==== 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 02-MAY-06 2GVK . COMPND 2 MOLECULE: HEME PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 67.3 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 . 67 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 24 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 0 2 1 0 0 0 1 0 1 0 0 0 0 0 0 0 1 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 . 3 2 1 0 1 1 1 1 2 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 0 0 0 0 0 1 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 8 A F > 0 0 87 0, 0.0 3,-1.9 0, 0.0 166,-0.1 0.000 360.0 360.0 360.0 39.2 55.2 43.8 -3.3 2 9 A G T 3 - 0 0 48 1,-0.3 3,-0.1 174,-0.0 166,-0.0 0.707 360.0 -61.6 59.0 23.0 57.9 43.6 -6.1 3 10 A G T 3 S+ 0 0 67 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.617 102.1 139.7 78.8 14.6 59.9 41.3 -3.8 4 11 A H < - 0 0 58 -3,-1.9 -1,-0.3 297,-0.0 170,-0.0 -0.786 50.8-133.7 -96.0 132.4 60.3 44.1 -1.2 5 12 A I - 0 0 101 -2,-0.5 296,-2.5 -3,-0.1 297,-0.5 -0.723 24.0-140.3 -83.8 121.6 60.0 43.2 2.5 6 13 A P - 0 0 22 0, 0.0 294,-0.1 0, 0.0 171,-0.1 -0.372 16.7-109.0 -77.1 158.1 57.7 45.6 4.3 7 14 A Q - 0 0 1 169,-0.5 2,-2.6 292,-0.2 3,-0.2 -0.234 58.9 -71.4 -67.3 178.6 58.3 46.9 7.8 8 15 A D S > S+ 0 0 33 51,-0.4 3,-0.5 1,-0.2 -1,-0.1 -0.355 82.5 136.8 -79.6 69.6 56.0 45.6 10.6 9 16 A V T 3 S+ 0 0 2 -2,-2.6 -1,-0.2 1,-0.2 249,-0.2 0.485 70.3 46.7 -96.9 -5.2 52.9 47.5 9.4 10 17 A A T 3 S+ 0 0 16 -3,-0.2 -1,-0.2 2,-0.0 152,-0.1 0.075 85.9 131.2-120.7 19.9 50.5 44.6 9.8 11 18 A G < - 0 0 17 -3,-0.5 2,-0.1 1,-0.1 3,-0.1 -0.257 61.4-107.0 -68.0 157.3 51.7 43.7 13.2 12 19 A K - 0 0 90 1,-0.1 2,-0.4 227,-0.0 -1,-0.1 -0.364 48.6 -83.5 -73.2 166.5 49.4 43.2 16.2 13 20 A Q - 0 0 42 225,-0.1 -1,-0.1 -2,-0.1 4,-0.1 -0.611 48.9-124.9 -78.5 129.8 49.3 45.8 18.9 14 21 A G - 0 0 8 -2,-0.4 3,-0.1 1,-0.1 94,-0.1 -0.054 11.5-122.3 -67.4 169.7 52.0 45.4 21.5 15 22 A E S S+ 0 0 89 92,-0.3 123,-2.4 1,-0.3 2,-0.4 0.801 104.1 25.7 -77.7 -34.8 51.6 45.1 25.2 16 23 A N E S-AB 107 137A 34 91,-1.5 91,-1.8 121,-0.2 2,-0.3 -0.990 77.9-174.6-132.0 139.0 53.7 48.3 25.6 17 24 A V E -AB 106 136A 1 119,-2.0 119,-2.6 -2,-0.4 2,-0.4 -0.991 17.6-164.1-142.4 142.8 54.2 51.0 23.1 18 25 A I E -AB 105 135A 5 87,-2.6 87,-2.9 -2,-0.3 2,-0.5 -0.998 7.8-167.2-122.6 125.3 56.1 54.2 22.5 19 26 A F E -AB 104 134A 0 115,-2.9 115,-2.4 -2,-0.4 2,-0.5 -0.980 11.8-178.8-108.8 118.3 55.1 56.7 19.8 20 27 A I E -AB 103 133A 2 83,-2.6 83,-2.5 -2,-0.5 2,-0.5 -0.975 10.4-172.5-120.5 127.1 57.8 59.3 19.1 21 28 A V E -AB 102 132A 6 111,-2.9 110,-2.9 -2,-0.5 111,-1.8 -0.983 12.7-173.8-115.6 124.9 57.4 62.1 16.6 22 29 A Y E -AB 101 130A 18 79,-2.4 78,-2.7 -2,-0.5 79,-2.3 -0.894 17.1-145.6-112.0 149.7 60.5 64.2 15.9 23 30 A N E - B 0 129A 43 106,-2.8 106,-2.2 -2,-0.3 2,-0.2 -0.876 29.3-115.4-103.3 147.2 61.1 67.3 13.9 24 31 A L E - B 0 128A 17 -2,-0.4 104,-0.3 104,-0.2 2,-0.2 -0.539 24.7-140.6 -74.2 147.7 64.4 67.7 12.0 25 32 A T - 0 0 30 102,-2.4 5,-0.1 -2,-0.2 -1,-0.0 -0.566 21.0-115.2 -96.6 173.8 66.8 70.5 13.0 26 33 A D + 0 0 146 -2,-0.2 101,-0.1 4,-0.1 102,-0.0 0.122 66.1 137.6 -96.0 22.2 68.9 72.6 10.7 27 34 A S > - 0 0 33 99,-0.3 3,-1.4 1,-0.1 4,-0.3 -0.269 66.3-117.9 -67.5 156.1 72.2 71.3 12.0 28 35 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.332 114.2 49.3 -78.5 8.9 74.9 70.4 9.5 29 36 A D T 3> S+ 0 0 80 97,-0.1 4,-2.5 2,-0.1 5,-0.2 0.311 80.8 101.2-116.7 -0.5 74.8 66.7 10.6 30 37 A T H <> S+ 0 0 0 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 0.910 82.8 42.9 -61.5 -48.1 71.0 66.2 10.4 31 38 A V H > S+ 0 0 44 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.938 115.8 49.3 -64.7 -44.8 70.8 64.4 7.1 32 39 A D H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 110.8 49.5 -61.6 -41.0 73.8 62.1 7.9 33 40 A K H X S+ 0 0 58 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.921 111.9 48.2 -68.0 -39.2 72.4 61.2 11.4 34 41 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.927 111.2 50.8 -64.6 -41.9 69.0 60.3 9.9 35 42 A K H X S+ 0 0 59 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.866 104.9 57.8 -65.4 -34.0 70.7 58.2 7.2 36 43 A D H X S+ 0 0 64 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.911 108.2 46.3 -60.2 -43.3 72.8 56.4 9.9 37 44 A V H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.944 112.2 50.6 -65.6 -44.7 69.5 55.3 11.6 38 45 A C H >< S+ 0 0 3 -4,-2.4 3,-0.6 1,-0.2 4,-0.4 0.925 112.2 47.9 -54.8 -47.5 68.1 54.3 8.2 39 46 A A H 3< S+ 0 0 48 -4,-3.0 -1,-0.2 1,-0.2 4,-0.2 0.811 121.4 34.8 -64.2 -32.5 71.2 52.2 7.4 40 47 A N H 3X S+ 0 0 56 -4,-1.6 4,-2.2 -3,-0.2 -1,-0.2 0.375 88.1 100.4-107.4 4.3 71.2 50.5 10.8 41 48 A F H S+ 0 0 38 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.870 113.1 54.7 -66.5 -31.8 67.0 46.5 10.5 43 50 A A H > S+ 0 0 36 2,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.878 106.2 51.4 -63.7 -40.6 70.3 45.7 12.5 44 51 A X H X S+ 0 0 20 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.901 112.3 46.1 -64.3 -40.0 68.8 47.4 15.6 45 52 A I H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.919 110.7 53.1 -67.3 -42.6 65.7 45.3 15.2 46 53 A R H X S+ 0 0 155 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.886 107.5 52.5 -57.1 -43.6 67.8 42.1 14.6 47 54 A S H X S+ 0 0 56 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.961 110.7 45.8 -58.7 -49.2 69.7 42.8 17.8 48 55 A X H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.892 115.7 45.6 -61.0 -44.5 66.5 43.1 19.9 49 56 A R H < S+ 0 0 108 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.821 112.8 50.5 -73.3 -29.7 64.9 40.0 18.4 50 57 A N H < S+ 0 0 135 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.920 117.2 40.3 -69.6 -42.1 68.2 38.0 18.7 51 58 A R H < S+ 0 0 122 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.857 132.3 23.4 -74.7 -37.0 68.5 39.0 22.4 52 59 A F >< + 0 0 60 -4,-2.4 3,-1.8 -5,-0.2 5,-0.4 -0.587 67.5 166.6-133.0 67.2 64.8 38.7 23.3 53 60 A P T 3 S+ 0 0 92 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.670 77.9 47.6 -63.1 -18.3 63.2 36.3 20.8 54 61 A D T 3 S+ 0 0 126 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.376 90.5 82.0-103.7 6.9 60.0 35.8 22.8 55 62 A X S < S- 0 0 48 -3,-1.8 53,-2.7 -7,-0.2 54,-0.3 0.307 90.2-129.1 -99.8 9.1 59.3 39.5 23.5 56 63 A Q - 0 0 146 -3,-0.3 2,-0.2 51,-0.2 -2,-0.1 0.847 37.2-172.3 51.0 45.5 57.6 40.4 20.2 57 64 A F + 0 0 2 -5,-0.4 2,-0.3 50,-0.1 50,-0.2 -0.457 11.8 160.8 -74.1 137.2 59.8 43.4 19.6 58 65 A S E -C 106 0A 4 48,-2.6 48,-2.9 -2,-0.2 2,-0.3 -0.996 17.2-178.9-153.4 149.9 59.0 45.7 16.7 59 66 A C E -C 105 0A 1 -2,-0.3 -51,-0.4 46,-0.2 2,-0.3 -0.980 7.5-163.7-144.2 137.5 59.7 49.2 15.5 60 67 A T E -C 104 0A 0 44,-1.8 44,-2.2 -2,-0.3 2,-0.4 -0.934 7.0-155.5-117.9 150.1 58.5 51.0 12.4 61 68 A X E +C 103 0A 0 -2,-0.3 2,-0.3 42,-0.2 42,-0.2 -0.994 15.3 177.5-128.1 128.1 60.1 54.2 11.0 62 69 A G E -C 102 0A 0 40,-2.2 40,-2.3 -2,-0.4 2,-0.4 -0.905 17.8-137.6-132.3 161.3 58.3 56.7 8.9 63 70 A F E -CD 101 297A 0 234,-2.5 234,-2.8 -2,-0.3 38,-0.2 -0.949 17.2-125.0-122.7 137.4 58.9 60.1 7.2 64 71 A G E > - D 0 296A 2 36,-2.7 4,-2.4 -2,-0.4 5,-0.2 -0.226 32.7-108.3 -70.9 163.3 56.8 63.2 6.9 65 72 A A H > S+ 0 0 7 230,-0.5 4,-1.5 1,-0.2 5,-0.2 0.942 117.3 40.1 -64.6 -50.3 56.0 64.6 3.4 66 73 A D H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 115.7 53.0 -64.4 -42.7 58.2 67.7 3.7 67 74 A A H > S+ 0 0 2 32,-0.2 4,-3.0 1,-0.2 5,-0.3 0.877 104.2 56.3 -59.8 -41.5 61.0 65.8 5.5 68 75 A W H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.940 109.7 44.6 -57.0 -47.9 61.1 63.2 2.7 69 76 A T H < S+ 0 0 68 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 115.0 49.1 -68.7 -36.1 61.7 65.8 0.1 70 77 A R H < S+ 0 0 98 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.943 120.0 35.6 -64.7 -47.9 64.4 67.5 2.2 71 78 A L H < S+ 0 0 5 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.852 131.4 26.0 -74.7 -39.7 66.2 64.3 3.1 72 79 A F >< + 0 0 9 -4,-2.8 3,-1.4 -5,-0.3 -1,-0.2 -0.534 63.1 160.6-131.9 63.3 65.9 62.4 -0.2 73 80 A P T 3 S+ 0 0 92 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.703 78.9 44.0 -60.5 -22.3 65.4 64.8 -3.1 74 81 A D T 3 S+ 0 0 150 1,-0.2 3,-0.1 2,-0.0 -5,-0.1 0.333 91.1 81.8-110.7 12.5 66.4 62.3 -5.8 75 82 A K S < S- 0 0 85 -3,-1.4 -1,-0.2 1,-0.3 2,-0.1 0.372 92.6-124.0 -97.8 4.7 64.5 59.2 -4.6 76 83 A G - 0 0 47 -3,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 -0.296 28.9 -99.5 72.6-170.9 61.2 60.1 -6.1 77 84 A K - 0 0 71 -3,-0.1 96,-0.1 -2,-0.1 97,-0.1 -0.989 27.4-100.2-151.6 136.7 58.1 60.3 -3.9 78 85 A P > - 0 0 4 0, 0.0 3,-1.7 0, 0.0 93,-0.0 -0.295 40.4-116.0 -55.3 144.4 55.2 58.0 -3.1 79 86 A K T 3 S+ 0 0 151 1,-0.3 92,-0.0 3,-0.0 0, 0.0 0.789 111.2 35.5 -58.3 -32.6 52.1 59.1 -5.1 80 87 A E T 3 S+ 0 0 63 2,-0.0 2,-1.4 1,-0.0 -1,-0.3 0.253 82.1 119.0-107.3 10.5 50.0 60.0 -2.0 81 88 A L < + 0 0 3 -3,-1.7 2,-0.3 -16,-0.1 216,-0.0 -0.666 38.4 127.8 -83.1 92.3 52.8 61.4 0.2 82 89 A S S S- 0 0 78 -2,-1.4 3,-0.1 214,-0.0 213,-0.1 -0.982 70.6 -81.1-141.2 147.4 51.6 65.0 0.7 83 90 A T - 0 0 79 -2,-0.3 211,-0.1 1,-0.1 213,-0.1 -0.228 58.6-101.5 -51.4 130.6 51.1 67.0 3.9 84 91 A F - 0 0 8 13,-0.1 2,-0.6 211,-0.1 -1,-0.1 -0.280 32.5-136.0 -57.2 131.0 47.8 66.1 5.4 85 92 A S - 0 0 77 -3,-0.1 -1,-0.1 1,-0.1 9,-0.1 -0.853 27.6-108.2 -93.3 121.2 45.2 68.7 4.7 86 93 A E - 0 0 103 -2,-0.6 2,-0.7 10,-0.1 9,-0.2 -0.135 25.5-141.9 -47.0 136.7 43.0 69.5 7.7 87 94 A I E -I 94 0B 6 7,-2.0 7,-3.0 182,-0.0 2,-0.6 -0.926 19.0-170.3-107.5 108.7 39.4 68.2 7.5 88 95 A K E -I 93 0B 101 -2,-0.7 5,-0.2 5,-0.2 2,-0.1 -0.898 4.3-176.3-107.4 113.1 37.1 70.8 9.0 89 96 A G - 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