 71 A F E -B 7 0A 47 -65,-2.3 -65,-3.0 -2,-0.3 2,-0.4 -0.997 17.3-163.5-152.8 146.5 6.9 37.3 42.3 73 72 A I E -B 6 0A 47 -2,-0.3 -67,-0.2 -67,-0.2 -2,-0.0 -0.993 0.6-170.6-137.0 129.4 6.7 34.2 40.0 74 73 A L E -B 5 0A 28 -69,-2.9 -69,-2.0 -2,-0.4 3,-0.4 -0.933 17.0-153.0-121.4 104.7 3.6 32.5 38.6 75 74 A P S S+ 0 0 55 0, 0.0 -71,-0.2 0, 0.0 -72,-0.1 -0.431 73.3 18.3 -72.9 148.2 4.4 29.2 36.9 76 75 A N S S- 0 0 90 -74,-0.5 -72,-0.2 1,-0.2 2,-0.2 0.927 84.0-171.2 58.5 49.1 2.2 27.8 34.0 77 76 A V - 0 0 0 -74,-2.2 -74,-0.2 -3,-0.4 -1,-0.2 -0.470 29.6-100.7 -74.4 143.7 0.6 31.1 33.3 78 77 A H >> - 0 0 48 -2,-0.2 3,-1.5 1,-0.1 4,-1.1 -0.440 26.6-125.9 -67.0 132.2 -2.3 31.1 30.9 79 78 A P H 3> S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.767 108.0 59.2 -49.2 -29.9 -1.2 32.3 27.4 80 79 A Q H 3> S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.796 95.6 60.5 -75.1 -30.7 -3.9 35.0 27.4 81 80 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.921 107.7 46.6 -57.3 -43.8 -2.5 36.7 30.5 82 81 A L H X S+ 0 0 16 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.962 113.7 44.9 -67.3 -51.6 0.7 37.3 28.6 83 82 A T H <>S+ 0 0 60 -4,-1.8 5,-1.8 1,-0.2 6,-0.3 0.898 113.5 52.3 -60.5 -38.5 -0.9 38.6 25.4 84 83 A A H ><5S+ 0 0 3 -4,-2.5 3,-1.2 4,-0.2 42,-0.8 0.938 110.1 47.7 -61.3 -48.8 -3.3 40.8 27.4 85 84 A I H 3<5S+ 0 0 11 -4,-2.4 2,-0.6 1,-0.3 -2,-0.2 0.933 106.0 57.5 -56.2 -50.4 -0.4 42.3 29.4 86 85 A S T 3<5S- 0 0 52 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 0.039 116.4-115.6 -73.5 29.5 1.6 43.0 26.2 87 86 A A T < 5S+ 0 0 96 -3,-1.2 -3,-0.2 -2,-0.6 -2,-0.1 0.849 85.6 114.3 37.6 57.5 -1.4 45.1 25.0 88 87 A A < + 0 0 58 -5,-1.8 -4,-0.2 -6,-0.1 -1,-0.1 0.277 21.7 131.0-146.2 7.7 -1.9 42.6 22.2 89 88 A T - 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