==== 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 16-SEP-04 1XG5 . COMPND 2 MOLECULE: ARPG836; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KAVANAGH,S.NG,S.SHARMA,M.VEDADI,F.VON DELFT,J.R.WALKER,S.D . 1012 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 802 79.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 140 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.4 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 . 91 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 39.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.9 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 3 1 0 1 1 1 4 5 6 2 3 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 8 4 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 0 0 0 0 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 . 0 0 0 0 0 0 0 0 0 0 0 0 2 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 A 0 0 95 0, 0.0 5,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 147.2 14.7 70.0 39.6 2 3 A R > - 0 0 79 1,-0.1 3,-2.7 3,-0.1 4,-0.4 -0.343 360.0 -88.5 -59.0 140.8 15.5 72.0 36.5 3 4 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 235,-0.0 -0.340 120.0 27.6 -51.1 132.9 13.6 75.3 36.1 4 5 A G T 3 S+ 0 0 24 -3,-0.1 3,-0.2 235,-0.0 -2,-0.1 0.161 102.6 85.7 95.4 -15.8 10.3 74.4 34.3 5 6 A M X + 0 0 1 -3,-2.7 3,-1.5 1,-0.2 4,-0.3 0.585 63.5 84.6 -94.0 -9.7 10.3 70.8 35.6 6 7 A E G > S+ 0 0 116 -4,-0.4 3,-1.9 1,-0.3 -1,-0.2 0.874 83.0 60.3 -57.2 -38.7 8.5 71.5 38.9 7 8 A R G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.627 101.6 54.9 -69.2 -10.9 5.1 71.4 37.3 8 9 A W G X S+ 0 0 0 -3,-1.5 3,-2.4 25,-0.1 -1,-0.3 0.460 75.9 137.0 -98.8 -4.5 5.8 67.8 36.3 9 10 A R T < S- 0 0 174 -3,-1.9 26,-0.2 -4,-0.3 25,-0.1 -0.173 81.6 -4.0 -49.3 127.4 6.6 66.6 39.8 10 11 A D T 3 S+ 0 0 95 24,-3.0 -1,-0.3 1,-0.2 2,-0.2 0.552 99.9 132.0 66.6 6.4 5.0 63.2 40.6 11 12 A R < - 0 0 47 -3,-2.4 25,-2.3 23,-0.1 2,-0.5 -0.597 60.0-108.2 -86.8 158.1 3.2 63.1 37.2 12 13 A L E -a 36 0A 7 -2,-0.2 79,-2.6 23,-0.2 80,-1.8 -0.773 30.7-174.2-101.7 127.5 3.5 59.9 35.2 13 14 A A E -ab 37 92A 0 23,-2.7 25,-2.7 -2,-0.5 2,-0.5 -0.962 14.7-147.8-112.6 133.5 5.5 59.5 32.0 14 15 A L E -ab 38 93A 0 78,-3.0 80,-3.2 -2,-0.4 2,-0.5 -0.868 14.2-170.1 -91.1 128.9 5.5 56.3 29.9 15 16 A V E -ab 39 94A 0 23,-2.9 25,-2.2 -2,-0.5 3,-0.4 -0.960 9.5-152.5-120.3 111.8 8.8 55.7 28.2 16 17 A T E S+a 40 0A 4 78,-2.3 80,-0.2 -2,-0.5 25,-0.2 -0.586 78.0 23.3 -83.1 150.4 8.7 52.9 25.6 17 18 A G S > S+ 0 0 15 23,-1.3 3,-0.5 -2,-0.2 6,-0.4 0.951 73.9 154.4 61.4 53.0 11.9 50.9 24.9 18 19 A A T 3 + 0 0 1 22,-2.1 23,-0.2 -3,-0.4 -1,-0.1 0.358 45.1 90.0 -94.9 4.5 13.4 51.8 28.3 19 20 A S T 3 S- 0 0 30 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.534 101.9 -21.9 -84.0 -5.8 15.6 48.7 28.4 20 21 A G S <> S+ 0 0 35 -3,-0.5 4,-1.7 27,-0.0 3,-0.4 -0.976 103.0 27.9-172.3-177.4 18.6 50.4 26.8 21 22 A G H > S- 0 0 26 -2,-0.3 4,-1.9 1,-0.2 3,-0.1 -0.047 117.4 -11.2 60.7-144.3 19.8 53.2 24.5 22 23 A I H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 134.7 57.4 -62.1 -44.5 17.9 56.4 24.3 23 24 A G H > S+ 0 0 0 -3,-0.4 4,-2.7 -6,-0.4 -1,-0.2 0.873 106.2 47.9 -54.6 -45.3 14.9 55.0 26.2 24 25 A A H X S+ 0 0 22 -4,-1.7 4,-2.7 -7,-0.3 -1,-0.2 0.918 112.9 49.4 -61.8 -44.3 17.0 54.1 29.3 25 26 A A H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.916 112.2 47.4 -63.9 -41.8 18.6 57.5 29.3 26 27 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.936 112.3 50.5 -63.8 -46.9 15.2 59.3 29.0 27 28 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.946 112.1 46.2 -55.7 -50.5 13.8 57.2 31.8 28 29 A R H X S+ 0 0 62 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.901 112.3 51.7 -60.2 -42.8 16.7 57.9 34.1 29 30 A A H X S+ 0 0 8 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.908 110.1 48.2 -63.8 -39.6 16.6 61.6 33.3 30 31 A L H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 -1,-0.2 0.862 111.0 50.1 -71.0 -34.6 12.8 61.9 34.1 31 32 A V H ><5S+ 0 0 0 -4,-2.0 30,-2.1 -5,-0.2 3,-1.5 0.884 107.6 54.8 -69.2 -37.9 13.2 60.0 37.4 32 33 A Q H 3<5S+ 0 0 66 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.852 106.4 53.9 -58.4 -34.2 16.1 62.4 38.3 33 34 A Q T 3<5S- 0 0 20 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.299 125.5 -99.0 -89.1 8.1 13.6 65.2 37.7 34 35 A G T < 5S+ 0 0 6 -3,-1.5 -24,-3.0 1,-0.3 -3,-0.2 0.557 75.8 135.1 90.7 11.0 10.9 63.9 40.0 35 36 A L < - 0 0 0 -5,-2.3 27,-1.6 -26,-0.2 2,-0.5 -0.481 58.3-121.3 -84.2 155.7 8.5 62.1 37.7 36 37 A K E -ac 12 62A 43 -25,-2.3 -23,-2.7 25,-0.2 2,-0.5 -0.899 38.2-163.8 -87.9 128.2 6.9 58.7 38.1 37 38 A V E -ac 13 63A 0 25,-2.9 27,-3.2 -2,-0.5 2,-0.7 -0.979 19.8-157.6-123.1 123.4 8.1 56.8 35.0 38 39 A V E -ac 14 64A 1 -25,-2.7 -23,-2.9 -2,-0.5 2,-0.6 -0.917 20.1-166.7 -92.2 115.1 6.6 53.6 33.6 39 40 A G E -ac 15 65A 0 25,-1.9 27,-2.2 -2,-0.7 2,-0.3 -0.930 8.3-174.0-107.6 121.3 9.5 52.1 31.5 40 41 A C E +ac 16 66A 0 -25,-2.2 -22,-2.1 -2,-0.6 -23,-1.3 -0.880 19.7 124.7-122.2 151.4 8.5 49.3 29.2 41 42 A A E - c 0 67A 7 25,-1.4 27,-2.0 -2,-0.3 3,-0.2 -0.947 64.1 -96.3-173.3 179.1 10.3 46.9 26.9 42 43 A R S S+ 0 0 171 -2,-0.3 2,-1.6 1,-0.2 3,-0.2 0.874 114.9 63.1 -75.5 -35.5 10.6 43.1 26.3 43 44 A T >> + 0 0 78 1,-0.2 3,-0.9 25,-0.1 4,-0.8 -0.587 64.7 167.9 -92.1 75.9 13.9 42.9 28.3 44 45 A V H 3> + 0 0 33 -2,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.736 62.9 72.5 -67.9 -22.7 12.3 43.9 31.6 45 46 A G H 3> S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.844 95.7 51.2 -61.6 -38.2 15.3 42.9 33.7 46 47 A N H <> S+ 0 0 87 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.846 109.7 49.6 -62.4 -41.3 17.4 45.8 32.4 47 48 A I H X S+ 0 0 0 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.856 109.4 51.5 -70.0 -37.1 14.6 48.3 33.4 48 49 A E H X S+ 0 0 104 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.919 109.8 51.5 -61.2 -38.8 14.5 46.7 36.8 49 50 A E H X S+ 0 0 49 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.911 105.1 52.3 -67.8 -43.1 18.2 47.3 37.0 50 51 A L H X S+ 0 0 13 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.912 108.4 55.9 -58.7 -38.1 18.0 50.9 36.0 51 52 A A H X S+ 0 0 20 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.850 105.4 48.4 -59.5 -41.6 15.3 51.2 39.0 52 53 A A H X S+ 0 0 60 -4,-1.6 4,-2.9 -3,-0.2 -1,-0.2 0.888 115.4 46.3 -67.8 -36.2 17.7 49.8 41.7 53 54 A E H X S+ 0 0 100 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.932 113.3 47.9 -69.6 -47.3 20.4 52.3 40.4 54 55 A C H <>S+ 0 0 3 -4,-3.0 5,-2.0 1,-0.2 -2,-0.2 0.912 117.2 44.0 -56.5 -45.7 17.9 55.2 40.3 55 56 A K H ><5S+ 0 0 122 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.889 110.9 53.2 -67.3 -42.8 16.8 54.2 43.8 56 57 A S H 3<5S+ 0 0 110 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.815 105.2 55.7 -60.3 -35.8 20.4 53.7 45.1 57 58 A A T 3<5S- 0 0 58 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.463 114.4-121.1 -77.7 -4.1 21.4 57.2 43.9 58 59 A G T < 5 + 0 0 61 -3,-1.3 -3,-0.2 1,-0.1 -2,-0.1 0.813 46.0 176.8 66.0 35.0 18.5 58.5 46.1 59 60 A Y < - 0 0 64 -5,-2.0 -1,-0.1 1,-0.1 -27,-0.1 -0.316 34.6-128.1 -65.8 155.4 16.6 60.2 43.1 60 61 A P S S+ 0 0 94 0, 0.0 -28,-0.2 0, 0.0 -1,-0.1 0.770 85.8 65.5 -79.0 -27.6 13.2 61.9 43.8 61 62 A G S S- 0 0 11 -30,-2.1 2,-0.4 -7,-0.1 -25,-0.2 -0.145 77.5-125.8 -83.1-175.4 11.2 60.1 41.1 62 63 A T E -c 36 0A 80 -27,-1.6 -25,-2.9 -32,-0.1 2,-0.5 -1.000 5.7-147.0-136.5 136.3 10.4 56.5 40.7 63 64 A L E -c 37 0A 12 -2,-0.4 -25,-0.2 -27,-0.2 -8,-0.1 -0.906 11.4-165.8-102.1 125.1 10.9 54.0 37.9 64 65 A I E -c 38 0A 35 -27,-3.2 -25,-1.9 -2,-0.5 2,-0.1 -0.912 15.9-141.5-108.5 105.9 8.2 51.4 37.5 65 66 A P E -c 39 0A 47 0, 0.0 2,-0.4 0, 0.0 -25,-0.2 -0.458 20.6-175.2 -71.6 147.0 9.4 48.5 35.2 66 67 A Y E -c 40 0A 63 -27,-2.2 -25,-1.4 -2,-0.1 2,-0.6 -0.977 21.6-138.2-140.9 125.4 6.8 47.0 32.8 67 68 A R E +c 41 0A 93 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.714 39.6 154.4 -80.1 118.6 7.2 44.0 30.5 68 69 A C - 0 0 1 -27,-2.0 2,-0.8 -2,-0.6 -25,-0.1 -0.943 37.9-151.2-151.4 124.5 5.5 44.9 27.1 69 70 A D > - 0 0 53 -2,-0.3 3,-2.0 1,-0.1 7,-0.3 -0.869 13.8-160.4 -90.5 108.1 6.0 43.6 23.5 70 71 A L T 3 S+ 0 0 16 -2,-0.8 -1,-0.1 1,-0.3 6,-0.0 0.553 84.4 71.6 -69.8 -9.5 5.0 46.6 21.4 71 72 A S T 3 S+ 0 0 62 1,-0.1 2,-0.6 51,-0.1 -1,-0.3 0.517 91.3 69.1 -82.6 -3.6 4.5 44.4 18.4 72 73 A N <> - 0 0 84 -3,-2.0 4,-1.8 1,-0.2 3,-0.4 -0.927 67.5-162.1-118.9 112.1 1.4 43.0 20.1 73 74 A E H > S+ 0 0 48 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.891 91.7 55.5 -60.6 -42.5 -1.6 45.5 20.5 74 75 A E H > S+ 0 0 125 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.889 106.1 53.0 -56.9 -38.6 -3.3 43.4 23.2 75 76 A D H > S+ 0 0 50 -3,-0.4 4,-2.0 -6,-0.2 -1,-0.2 0.932 110.9 46.6 -60.6 -45.1 -0.0 43.6 25.3 76 77 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 -7,-0.3 5,-0.2 0.917 111.3 51.2 -64.2 -41.9 -0.0 47.4 24.9 77 78 A L H X S+ 0 0 48 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.899 109.6 50.3 -64.1 -40.0 -3.7 47.7 25.8 78 79 A S H X S+ 0 0 58 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.857 108.4 53.7 -61.1 -40.7 -3.1 45.6 29.0 79 80 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.942 109.9 45.3 -61.6 -49.7 -0.2 47.9 29.9 80 81 A F H X S+ 0 0 16 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.843 110.6 55.6 -62.6 -34.4 -2.4 51.0 29.7 81 82 A S H X S+ 0 0 74 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.910 109.3 45.5 -62.5 -42.6 -5.0 49.3 31.6 82 83 A A H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 5,-0.4 0.905 112.4 51.7 -70.8 -37.7 -2.5 48.5 34.4 83 84 A I H X S+ 0 0 2 -4,-2.7 4,-2.2 3,-0.2 6,-0.3 0.920 113.6 44.3 -60.8 -44.2 -1.3 52.1 34.3 84 85 A R H X S+ 0 0 85 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.922 119.1 40.5 -68.1 -44.3 -4.8 53.5 34.6 85 86 A S H < S+ 0 0 95 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.731 129.7 28.1 -80.6 -19.8 -6.0 51.1 37.3 86 87 A Q H < S+ 0 0 134 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.664 135.5 23.5-110.3 -27.5 -2.7 51.2 39.4 87 88 A H H < S- 0 0 55 -4,-2.2 2,-1.6 -5,-0.4 -3,-0.2 0.186 98.3-119.3-130.0 12.2 -1.2 54.6 38.7 88 89 A S < - 0 0 89 -4,-0.9 2,-0.3 -6,-0.2 -4,-0.1 -0.341 68.2 -50.0 79.4 -50.0 -4.2 56.6 37.6 89 90 A G - 0 0 4 -2,-1.6 2,-0.5 -6,-0.3 -77,-0.2 -0.986 57.9 -75.0 166.4-178.4 -3.0 57.5 34.1 90 91 A V + 0 0 0 -2,-0.3 -77,-0.2 41,-0.2 3,-0.1 -0.930 28.5 171.4-117.8 125.3 -0.4 58.8 31.8 91 92 A D S S+ 0 0 14 -79,-2.6 53,-2.0 -2,-0.5 2,-0.4 0.671 75.0 35.8-103.7 -23.7 0.5 62.5 31.4 92 93 A I E -bd 13 144A 0 -80,-1.8 -78,-3.0 51,-0.2 2,-0.5 -0.999 65.1-167.1-132.5 131.4 3.6 62.2 29.2 93 94 A C E -bd 14 145A 0 51,-2.2 53,-2.9 -2,-0.4 2,-0.7 -0.975 1.4-168.7-122.0 115.5 4.1 59.6 26.5 94 95 A I E -bd 15 146A 0 -80,-3.2 -78,-2.3 -2,-0.5 2,-1.5 -0.907 8.1-159.3-103.1 104.9 7.6 59.2 25.0 95 96 A N E + d 0 147A 5 51,-2.4 53,-2.6 -2,-0.7 -80,-0.1 -0.685 40.2 138.7 -85.3 87.4 7.4 57.0 21.9 96 97 A N + 0 0 22 -2,-1.5 -1,-0.2 -80,-0.2 -79,-0.2 0.736 25.2 105.0-102.7 -37.6 10.9 55.8 21.8 97 98 A A + 0 0 22 -3,-0.3 2,-0.3 -75,-0.1 -80,-0.1 -0.286 46.2 136.6 -54.1 135.1 11.0 52.1 20.9 98 99 A G - 0 0 31 -81,-0.1 2,-0.3 2,-0.0 18,-0.1 -0.956 26.5-172.0-171.8 163.5 12.1 51.6 17.3 99 100 A L - 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