==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 22-MAY-07 2V19 . COMPND 2 MOLECULE: DODECIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR B.MEISSNER,L.-O.ESSEN . 810 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 82.8 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 . 433 53.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 . 62 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 18.5 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+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 0 0 0 0 0 0 0 0 1 0 11 0 0 1 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 11 13 0 0 0 0 0 12 0 12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 78 0, 0.0 559,-0.1 0, 0.0 558,-0.1 0.000 360.0 360.0 360.0 -73.2 36.0 24.0 -5.1 2 3 A K - 0 0 107 556,-0.1 557,-0.7 1,-0.0 2,-0.4 -0.281 360.0-160.1 -62.9 140.9 34.5 20.6 -4.3 3 4 A V E -A 558 0A 11 62,-0.4 62,-2.8 555,-0.2 2,-0.3 -0.991 2.8-159.9-121.6 136.4 35.6 17.7 -6.6 4 5 A Y E -AB 557 64A 25 553,-2.5 553,-2.9 -2,-0.4 2,-0.4 -0.832 4.9-147.8-109.2 151.5 33.7 14.5 -7.0 5 6 A K E -AB 556 63A 49 58,-2.5 58,-2.5 -2,-0.3 2,-0.4 -0.919 6.8-153.3-110.1 146.9 34.9 11.1 -8.3 6 7 A K E -AB 555 62A 5 549,-2.3 549,-0.7 -2,-0.4 2,-0.4 -0.971 9.6-170.0-114.2 133.8 32.8 8.6 -10.2 7 8 A V E - B 0 61A 13 54,-2.3 54,-2.9 -2,-0.4 2,-0.7 -0.932 21.0-128.3-120.5 148.7 33.5 4.9 -10.1 8 9 A E E +CB 280 60A 20 272,-0.6 272,-2.8 -2,-0.4 2,-0.3 -0.858 34.8 171.5-103.0 111.2 31.8 2.3 -12.3 9 10 A L E -CB 279 59A 10 50,-2.3 50,-3.1 -2,-0.7 2,-0.5 -0.810 25.2-144.9-117.6 153.9 30.4 -0.7 -10.4 10 11 A V E -CB 278 58A 4 268,-2.8 268,-2.3 -2,-0.3 2,-0.3 -0.955 15.2-162.6-121.3 110.3 28.2 -3.6 -11.4 11 12 A G E -CB 277 57A 0 46,-2.2 46,-2.5 -2,-0.5 2,-0.3 -0.639 7.9-166.8 -83.8 146.9 25.6 -4.8 -8.9 12 13 A T E + B 0 56A 2 264,-0.8 2,-0.3 -2,-0.3 44,-0.2 -0.961 13.3 160.7-131.2 154.7 24.0 -8.2 -9.3 13 14 A S E - B 0 55A 10 42,-1.8 42,-3.2 -2,-0.3 7,-0.2 -0.910 37.6-144.3-167.9 145.0 21.0 -9.9 -7.7 14 15 A E S S+ 0 0 147 -2,-0.3 3,-0.1 40,-0.2 -1,-0.1 0.645 98.5 62.3 -81.1 -14.2 18.7 -12.8 -8.3 15 16 A E S S- 0 0 166 1,-0.2 2,-0.3 40,-0.1 -1,-0.1 0.940 110.8 -70.2 -83.6 -49.3 15.8 -10.9 -6.8 16 17 A G > - 0 0 6 1,-0.1 4,-1.4 39,-0.1 -1,-0.2 -0.982 50.9 -66.7 175.4-169.7 15.4 -7.8 -9.1 17 18 A L H > S+ 0 0 3 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.922 124.0 49.3 -76.0 -46.6 16.8 -4.5 -10.4 18 19 A E H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 110.2 52.8 -56.0 -45.3 16.4 -2.5 -7.2 19 20 A A H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 107.7 52.4 -63.3 -35.6 18.1 -5.3 -5.3 20 21 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -8,-0.3 0.953 109.6 47.0 -62.7 -51.7 21.0 -5.2 -7.8 21 22 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.936 112.0 51.8 -55.9 -45.0 21.5 -1.4 -7.4 22 23 A Q H X S+ 0 0 61 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.883 104.0 56.7 -61.8 -38.3 21.4 -1.8 -3.6 23 24 A A H X S+ 0 0 23 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.933 109.1 46.7 -60.9 -42.6 24.0 -4.5 -3.7 24 25 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.949 114.8 46.0 -62.5 -47.7 26.4 -2.2 -5.4 25 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.913 109.9 54.2 -64.5 -41.2 25.7 0.7 -3.1 26 27 A A H X S+ 0 0 35 -4,-3.2 4,-0.6 2,-0.2 -1,-0.2 0.883 112.1 44.3 -59.2 -41.3 26.0 -1.5 0.0 27 28 A R H >X S+ 0 0 59 -4,-1.9 3,-0.8 -5,-0.2 4,-0.5 0.904 113.0 51.1 -73.6 -41.2 29.4 -2.6 -1.1 28 29 A A H >X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 3,-1.7 0.935 104.3 58.9 -52.2 -47.1 30.5 0.9 -2.0 29 30 A R H 3< S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.698 93.7 67.3 -66.7 -17.7 29.3 2.1 1.4 30 31 A K H << S+ 0 0 148 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.784 120.9 11.8 -72.1 -29.9 31.7 -0.2 3.2 31 32 A T H << S+ 0 0 89 -3,-1.7 2,-0.4 -4,-0.5 -2,-0.2 0.538 115.8 71.7-126.5 -14.0 34.9 1.6 2.0 32 33 A L < - 0 0 52 -4,-2.3 2,-0.3 -5,-0.2 3,-0.3 -0.867 60.3-153.4-114.1 144.4 33.8 4.9 0.5 33 34 A R + 0 0 148 -2,-0.4 33,-0.1 1,-0.2 -3,-0.0 -0.824 68.9 27.4-115.0 152.6 32.5 8.0 2.2 34 35 A H - 0 0 67 -2,-0.3 30,-1.8 1,-0.2 2,-0.4 0.869 68.1-178.3 68.4 38.6 30.2 10.8 1.0 35 36 A L E +D 63 0A 20 -3,-0.3 28,-0.2 28,-0.2 -1,-0.2 -0.594 8.4 167.0 -65.4 125.0 28.4 8.7 -1.5 36 37 A D E - 0 0 62 26,-2.4 148,-2.9 -2,-0.4 2,-0.3 0.827 47.3 -6.5-111.6 -51.3 26.0 11.2 -3.1 37 38 A W E -DE 62 183A 54 25,-1.3 25,-3.1 146,-0.3 -1,-0.3 -0.947 48.2-149.6-149.3 164.7 24.4 9.9 -6.3 38 39 A F E -DE 61 182A 0 144,-2.7 144,-2.1 -2,-0.3 2,-0.4 -0.967 2.9-156.9-138.1 154.1 24.3 7.1 -8.9 39 40 A E E -DE 60 181A 32 21,-2.2 21,-2.9 -2,-0.3 2,-0.6 -1.000 19.4-132.8-129.6 131.9 23.5 6.7 -12.6 40 41 A V E +D 59 0A 23 140,-3.1 140,-0.5 -2,-0.4 19,-0.3 -0.729 25.9 174.3 -84.2 123.3 22.5 3.5 -14.3 41 42 A K E + 0 0 95 17,-3.2 2,-0.3 -2,-0.6 18,-0.2 0.884 62.2 2.1 -96.6 -47.5 24.4 2.9 -17.4 42 43 A E E -D 58 0A 75 16,-1.3 16,-2.2 2,-0.0 2,-0.5 -0.985 51.5-152.4-137.1 152.5 23.3 -0.6 -18.5 43 44 A I E +D 57 0A 17 339,-0.5 339,-3.2 -2,-0.3 2,-0.2 -0.993 36.7 141.4-120.2 122.1 20.9 -3.3 -17.5 44 45 A A E +DF 56 381A 14 12,-2.9 12,-3.2 -2,-0.5 2,-0.3 -0.825 17.6 173.5-139.8-177.1 21.8 -6.8 -18.4 45 46 A G E -DF 55 380A 1 335,-1.9 335,-2.2 -2,-0.2 2,-0.2 -0.986 29.2 -93.7-177.2 176.6 21.6 -10.3 -16.9 46 47 A T E -DF 54 379A 34 8,-1.5 7,-2.1 -2,-0.3 8,-0.7 -0.661 30.9-135.9-105.7 161.7 22.1 -14.1 -17.3 47 48 A I E +D 52 0A 9 331,-2.1 5,-0.2 5,-0.2 2,-0.2 -0.950 26.8 162.2-121.7 135.5 19.5 -16.7 -18.2 48 49 A G E > -D 51 0A 25 3,-3.1 3,-1.2 -2,-0.4 329,-0.1 -0.541 57.9 -64.3-127.1-156.2 18.8 -20.1 -16.7 49 50 A E T 3 S+ 0 0 156 1,-0.2 3,-0.1 -2,-0.2 4,-0.0 0.804 131.0 44.0 -64.1 -32.3 16.0 -22.7 -16.5 50 51 A A T 3 S- 0 0 94 1,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.173 119.3-102.3-103.1 16.6 13.6 -20.4 -14.7 51 52 A G E < S+ D 0 48A 6 -3,-1.2 -3,-3.1 316,-0.1 -1,-0.3 -0.883 95.7 34.8 102.1-130.5 14.2 -17.3 -16.8 52 53 A V E + D 0 47A 15 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.460 55.6 177.0 -61.0 124.0 16.4 -14.6 -15.3 53 54 A K E S+ 0 0 113 -7,-2.1 2,-0.4 1,-0.3 -1,-0.2 0.857 70.9 7.4 -84.5 -53.6 19.1 -16.1 -13.2 54 55 A E E - D 0 46A 22 -8,-0.7 -8,-1.5 -39,-0.0 2,-0.4 -0.991 62.4-145.0-136.3 128.5 20.9 -12.8 -12.3 55 56 A Y E -BD 13 45A 5 -42,-3.2 -42,-1.8 -2,-0.4 2,-0.4 -0.785 20.0-165.7 -85.1 138.7 20.1 -9.2 -12.8 56 57 A Q E -BD 12 44A 50 -12,-3.2 -12,-2.9 -2,-0.4 2,-0.5 -0.985 6.2-173.4-129.1 120.9 23.1 -7.1 -13.5 57 58 A V E -BD 11 43A 1 -46,-2.5 -46,-2.2 -2,-0.4 2,-0.5 -0.962 11.5-153.5-118.3 117.6 23.0 -3.3 -13.3 58 59 A V E +BD 10 42A 10 -16,-2.2 -17,-3.2 -2,-0.5 -16,-1.3 -0.806 27.8 170.7 -87.8 124.5 26.1 -1.3 -14.3 59 60 A L E -BD 9 40A 0 -50,-3.1 -50,-2.3 -2,-0.5 2,-0.5 -0.933 34.8-130.9-135.0 154.7 26.1 2.1 -12.5 60 61 A E E -BD 8 39A 20 -21,-2.9 -21,-2.2 -2,-0.3 2,-0.5 -0.942 23.6-157.8-101.3 129.3 28.3 5.1 -11.9 61 62 A V E -BD 7 38A 0 -54,-2.9 -54,-2.3 -2,-0.5 2,-0.4 -0.942 4.4-157.9-109.9 124.3 28.6 6.1 -8.3 62 63 A G E +BD 6 37A 0 -25,-3.1 -26,-2.4 -2,-0.5 -25,-1.3 -0.853 15.3 171.8-102.8 136.9 29.6 9.6 -7.5 63 64 A F E -BD 5 35A 19 -58,-2.5 -58,-2.5 -2,-0.4 2,-0.2 -0.996 36.0-105.3-143.6 149.2 31.1 10.7 -4.2 64 65 A R E -B 4 0A 89 -30,-1.8 2,-0.3 -2,-0.3 -60,-0.2 -0.516 36.0-128.1 -74.8 132.3 32.7 13.9 -2.8 65 66 A L - 0 0 35 -62,-2.8 -62,-0.4 -2,-0.2 2,-0.1 -0.648 19.1-129.4 -80.4 136.8 36.5 13.7 -2.5 66 67 A E 0 0 84 -2,-0.3 -1,-0.0 1,-0.1 -33,-0.0 -0.418 360.0 360.0 -78.2 165.8 38.0 14.6 0.9 67 68 A E 0 0 224 -2,-0.1 -1,-0.1 0, 0.0 507,-0.0 -0.525 360.0 360.0 -85.4 360.0 40.8 17.1 1.1 68 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 2 B G 0 0 78 0, 0.0 559,-0.1 0, 0.0 560,-0.1 0.000 360.0 360.0 360.0-117.3 13.6 -3.6 -55.5 70 3 B K - 0 0 92 557,-0.1 558,-0.6 1,-0.0 2,-0.4 -0.267 360.0-156.5 -70.0 142.5 16.0 -5.9 -53.5 71 4 B V E -G 627 0A 9 62,-0.4 62,-2.8 556,-0.2 2,-0.3 -0.964 4.7-160.8-122.6 135.1 15.7 -6.3 -49.7 72 5 B Y E -GH 626 132A 26 554,-2.4 554,-2.8 -2,-0.4 2,-0.4 -0.823 5.7-147.6-110.9 154.1 18.4 -7.3 -47.3 73 6 B K E -GH 625 131A 47 58,-2.4 58,-2.0 -2,-0.3 2,-0.4 -0.973 7.2-152.3-116.2 141.7 18.2 -8.8 -43.8 74 7 B K E -GH 624 130A 6 550,-2.8 550,-0.7 -2,-0.4 2,-0.4 -0.922 10.4-170.2-107.9 131.3 20.8 -8.1 -41.1 75 8 B V E - H 0 129A 11 54,-2.2 54,-2.9 -2,-0.4 2,-0.7 -0.926 21.2-127.8-116.7 149.9 21.4 -10.7 -38.3 76 9 B E E +IH 348 128A 20 272,-0.7 272,-2.6 -2,-0.4 2,-0.3 -0.854 34.7 173.1-101.9 112.7 23.4 -10.0 -35.2 77 10 B L E -IH 347 127A 8 50,-2.8 50,-3.1 -2,-0.7 2,-0.5 -0.812 24.5-145.4-115.8 157.4 26.1 -12.7 -34.6 78 11 B V E -IH 346 126A 5 268,-3.3 268,-2.5 -2,-0.3 2,-0.3 -0.969 14.7-164.1-123.5 113.9 28.9 -13.0 -32.1 79 12 B G E -IH 345 125A 0 46,-2.5 46,-2.9 -2,-0.5 2,-0.3 -0.764 7.8-167.3 -93.5 144.1 32.1 -14.6 -33.2 80 13 B T E + H 0 124A 0 264,-1.0 2,-0.3 -2,-0.3 44,-0.2 -0.968 12.9 160.8-130.5 149.8 34.7 -15.8 -30.7 81 14 B S E - H 0 123A 10 42,-1.8 42,-3.3 -2,-0.3 7,-0.1 -0.957 37.7-144.3-163.3 147.7 38.3 -17.0 -31.0 82 15 B E S S+ 0 0 145 -2,-0.3 3,-0.1 40,-0.2 -1,-0.1 0.582 98.2 62.0 -83.0 -10.4 41.3 -17.5 -28.8 83 16 B E S S- 0 0 167 1,-0.3 2,-0.3 40,-0.1 -1,-0.1 0.926 110.7 -67.1 -87.2 -48.8 43.6 -16.4 -31.7 84 17 B G > - 0 0 6 1,-0.1 4,-1.3 39,-0.1 -1,-0.3 -0.985 51.3 -69.3 174.8-174.2 42.6 -12.9 -32.5 85 18 B L H > S+ 0 0 2 -2,-0.3 4,-2.2 2,-0.2 3,-0.3 0.937 123.3 50.0 -71.5 -50.0 40.0 -10.4 -33.8 86 19 B E H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 109.7 52.2 -54.6 -44.6 40.2 -11.5 -37.4 87 20 B A H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.854 107.1 53.7 -64.0 -32.1 39.7 -15.1 -36.4 88 21 B A H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.3 -8,-0.2 0.941 110.0 46.3 -67.5 -45.9 36.6 -14.1 -34.3 89 22 B I H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.930 111.7 51.8 -59.3 -45.6 35.0 -12.4 -37.3 90 23 B Q H X S+ 0 0 58 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.874 105.4 55.5 -61.7 -37.0 35.9 -15.4 -39.6 91 24 B A H X S+ 0 0 21 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.922 109.2 47.1 -62.5 -43.1 34.3 -17.8 -37.1 92 25 B A H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.926 115.1 45.5 -62.2 -46.9 31.0 -15.9 -37.3 93 26 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.898 109.4 55.0 -67.4 -39.5 31.1 -15.7 -41.0 94 27 B A H X S+ 0 0 32 -4,-3.1 4,-0.7 1,-0.2 -1,-0.2 0.895 111.4 44.6 -60.1 -40.0 32.0 -19.3 -41.4 95 28 B R H >< S+ 0 0 46 -4,-1.8 3,-0.6 -5,-0.2 4,-0.4 0.893 112.1 53.4 -74.2 -38.4 29.0 -20.4 -39.4 96 29 B A H >X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 3,-1.8 0.938 104.2 54.6 -54.7 -49.1 26.7 -17.9 -41.2 97 30 B R H 3< S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.705 93.6 72.3 -72.3 -10.1 27.7 -19.3 -44.6 98 31 B K T << S+ 0 0 132 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.741 121.0 8.0 -72.6 -24.5 26.7 -22.8 -43.5 99 32 B T T <4 S+ 0 0 89 -3,-1.8 2,-0.4 -4,-0.4 -2,-0.2 0.506 116.5 75.5-132.1 -13.7 23.0 -21.9 -43.6 100 33 B L < - 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