==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUN-07 2Q9U . COMPND 2 MOLECULE: A-TYPE FLAVOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA INTESTINALIS; . AUTHOR A.DI MATTEO,F.M.SCANDURRA,F.TESTA,E.FORTE,P.SARTI,M.BRUNORI, . 816 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 74 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 3 0 0 0 0 1 1 7 1 2 0 6 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 5 7 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 PARALLEL BRIDGES PER LADDER . 1 9 8 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 ANTIPARALLEL BRIDGES PER LADDER . 7 0 0 4 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 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 4 A K 0 0 141 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.8 37.6 -11.7 -4.8 2 5 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 790,-0.1 -0.329 360.0-127.8 -61.6 144.1 34.7 -9.9 -6.4 3 6 A K + 0 0 85 1,-0.1 796,-0.1 789,-0.1 795,-0.1 -0.859 49.7 141.1-101.8 112.7 34.2 -6.3 -5.2 4 7 A Y + 0 0 21 -2,-0.7 2,-0.3 794,-0.1 680,-0.2 0.273 56.3 65.2-137.1 8.2 30.7 -5.5 -4.0 5 8 A V S S- 0 0 7 59,-0.1 2,-0.5 679,-0.1 676,-0.1 -0.968 74.4-127.8-125.2 151.6 31.3 -3.2 -1.0 6 9 A Q - 0 0 36 -2,-0.3 2,-0.2 -3,-0.1 62,-0.0 -0.844 25.1-126.2 -93.1 128.3 32.9 0.2 -0.9 7 10 A D - 0 0 61 -2,-0.5 2,-0.5 61,-0.1 10,-0.1 -0.571 23.1-157.9 -72.2 138.0 35.7 0.6 1.6 8 11 A Q - 0 0 7 8,-0.5 8,-2.8 -2,-0.2 2,-0.7 -0.753 9.2-171.4-130.1 81.7 34.9 3.5 3.9 9 12 A E E -A 15 0A 104 -2,-0.5 6,-0.3 6,-0.2 -2,-0.0 -0.642 4.8-179.7 -75.9 110.9 38.0 5.0 5.6 10 13 A M E S- 0 0 19 4,-2.4 -1,-0.2 -2,-0.7 5,-0.2 0.904 71.0 -2.8 -83.5 -41.2 36.6 7.5 8.1 11 14 A I E > S-A 14 0A 10 3,-1.3 3,-2.9 0, 0.0 -1,-0.3 -0.909 111.7 -53.9-141.3 163.6 39.9 8.7 9.4 12 15 A P T 3 S- 0 0 103 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.169 125.2 -6.9 -49.8 118.4 43.4 7.6 8.5 13 16 A G T 3 S+ 0 0 8 1,-0.1 31,-2.9 30,-0.1 2,-0.5 0.484 110.1 106.2 77.8 7.8 43.6 3.8 9.0 14 17 A V E < -AB 11 43A 0 -3,-2.9 -4,-2.4 29,-0.2 -3,-1.3 -0.980 49.5-171.1-123.6 117.8 40.1 3.5 10.6 15 18 A Y E -AB 9 42A 43 27,-2.9 27,-2.8 -2,-0.5 2,-0.6 -0.888 24.9-125.0-115.2 138.6 37.3 2.0 8.4 16 19 A W E + B 0 41A 5 -8,-2.8 -8,-0.5 -2,-0.4 25,-0.2 -0.702 35.0 163.5 -77.1 121.6 33.6 1.7 8.8 17 20 A V + 0 0 2 23,-2.7 49,-0.2 -2,-0.6 24,-0.2 -0.031 38.7 109.7-127.4 29.5 32.7 -2.0 8.4 18 21 A G - 0 0 0 22,-0.5 2,-0.3 47,-0.1 21,-0.2 0.068 63.3-111.9 -87.0-159.6 29.2 -1.8 10.0 19 22 A I E -G 38 0B 0 19,-2.0 19,-2.2 46,-0.0 2,-0.6 -0.987 10.9-130.7-138.1 150.7 25.8 -2.1 8.3 20 23 A V E -G 37 0B 8 -2,-0.3 2,-1.2 17,-0.2 17,-0.3 -0.899 14.8-150.4 -99.8 124.6 22.9 0.2 7.7 21 24 A D E +G 36 0B 12 15,-2.2 15,-1.7 -2,-0.6 3,-0.3 -0.732 24.2 171.1 -95.3 83.3 19.6 -1.3 8.8 22 25 A W S S+ 0 0 26 -2,-1.2 -1,-0.2 1,-0.2 675,-0.1 0.847 71.2 43.6 -60.9 -34.4 17.3 0.5 6.3 23 26 A M S S+ 0 0 55 -3,-0.2 -1,-0.2 12,-0.1 12,-0.1 0.634 75.9 116.3 -96.3 -16.4 14.2 -1.5 7.1 24 27 A V + 0 0 17 -3,-0.3 11,-0.5 1,-0.2 3,-0.1 -0.319 23.9 160.6 -63.1 131.1 14.0 -1.8 10.9 25 28 A R + 0 0 75 1,-0.4 7,-1.2 9,-0.1 2,-0.4 0.582 67.1 38.5-122.7 -24.1 10.9 0.0 12.3 26 29 A I E +H 31 0C 95 5,-0.2 2,-0.5 6,-0.1 -1,-0.4 -0.995 64.1 177.9-130.3 123.9 10.5 -1.6 15.8 27 30 A F E > S-H 30 0C 17 3,-2.3 3,-2.3 -2,-0.4 -3,-0.0 -0.909 77.0 -32.0-135.0 104.1 13.6 -2.3 17.8 28 31 A H T 3 S- 0 0 106 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.867 126.7 -48.8 49.4 40.4 13.0 -3.7 21.2 29 32 A G T 3 S+ 0 0 37 1,-0.3 2,-0.5 3,-0.0 -1,-0.3 0.381 110.8 128.7 81.4 -4.3 9.8 -1.7 21.2 30 33 A Y E < -H 27 0C 0 -3,-2.3 -3,-2.3 265,-0.1 2,-1.4 -0.710 63.2-129.6 -80.0 127.6 11.6 1.5 20.1 31 34 A H E -H 26 0C 58 -2,-0.5 2,-1.7 -5,-0.2 -5,-0.2 -0.660 24.1-169.0 -79.8 96.8 9.8 3.0 17.1 32 35 A T > + 0 0 1 -2,-1.4 3,-1.9 -7,-1.2 -1,-0.1 -0.600 13.6 170.9 -89.1 77.0 12.8 3.4 14.8 33 36 A D T 3 S+ 0 0 71 -2,-1.7 -1,-0.2 1,-0.3 3,-0.1 0.770 79.2 41.0 -62.7 -27.1 11.0 5.6 12.2 34 37 A E T 3 S- 0 0 69 1,-0.4 141,-2.7 139,-0.4 -1,-0.3 0.105 110.1-122.1-107.2 23.1 14.3 6.3 10.4 35 38 A G < - 0 0 0 -3,-1.9 -1,-0.4 -11,-0.5 2,-0.3 -0.318 28.7-124.0 71.5-160.1 15.9 2.8 10.7 36 39 A S E -G 21 0B 0 -15,-1.7 -15,-2.2 138,-0.2 2,-0.3 -0.890 9.3-130.7-157.6-170.1 19.3 2.4 12.4 37 40 A S E -G 20 0B 2 -17,-0.3 2,-0.6 -2,-0.3 -17,-0.2 -0.962 8.4-140.4-147.8 158.4 22.8 1.2 11.8 38 41 A Y E -G 19 0B 0 -19,-2.2 -19,-2.0 -2,-0.3 2,-0.4 -0.953 29.1-154.9-119.5 100.0 25.2 -1.1 13.7 39 42 A N + 0 0 1 187,-2.4 2,-0.3 -2,-0.6 14,-0.1 -0.672 18.8 172.9 -87.1 131.6 28.5 0.5 13.3 40 43 A S - 0 0 0 -2,-0.4 -23,-2.7 12,-0.1 -22,-0.5 -0.928 17.3-146.5-129.5 153.9 31.7 -1.7 13.6 41 44 A Y E -BC 16 51A 3 10,-1.8 10,-2.9 -2,-0.3 2,-0.5 -0.958 6.8-150.1-132.0 142.7 35.2 -0.4 12.8 42 45 A F E -BC 15 50A 4 -27,-2.8 -27,-2.9 -2,-0.4 2,-0.6 -0.962 10.7-156.7-111.0 126.9 38.4 -1.8 11.3 43 46 A I E -BC 14 49A 1 6,-3.3 6,-1.9 -2,-0.5 2,-1.3 -0.904 10.2-145.3-104.1 117.1 41.7 -0.5 12.5 44 47 A D + 0 0 87 -31,-2.9 2,-0.2 -2,-0.6 -2,-0.0 -0.675 51.1 125.1 -82.4 94.8 44.6 -1.0 10.0 45 48 A D S S- 0 0 18 -2,-1.3 91,-0.2 91,-0.1 -32,-0.0 -0.778 80.1 -79.7-139.3-174.9 47.5 -1.6 12.3 46 49 A E S S+ 0 0 143 1,-0.3 90,-0.2 -2,-0.2 -2,-0.0 0.860 132.7 40.2 -59.9 -34.7 50.3 -4.1 13.0 47 50 A C S S- 0 0 34 88,-2.8 -1,-0.3 28,-0.0 28,-0.1 -0.902 101.0-135.6-110.0 94.7 47.7 -6.1 14.9 48 51 A P - 0 0 21 0, 0.0 28,-2.3 0, 0.0 29,-1.7 -0.323 29.3-163.1 -60.6 131.4 44.6 -5.7 12.7 49 52 A T E -Cd 43 77A 0 -6,-1.9 -6,-3.3 27,-0.2 2,-0.4 -0.949 19.8-159.1-130.7 135.7 41.7 -4.9 15.0 50 53 A V E -Cd 42 78A 0 27,-2.7 29,-3.4 -2,-0.4 2,-0.6 -0.939 11.8-150.5-110.0 133.8 37.9 -4.9 14.7 51 54 A I E -Cd 41 79A 0 -10,-2.9 -10,-1.8 -2,-0.4 29,-0.2 -0.937 60.1 -26.0-105.6 118.8 35.7 -2.9 17.1 52 55 A D - 0 0 2 27,-3.7 2,-0.2 -2,-0.6 36,-0.1 0.322 62.1-120.9 66.8 164.7 32.3 -4.4 17.8 53 56 A S - 0 0 0 34,-2.1 2,-0.3 -14,-0.1 35,-0.2 -0.391 23.0-116.8-118.8-158.5 30.0 -6.8 15.7 54 57 A V - 0 0 0 -2,-0.2 36,-1.9 34,-0.1 33,-0.3 -0.919 40.9 -67.4-141.7 166.8 26.5 -6.5 14.3 55 58 A K > - 0 0 38 31,-1.0 3,-2.4 -2,-0.3 31,-0.1 -0.291 55.9-110.0 -58.0 137.7 23.0 -8.1 14.7 56 59 A Y G > S+ 0 0 150 1,-0.3 3,-1.8 29,-0.2 4,-0.2 0.710 111.6 65.7 -49.8 -33.3 23.1 -11.8 13.3 57 60 A P G 3 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.781 106.5 45.5 -60.8 -20.5 20.9 -11.2 10.2 58 61 A F G <> S+ 0 0 32 -3,-2.4 4,-2.3 1,-0.2 5,-0.2 0.178 77.7 114.9-105.8 12.7 23.7 -8.9 8.8 59 62 A A H <> S+ 0 0 2 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.858 75.5 47.8 -54.0 -46.4 26.7 -11.2 9.7 60 63 A E H > S+ 0 0 109 -4,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.841 111.3 51.1 -71.1 -34.6 27.8 -11.9 6.1 61 64 A E H > S+ 0 0 12 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 112.1 46.9 -62.0 -48.3 27.6 -8.3 5.1 62 65 A W H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.915 113.4 48.2 -57.6 -47.1 29.8 -7.3 8.1 63 66 A L H X S+ 0 0 6 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.897 109.7 54.1 -64.8 -37.0 32.2 -10.1 7.3 64 67 A S H X S+ 0 0 22 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.901 108.9 47.8 -62.9 -44.9 32.3 -9.0 3.7 65 68 A R H X S+ 0 0 10 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.914 114.0 46.9 -61.6 -43.8 33.2 -5.4 4.7 66 69 A I H >X S+ 0 0 0 -4,-2.4 4,-2.5 -49,-0.2 3,-1.2 0.949 110.5 51.9 -61.4 -49.9 36.0 -6.7 7.1 67 70 A A H 3< S+ 0 0 50 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.777 101.5 61.5 -60.3 -27.6 37.4 -9.1 4.5 68 71 A A H 3< S+ 0 0 47 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.831 114.3 35.8 -69.1 -28.8 37.6 -6.2 2.0 69 72 A C H << S- 0 0 37 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.2 0.799 136.7 -5.9 -86.2 -39.4 40.0 -4.5 4.4 70 73 A C S < S- 0 0 13 -4,-2.5 -1,-0.3 -5,-0.1 5,-0.1 -0.944 78.6 -96.7-160.1 136.1 41.9 -7.6 5.8 71 74 A P > - 0 0 73 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.288 38.5-122.4 -55.7 142.4 41.6 -11.4 5.4 72 75 A L G > S+ 0 0 36 1,-0.3 3,-1.2 2,-0.2 28,-0.3 0.839 111.0 59.4 -59.4 -35.0 39.6 -12.7 8.4 73 76 A D G 3 S+ 0 0 83 1,-0.2 -1,-0.3 25,-0.1 25,-0.1 0.578 101.5 56.7 -70.0 -9.7 42.5 -15.0 9.4 74 77 A K G < S+ 0 0 137 -3,-1.8 2,-0.4 25,-0.1 -1,-0.2 0.495 76.2 110.4 -99.5 -5.3 44.7 -11.9 9.8 75 78 A I < - 0 0 0 -3,-1.2 25,-0.2 -4,-0.4 -26,-0.2 -0.585 43.3-178.2 -67.6 122.1 42.5 -10.2 12.3 76 79 A K + 0 0 83 -28,-2.3 26,-2.4 -2,-0.4 2,-0.4 0.818 62.5 27.1 -90.5 -39.8 44.3 -10.3 15.7 77 80 A Y E -de 49 102A 32 -29,-1.7 -27,-2.7 24,-0.2 2,-0.5 -0.985 50.0-170.1-130.9 138.0 41.8 -8.6 18.0 78 81 A V E -de 50 103A 0 24,-2.1 26,-2.7 -2,-0.4 2,-0.5 -0.976 21.5-155.0-119.9 112.6 38.0 -8.1 18.1 79 82 A V E -de 51 104A 1 -29,-3.4 -27,-3.7 -2,-0.5 2,-0.5 -0.799 5.4-162.5 -92.1 126.3 37.1 -5.6 20.7 80 83 A M + 0 0 2 24,-2.4 26,-0.4 -2,-0.5 3,-0.1 -0.934 14.4 176.9-114.7 117.3 33.6 -5.9 22.2 81 84 A N S S+ 0 0 1 -2,-0.5 73,-1.6 1,-0.2 2,-0.3 0.600 72.3 12.6 -89.5 -16.8 32.2 -2.9 24.1 82 85 A H - 0 0 0 71,-0.2 -1,-0.2 5,-0.1 71,-0.1 -0.973 58.6-141.7-167.6 140.8 28.8 -4.3 24.9 83 86 A A + 0 0 0 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.489 57.1 126.2 -98.7 -3.9 27.1 -7.8 24.7 84 87 A E S > S- 0 0 25 1,-0.1 3,-2.0 3,-0.1 4,-0.4 -0.249 71.4-114.2 -57.6 142.3 23.6 -6.7 23.5 85 88 A G G >> S+ 0 0 21 1,-0.3 4,-2.3 3,-0.2 3,-1.0 0.767 109.2 67.6 -50.6 -36.3 22.5 -8.5 20.3 86 89 A D G 34 S+ 0 0 5 1,-0.3 -31,-1.0 2,-0.2 -1,-0.3 0.773 117.3 25.0 -61.2 -25.0 22.5 -5.5 18.0 87 90 A H G <4 S+ 0 0 0 -3,-2.0 -34,-2.1 -33,-0.3 -1,-0.3 0.279 137.2 27.2-113.3 7.3 26.4 -5.3 18.3 88 91 A A T X4 S+ 0 0 0 -3,-1.0 3,-2.3 -4,-0.4 4,-0.3 0.617 81.4 94.6-142.1 -23.1 27.1 -8.9 19.1 89 92 A S T >< S+ 0 0 13 -4,-2.3 3,-1.1 1,-0.3 4,-0.5 0.716 77.5 69.6 -70.6 -19.2 24.8 -11.6 17.9 90 93 A S T 3> S+ 0 0 0 -36,-1.9 4,-1.2 -5,-0.3 -1,-0.3 0.721 88.5 70.0 -60.4 -21.5 26.7 -12.4 14.7 91 94 A L H <> S+ 0 0 0 -3,-2.3 4,-1.7 -37,-0.2 -1,-0.2 0.825 82.2 71.9 -69.1 -28.9 29.3 -13.9 17.0 92 95 A K H <4 S+ 0 0 119 -3,-1.1 27,-0.3 -4,-0.3 -1,-0.2 0.933 117.3 15.8 -47.6 -55.0 27.1 -16.8 18.0 93 96 A D H 4 S+ 0 0 124 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.546 136.2 39.3 -92.7 -23.9 27.4 -18.6 14.6 94 97 A H H >< S+ 0 0 26 -4,-1.2 3,-1.8 1,-0.1 4,-0.3 0.386 74.1 100.0-116.6 -2.9 30.4 -16.7 13.2 95 98 A Y G >< S+ 0 0 17 -4,-1.7 3,-1.7 1,-0.3 -3,-0.1 0.860 77.4 66.5 -67.7 -30.6 33.1 -16.1 15.7 96 99 A H G 3 S+ 0 0 118 1,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.660 82.7 78.3 -59.2 -17.9 35.2 -19.0 14.6 97 100 A K G < S+ 0 0 77 -3,-1.8 2,-1.5 1,-0.2 -1,-0.3 0.752 77.5 72.9 -68.5 -22.8 35.7 -17.2 11.3 98 101 A F S X S+ 0 0 7 -3,-1.7 3,-1.3 -4,-0.3 -1,-0.2 -0.653 71.0 178.6 -87.7 78.5 38.3 -15.1 13.0 99 102 A T T 3 S+ 0 0 101 -2,-1.5 -1,-0.2 1,-0.3 -26,-0.1 0.807 75.9 28.4 -54.0 -40.4 40.8 -18.0 13.1 100 103 A N T 3 S+ 0 0 104 -28,-0.3 -1,-0.3 -25,-0.2 2,-0.1 0.325 96.2 117.5-108.7 8.9 43.6 -16.1 14.7 101 104 A A < - 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