==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JUL-08 3DQP . COMPND 2 MOLECULE: OXIDOREDUCTASE YLBE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS SUBSP. LACTIS; . AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,L.MAO,R.XIAO,C.CICCOSANTI, . 219 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.2 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 . 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 . 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 . 14 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 0 2 1 0 0 0 1 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 3 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 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 . 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 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 1 A X 0 0 79 0, 0.0 25,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 172.4 36.6 38.5 2.5 2 2 A K E -a 26 0A 57 23,-0.2 63,-2.5 61,-0.2 64,-1.4 -0.828 360.0-172.8 -92.8 120.5 39.5 36.2 3.4 3 3 A I E -ab 27 66A 0 23,-2.5 25,-3.1 -2,-0.6 2,-0.5 -0.965 13.7-152.4-122.6 127.4 38.7 34.0 6.4 4 4 A F E -ab 28 67A 0 62,-2.6 64,-2.8 -2,-0.5 2,-0.5 -0.858 12.6-155.8 -99.5 131.2 41.0 31.7 8.4 5 5 A I E -ab 29 68A 0 23,-2.8 25,-2.5 -2,-0.5 2,-0.5 -0.908 7.5-167.3-110.8 126.5 39.5 28.7 10.1 6 6 A V E S+ b 0 69A 4 62,-2.7 64,-3.0 -2,-0.5 25,-0.1 -0.961 80.6 33.8-109.7 131.3 41.1 27.0 13.1 7 7 A G S > S+ 0 0 18 -2,-0.5 3,-1.9 23,-0.4 6,-0.5 0.553 73.9 152.5 98.5 15.2 39.5 23.6 14.0 8 8 A S T 3 + 0 0 1 22,-0.8 9,-0.2 -3,-0.4 23,-0.1 0.715 68.1 46.1 -47.1 -37.1 38.8 22.9 10.3 9 9 A T T 3 S+ 0 0 49 21,-0.3 -1,-0.3 4,-0.1 2,-0.1 0.465 93.7 93.7 -97.7 -0.9 38.9 19.1 10.6 10 10 A G S <> S- 0 0 35 -3,-1.9 4,-2.9 60,-0.1 5,-0.2 -0.318 94.1 -95.7 -78.9 173.2 36.8 18.8 13.7 11 11 A R H > S+ 0 0 162 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.907 125.4 39.8 -61.5 -47.2 33.0 18.2 13.5 12 12 A V H > S+ 0 0 14 2,-0.2 4,-2.7 58,-0.2 -1,-0.2 0.924 114.5 55.8 -67.9 -42.0 32.0 21.9 13.8 13 13 A G H > S+ 0 0 0 -6,-0.5 4,-2.5 57,-0.4 -2,-0.2 0.908 106.7 49.0 -54.5 -46.6 34.9 22.9 11.6 14 14 A K H X S+ 0 0 93 -4,-2.9 4,-2.0 -7,-0.2 -1,-0.2 0.868 112.3 48.6 -63.7 -37.3 33.7 20.6 8.8 15 15 A S H X S+ 0 0 29 -4,-1.5 4,-2.8 -5,-0.2 -2,-0.2 0.888 110.8 51.3 -66.6 -39.6 30.2 21.9 9.1 16 16 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.890 108.3 51.0 -66.4 -39.0 31.5 25.5 9.0 17 17 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.932 111.2 48.5 -63.2 -44.2 33.5 24.7 5.8 18 18 A K H < S+ 0 0 140 -4,-2.0 3,-0.5 1,-0.2 4,-0.4 0.945 113.2 48.2 -57.0 -48.3 30.4 23.3 4.2 19 19 A S H >< S+ 0 0 9 -4,-2.8 3,-0.8 1,-0.2 -2,-0.2 0.909 115.4 43.5 -59.5 -43.3 28.4 26.4 5.3 20 20 A L H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 5,-0.3 0.642 93.3 82.6 -79.1 -14.6 31.1 28.8 4.0 21 21 A S T 3< S+ 0 0 31 -4,-1.4 -1,-0.2 -3,-0.5 21,-0.2 0.713 90.3 52.0 -64.2 -20.7 31.6 26.8 0.7 22 22 A T T < S+ 0 0 114 -3,-0.8 -1,-0.3 -4,-0.4 2,-0.2 0.083 96.3 88.9-106.2 20.2 28.6 28.6 -0.8 23 23 A T S < S- 0 0 32 -3,-1.7 -3,-0.0 2,-0.1 19,-0.0 -0.605 86.1-113.2-106.7 173.0 29.7 32.1 -0.0 24 24 A D S S+ 0 0 170 -2,-0.2 -3,-0.1 2,-0.1 2,-0.1 0.342 80.7 113.9 -86.8 5.5 31.9 34.6 -1.9 25 25 A Y - 0 0 24 -5,-0.3 2,-0.6 1,-0.0 -23,-0.2 -0.348 69.5-127.1 -73.7 157.1 34.6 34.4 0.7 26 26 A Q E -a 2 0A 99 -25,-2.2 -23,-2.5 -2,-0.1 2,-0.4 -0.946 31.6-152.7-100.7 117.8 38.0 33.0 0.2 27 27 A I E -ac 3 43A 1 15,-2.8 17,-2.9 -2,-0.6 2,-0.6 -0.808 14.7-165.9-102.1 131.7 38.4 30.3 3.0 28 28 A Y E -ac 4 44A 35 -25,-3.1 -23,-2.8 -2,-0.4 2,-0.9 -0.957 13.9-157.9-115.6 106.0 41.8 29.4 4.4 29 29 A A E -ac 5 45A 0 15,-2.6 17,-2.6 -2,-0.6 2,-0.2 -0.781 5.7-149.8 -95.2 103.2 41.3 26.1 6.4 30 30 A G E + c 0 46A 4 -25,-2.5 -22,-0.8 -2,-0.9 -23,-0.4 -0.505 28.3 158.3 -71.6 137.0 44.0 25.6 9.0 31 31 A A E - c 0 47A 7 15,-2.3 17,-2.0 -2,-0.2 3,-0.3 -0.978 50.0-132.8-159.6 144.9 44.8 22.0 9.8 32 32 A R S S+ 0 0 140 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.905 112.1 33.6 -62.7 -41.4 47.6 19.9 11.2 33 33 A K S > S- 0 0 79 1,-0.1 3,-2.2 -3,-0.1 -1,-0.3 -0.915 75.5-163.7-118.6 101.4 47.2 17.5 8.3 34 34 A V G > S+ 0 0 60 -2,-0.6 3,-1.5 -3,-0.3 -1,-0.1 0.772 85.9 65.1 -58.0 -30.0 46.1 19.5 5.2 35 35 A E G 3 S+ 0 0 145 1,-0.3 -1,-0.3 -4,-0.0 4,-0.1 0.676 93.0 63.7 -67.8 -16.7 45.0 16.4 3.3 36 36 A Q G < S+ 0 0 92 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.554 77.4 104.2 -83.8 -10.6 42.2 16.0 6.0 37 37 A V S < S- 0 0 11 -3,-1.5 8,-0.1 -4,-0.3 -28,-0.1 -0.606 81.4-115.2 -73.8 125.0 40.6 19.2 5.0 38 38 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.307 35.5-109.2 -60.6 146.0 37.4 18.6 3.0 39 39 A Q + 0 0 188 -4,-0.1 2,-0.3 -3,-0.0 5,-0.1 -0.659 46.3 158.6 -88.6 129.4 37.7 19.8 -0.6 40 40 A Y > - 0 0 70 -2,-0.4 3,-1.9 3,-0.4 -22,-0.0 -0.984 48.2-117.8-143.5 149.3 35.7 22.9 -1.7 41 41 A N T 3 S+ 0 0 182 -2,-0.3 -1,-0.1 1,-0.3 -20,-0.0 0.804 116.0 39.9 -57.9 -32.0 36.2 25.2 -4.6 42 42 A N T 3 S+ 0 0 34 -21,-0.2 -15,-2.8 -16,-0.1 2,-0.5 0.191 99.6 93.2-103.3 16.7 36.6 28.3 -2.3 43 43 A V E < -c 27 0A 20 -3,-1.9 2,-0.5 -17,-0.2 -3,-0.4 -0.943 49.7-171.3-115.9 126.5 38.7 26.5 0.4 44 44 A K E -c 28 0A 124 -17,-2.9 -15,-2.6 -2,-0.5 2,-0.3 -0.977 22.6-132.8-112.5 125.8 42.5 26.4 0.6 45 45 A A E -c 29 0A 47 -2,-0.5 2,-0.4 -17,-0.2 -15,-0.2 -0.623 24.5-169.8 -77.8 133.1 44.0 24.1 3.2 46 46 A V E -c 30 0A 28 -17,-2.6 -15,-2.3 -2,-0.3 2,-0.2 -0.988 28.4-111.8-126.8 132.7 46.8 25.7 5.2 47 47 A H E +c 31 0A 91 -2,-0.4 2,-0.3 -17,-0.2 -15,-0.2 -0.456 50.6 159.4 -62.8 125.4 49.2 23.9 7.6 48 48 A F - 0 0 7 -17,-2.0 2,-0.4 -2,-0.2 -15,-0.1 -0.960 21.6-167.1-154.5 133.5 48.3 25.1 11.1 49 49 A D > - 0 0 29 -2,-0.3 3,-1.7 1,-0.1 8,-0.0 -0.991 19.9-149.1-131.7 127.7 49.0 23.5 14.5 50 50 A V T 3 S+ 0 0 30 -2,-0.4 38,-0.1 1,-0.3 -1,-0.1 0.746 99.2 64.5 -63.7 -25.7 47.5 24.5 17.8 51 51 A D T 3 S+ 0 0 108 -3,-0.1 -1,-0.3 37,-0.0 30,-0.0 0.588 83.8 103.5 -74.1 -12.0 50.7 23.5 19.6 52 52 A W S < S- 0 0 50 -3,-1.7 36,-0.1 1,-0.1 -4,-0.0 -0.215 79.3-103.8 -66.1 161.0 52.6 26.2 17.8 53 53 A T > - 0 0 54 1,-0.1 4,-2.6 39,-0.0 5,-0.2 -0.381 35.1-104.6 -74.3 161.0 53.7 29.5 19.4 54 54 A P H > S+ 0 0 13 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.898 123.7 51.4 -53.5 -40.2 51.8 32.7 18.7 55 55 A E H > S+ 0 0 98 2,-0.2 4,-1.0 1,-0.2 -3,-0.0 0.896 109.7 48.3 -66.9 -39.7 54.6 33.9 16.4 56 56 A E H >4 S+ 0 0 94 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.923 114.5 47.0 -62.8 -44.7 54.6 30.6 14.5 57 57 A X H >< S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.2 4,-0.5 0.904 103.4 62.2 -62.0 -44.0 50.8 30.8 14.1 58 58 A A H >X S+ 0 0 16 -4,-2.7 3,-1.1 1,-0.3 4,-0.6 0.777 89.8 69.5 -56.4 -30.0 51.0 34.5 13.0 59 59 A K T << S+ 0 0 169 -4,-1.0 -1,-0.3 -3,-0.5 3,-0.2 0.765 102.8 44.7 -57.4 -28.5 53.1 33.5 9.9 60 60 A Q T <4 S+ 0 0 62 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.546 107.0 60.1 -92.7 -10.4 49.9 31.8 8.5 61 61 A L T X4 + 0 0 0 -3,-1.1 3,-1.9 -4,-0.5 -2,-0.2 0.448 68.1 128.2-102.6 -3.7 47.5 34.7 9.3 62 62 A H T 3< S+ 0 0 152 -4,-0.6 35,-0.1 1,-0.3 34,-0.0 -0.311 79.9 9.9 -59.4 130.8 49.0 37.5 7.4 63 63 A G T 3 S+ 0 0 40 33,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.515 90.6 140.8 79.4 6.2 46.5 39.3 5.1 64 64 A X < - 0 0 20 -3,-1.9 -1,-0.3 1,-0.1 -61,-0.2 -0.552 43.1-155.1 -77.5 147.2 43.4 37.6 6.6 65 65 A D S S+ 0 0 82 -63,-2.5 35,-0.6 1,-0.3 2,-0.3 0.699 76.0 6.1 -92.3 -24.4 40.3 39.6 7.1 66 66 A A E -bd 3 100A 0 -64,-1.4 -62,-2.6 33,-0.1 2,-0.4 -0.986 59.5-147.8-156.4 153.0 38.9 37.5 9.9 67 67 A I E -bd 4 101A 0 33,-2.2 35,-2.6 -2,-0.3 2,-0.5 -0.993 11.2-164.5-125.0 132.8 39.8 34.5 12.0 68 68 A I E -bd 5 102A 0 -64,-2.8 -62,-2.7 -2,-0.4 2,-0.7 -0.981 5.5-156.4-119.3 123.2 37.2 31.9 13.3 69 69 A N E +bd 6 103A 2 33,-3.0 35,-2.5 -2,-0.5 -62,-0.2 -0.882 32.3 148.5-101.2 109.1 38.1 29.6 16.1 70 70 A V + 0 0 9 -64,-3.0 2,-0.5 -2,-0.7 -57,-0.4 -0.222 33.8 134.3-123.0 37.7 36.0 26.4 16.1 71 71 A S + 0 0 16 -59,-0.1 2,-0.3 10,-0.1 -64,-0.1 -0.792 21.1 156.3 -94.9 129.7 38.8 24.3 17.6 72 72 A G - 0 0 51 -2,-0.5 -2,-0.1 -65,-0.1 6,-0.0 -0.909 40.8-137.9-140.8 167.7 38.1 21.8 20.5 73 73 A S > - 0 0 24 -2,-0.3 3,-1.9 -63,-0.0 5,-0.1 0.202 46.7-112.1-111.4 13.3 39.8 18.7 21.8 74 74 A G T 3 S- 0 0 74 1,-0.3 4,-0.0 2,-0.1 -2,-0.0 0.807 75.2 -61.5 56.0 29.5 36.6 16.7 22.5 75 75 A G T 3 S+ 0 0 43 2,-0.1 3,-0.3 1,-0.0 -1,-0.3 0.456 122.5 103.8 80.3 4.5 37.5 17.0 26.2 76 76 A K S < S+ 0 0 189 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.0 0.578 90.0 20.3 -97.5 -15.1 40.7 15.1 25.7 77 77 A S S >>S+ 0 0 43 1,-0.1 4,-2.6 2,-0.0 5,-0.7 -0.342 71.3 155.3-151.5 62.2 43.3 18.0 25.8 78 78 A L I 4>S+ 0 0 29 -3,-0.3 5,-1.7 1,-0.2 6,-0.2 0.857 72.8 45.3 -67.5 -42.0 41.5 20.9 27.5 79 79 A L I 4>S+ 0 0 133 3,-0.2 5,-2.7 4,-0.2 6,-0.3 0.929 120.1 39.5 -68.2 -45.0 44.5 22.8 28.8 80 80 A K I 4>S+ 0 0 134 4,-0.2 5,-1.3 3,-0.2 -2,-0.2 0.887 132.4 17.7 -72.3 -41.1 46.6 22.6 25.6 81 81 A V I <>S+ 0 0 25 -4,-2.6 5,-1.3 3,-0.2 -3,-0.2 0.923 126.5 39.0-100.2 -62.8 43.8 23.1 23.0 82 82 A D I S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 4,-0.4 0.901 109.9 47.0 -60.4 -43.3 45.9 37.4 15.5 94 94 A E H ><5S+ 0 0 68 -4,-1.9 3,-0.9 3,-0.2 -2,-0.2 0.921 112.3 49.6 -66.8 -42.8 47.1 40.6 17.2 95 95 A K H 3<5S+ 0 0 115 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.884 113.7 46.1 -60.6 -39.7 50.7 39.9 16.0 96 96 A A T 3<5S- 0 0 11 -4,-2.6 -33,-0.4 -5,-0.1 -1,-0.3 0.506 114.1-121.8 -81.8 -5.0 49.4 39.4 12.5 97 97 A E T < 5 + 0 0 174 -3,-0.9 2,-0.5 -4,-0.4 -3,-0.2 0.898 60.2 147.2 62.5 45.0 47.3 42.5 12.8 98 98 A V < - 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