==== 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 UNKNOWN FUNCTION 08-JAN-08 2VL7 . COMPND 2 MOLECULE: XPD; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR J.H.NAISMITH,K.A.JOHNSON,M.OKE,S.A.MCMAHON,L.LIU,M.F.WHITE, . 459 4 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 3.3 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 . 1 0.2 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 . 40 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 0 1 2 1 1 1 1 0 2 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 2 6 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 1 1 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 . 0 0 1 0 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 9 A R 0 0 231 0, 0.0 4,-0.2 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 19.1 -17.4 41.4 10.9 2 10 A Q > + 0 0 139 2,-0.1 4,-1.5 3,-0.1 3,-0.2 0.665 360.0 45.3 -89.3 -42.0 -20.3 41.0 8.4 3 11 A W H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.786 100.6 67.8 -70.0 -33.0 -19.8 37.2 8.9 4 12 A Q H > S+ 0 0 23 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.933 110.2 34.7 -51.0 -51.2 -19.5 37.5 12.7 5 13 A A H 4 S+ 0 0 81 -3,-0.2 4,-0.5 -4,-0.2 -1,-0.2 0.824 119.1 49.3 -78.2 -35.1 -23.2 38.5 13.0 6 14 A E H < S+ 0 0 131 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.848 114.9 42.5 -76.0 -34.2 -24.6 36.4 10.1 7 15 A K H X S+ 0 0 49 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.544 92.5 87.0 -90.9 -6.5 -22.9 33.1 11.1 8 16 A L H X S+ 0 0 37 -4,-0.6 4,-3.2 -5,-0.2 5,-0.2 0.924 87.6 47.8 -59.4 -51.8 -23.7 33.4 14.9 9 17 A G H > S+ 0 0 42 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.867 112.3 50.9 -59.5 -38.0 -27.2 31.8 14.9 10 18 A E H > S+ 0 0 57 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.940 113.3 44.6 -62.4 -47.7 -25.9 28.9 12.8 11 19 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.935 114.0 49.5 -64.4 -48.8 -23.0 28.3 15.2 12 20 A I H X S+ 0 0 14 -4,-3.2 4,-3.2 1,-0.2 5,-0.2 0.940 113.6 46.1 -53.1 -50.4 -25.2 28.7 18.3 13 21 A N H X S+ 0 0 90 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.852 110.4 52.9 -68.4 -36.9 -27.8 26.3 16.9 14 22 A A H <>S+ 0 0 9 -4,-2.4 5,-2.3 -5,-0.2 3,-0.3 0.963 115.5 41.4 -54.9 -52.8 -25.1 23.8 15.9 15 23 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.887 111.5 53.9 -67.5 -42.6 -23.7 23.8 19.4 16 24 A K H 3<5S+ 0 0 143 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.791 107.0 54.9 -60.5 -29.0 -27.1 23.8 21.2 17 25 A H T 3<5S- 0 0 151 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.218 125.6-100.6 -95.2 13.6 -28.0 20.7 19.2 18 26 A G T < 5S+ 0 0 47 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.482 73.9 140.0 92.8 6.4 -24.9 18.9 20.4 19 27 A K < - 0 0 75 -5,-2.3 2,-0.6 -6,-0.2 239,-0.4 -0.507 54.4-124.0 -84.2 150.4 -22.5 19.3 17.4 20 28 A T E -a 274 0A 12 253,-2.4 255,-2.4 252,-0.2 2,-0.3 -0.878 35.3-131.9 -87.1 120.7 -18.8 20.0 17.6 21 29 A L E -ab 275 259A 0 237,-2.2 239,-3.1 -2,-0.6 2,-0.5 -0.628 17.8-163.8 -83.5 130.1 -18.3 23.1 15.6 22 30 A L E -ab 276 260A 3 253,-2.7 255,-3.2 -2,-0.3 2,-0.5 -0.966 12.9-166.4-110.6 128.0 -15.6 23.4 13.0 23 31 A L E -ab 277 261A 0 237,-2.6 239,-2.0 -2,-0.5 2,-0.5 -0.965 10.7-167.7-126.6 117.2 -14.8 26.9 11.9 24 32 A N E +ab 278 262A 23 253,-2.6 255,-2.7 -2,-0.5 2,-0.3 -0.920 22.0 151.6-104.3 125.5 -12.8 28.0 8.9 25 33 A A - 0 0 0 237,-2.4 6,-0.2 -2,-0.5 3,-0.1 -0.863 42.3-123.4-154.0 112.4 -11.8 31.7 8.8 26 34 A K > - 0 0 48 253,-0.4 3,-2.0 -2,-0.3 4,-0.2 -0.181 50.5 -77.7 -51.8 146.1 -8.7 32.9 7.1 27 35 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 401,-0.0 -0.245 121.4 34.8 -47.0 131.9 -6.3 34.9 9.3 28 36 A G T 3 S+ 0 0 58 -3,-0.1 -2,-0.1 402,-0.0 401,-0.1 0.098 86.6 100.2 103.9 -19.1 -7.5 38.5 9.9 29 37 A L S < S- 0 0 25 -3,-2.0 -25,-0.1 -4,-0.1 -3,-0.1 0.747 94.8-115.5 -69.0 -24.9 -11.2 37.5 9.9 30 38 A G > + 0 0 25 -4,-0.2 4,-1.6 -5,-0.1 3,-0.3 0.904 49.2 167.7 90.8 47.9 -11.2 37.7 13.7 31 39 A K H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.925 76.5 55.6 -52.3 -52.0 -11.9 34.1 14.7 32 40 A T H > S+ 0 0 20 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.835 106.0 50.4 -54.8 -38.5 -11.0 34.8 18.3 33 41 A V H > S+ 0 0 48 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.855 110.7 49.7 -71.1 -36.1 -13.5 37.7 18.6 34 42 A F H X S+ 0 0 0 -4,-1.6 4,-3.2 -3,-0.4 -2,-0.2 0.913 111.3 46.8 -65.5 -46.7 -16.4 35.5 17.2 35 43 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.747 111.4 55.1 -70.0 -21.9 -15.7 32.6 19.6 36 44 A E H X S+ 0 0 0 -4,-1.1 4,-1.4 -5,-0.3 -2,-0.2 0.898 109.9 42.9 -74.1 -47.5 -15.5 35.2 22.3 37 45 A V H X S+ 0 0 58 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.927 111.7 58.9 -58.5 -44.6 -19.0 36.5 21.4 38 46 A L H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.897 103.8 49.5 -49.6 -48.8 -20.0 32.9 21.1 39 47 A G H X>S+ 0 0 0 -4,-1.7 5,-1.7 1,-0.2 4,-0.8 0.893 109.4 51.2 -60.7 -40.7 -19.0 32.1 24.7 40 48 A M H <5S+ 0 0 108 -4,-1.4 3,-0.2 1,-0.2 -1,-0.2 0.838 110.6 48.6 -69.7 -32.4 -20.9 35.1 26.1 41 49 A Q H <5S+ 0 0 123 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.756 110.9 50.0 -78.2 -27.6 -24.1 34.1 24.3 42 50 A L H <5S- 0 0 20 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.548 108.5-121.4 -88.1 -8.8 -23.9 30.4 25.4 43 51 A K T <5S+ 0 0 197 -4,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.807 73.1 120.3 68.7 33.7 -23.5 31.4 29.1 44 52 A K < - 0 0 53 -5,-1.7 -1,-0.3 -6,-0.2 69,-0.2 -0.923 67.0-117.9-119.8 148.4 -20.2 29.5 29.4 45 53 A K E -c 113 0A 72 67,-1.4 69,-2.6 -2,-0.3 2,-0.4 -0.478 40.3-111.8 -71.7 157.4 -16.7 30.8 30.2 46 54 A V E -cd 114 83A 3 36,-2.7 38,-3.4 67,-0.2 2,-0.5 -0.829 28.8-174.2-104.2 135.7 -14.3 30.4 27.4 47 55 A L E -cd 115 84A 0 67,-2.5 69,-2.8 -2,-0.4 2,-0.5 -0.938 9.5-169.5-128.6 104.2 -11.3 28.0 27.4 48 56 A I E -cd 116 85A 0 36,-2.8 38,-2.9 -2,-0.5 2,-0.5 -0.853 6.5-160.9-101.9 124.5 -9.0 28.3 24.4 49 57 A F E +cd 117 86A 0 67,-3.5 69,-2.5 -2,-0.5 38,-0.3 -0.917 20.6 173.3-102.5 124.8 -6.2 25.8 23.7 50 58 A T E - d 0 87A 0 36,-3.1 38,-1.4 -2,-0.5 69,-0.1 -0.749 38.2-120.3-127.9 172.1 -3.6 27.0 21.4 51 59 A R S S+ 0 0 139 -2,-0.2 2,-0.3 36,-0.2 37,-0.1 0.938 86.9 32.6 -77.6 -51.0 -0.2 25.8 20.1 52 60 A T > - 0 0 49 35,-0.1 4,-1.2 1,-0.1 3,-0.4 -0.749 68.9-125.4-117.8 156.3 2.2 28.5 21.2 53 61 A H H > S+ 0 0 123 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.746 111.7 64.6 -67.7 -22.3 2.6 31.0 24.0 54 62 A S H > S+ 0 0 83 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.874 101.5 47.4 -63.8 -41.3 2.7 33.7 21.3 55 63 A Q H > S+ 0 0 35 -3,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.799 104.3 62.8 -70.4 -28.7 -0.9 32.9 20.3 56 64 A L H X S+ 0 0 9 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.829 102.0 50.5 -63.3 -35.1 -1.7 33.0 24.1 57 65 A D H X S+ 0 0 81 -4,-1.1 4,-2.1 -3,-0.2 -1,-0.2 0.909 106.4 54.3 -67.9 -44.9 -0.7 36.7 24.1 58 66 A S H X S+ 0 0 56 -4,-1.4 4,-0.5 1,-0.2 -2,-0.2 0.869 107.1 51.7 -55.7 -40.8 -2.9 37.5 21.1 59 67 A I H >X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.2 3,-0.7 0.890 109.1 50.1 -62.5 -43.1 -5.9 36.0 23.0 60 68 A Y H 3X S+ 0 0 89 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.854 107.0 53.9 -64.8 -38.2 -5.2 38.2 26.0 61 69 A K H 3< S+ 0 0 124 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.596 114.2 42.4 -75.5 -11.5 -4.9 41.4 23.9 62 70 A N H << S+ 0 0 47 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.800 111.9 49.3-102.6 -42.2 -8.4 40.7 22.4 63 71 A A H ><>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-1.6 0.901 108.6 56.1 -61.6 -43.2 -10.4 39.5 25.5 64 72 A K G ><5S+ 0 0 135 -4,-1.7 3,-1.9 1,-0.3 -1,-0.2 0.914 103.6 52.8 -57.1 -45.7 -9.2 42.6 27.4 65 73 A L G 3 5S+ 0 0 125 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.413 105.3 56.0 -76.5 2.6 -10.5 45.0 24.8 66 74 A L G < 5S- 0 0 64 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.253 120.7-109.9-102.9 6.5 -13.9 43.3 25.1 67 75 A G T < 5S+ 0 0 62 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.756 71.0 146.7 69.0 26.1 -14.0 44.0 28.8 68 76 A L < - 0 0 18 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.3 -0.744 54.2-121.4 -95.6 142.4 -13.5 40.3 29.6 69 77 A K - 0 0 117 -2,-0.3 14,-2.3 11,-0.1 13,-2.2 -0.735 43.9-173.3 -80.9 121.7 -11.5 38.9 32.6 70 78 A T E -e 83 0A 27 -2,-0.5 2,-0.3 12,-0.2 14,-0.2 -0.824 17.3-179.2-127.4 155.3 -8.7 36.8 31.1 71 79 A G E -e 84 0A 8 12,-1.8 14,-2.7 -2,-0.3 2,-0.3 -0.993 11.0-148.4-152.1 156.3 -6.0 34.4 32.1 72 80 A F E e 85 0A 137 -2,-0.3 14,-0.2 12,-0.2 6,-0.0 -0.833 360.0 360.0-125.2 160.5 -3.1 32.3 30.7 73 81 A L 0 0 66 12,-1.2 14,-0.6 -2,-0.3 17,-0.1 -0.947 360.0 360.0-148.0 360.0 -1.4 29.0 31.7 74 ! 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 75 139 A R > 0 0 128 0, 0.0 4,-1.9 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0 -0.7 -6.4 27.6 39.9 76 140 A A T 4 + 0 0 86 1,-0.2 4,-0.3 2,-0.2 31,-0.0 0.718 360.0 50.4 -67.2 -22.6 -7.9 30.1 42.4 77 141 A N T >4 S+ 0 0 129 2,-0.1 3,-0.5 1,-0.1 -1,-0.2 0.875 112.2 44.1 -80.7 -42.8 -7.0 33.0 39.9 78 142 A L G >4 S+ 0 0 17 1,-0.2 3,-2.9 2,-0.1 -2,-0.2 0.847 92.3 82.9 -73.8 -34.4 -8.6 31.4 36.8 79 143 A K G 3< S+ 0 0 77 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.736 97.2 39.7 -43.1 -38.9 -11.8 30.3 38.4 80 144 A D G < S+ 0 0 114 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.1 0.296 92.9 116.5 -98.2 10.7 -13.5 33.7 38.1 81 145 A K < - 0 0 58 -3,-2.9 -11,-0.2 1,-0.1 3,-0.1 -0.461 58.9-145.8 -85.9 151.2 -12.2 34.6 34.6 82 146 A D S S+ 0 0 48 -13,-2.2 -36,-2.7 1,-0.3 2,-0.4 0.843 88.9 24.5 -78.5 -37.1 -14.3 35.1 31.5 83 147 A V E -de 46 70A 0 -14,-2.3 -12,-1.8 -38,-0.2 2,-0.4 -0.996 65.0-171.0-137.0 126.5 -11.6 33.7 29.1 84 148 A I E -de 47 71A 0 -38,-3.4 -36,-2.8 -2,-0.4 2,-0.4 -0.967 7.2-163.2-115.2 134.9 -8.8 31.2 29.9 85 149 A A E +de 48 72A 1 -14,-2.7 -12,-1.2 -2,-0.4 2,-0.3 -0.961 16.9 158.6-120.3 133.2 -6.1 30.3 27.4 86 150 A M E -d 49 0A 0 -38,-2.9 -36,-3.1 -2,-0.4 2,-0.2 -0.877 38.3 -97.1-137.6 175.0 -3.7 27.3 27.5 87 151 A T E > -d 50 0A 11 -14,-0.6 3,-1.2 -2,-0.3 4,-0.3 -0.556 44.4 -98.7 -92.3 162.6 -1.5 25.2 25.3 88 152 A Y T >> S+ 0 0 8 -38,-1.4 4,-2.9 1,-0.3 3,-2.4 0.797 114.3 65.5 -53.1 -43.5 -2.5 21.9 23.8 89 153 A P H 3> S+ 0 0 49 0, 0.0 4,-2.7 0, 0.0 8,-0.4 0.860 90.9 67.5 -50.7 -37.9 -0.9 19.5 26.3 90 154 A Y H <4 S+ 0 0 62 -3,-1.2 -2,-0.2 1,-0.2 11,-0.2 0.646 118.0 22.3 -56.9 -21.2 -3.3 20.8 29.0 91 155 A L H <4 S+ 0 0 0 -3,-2.4 -1,-0.2 -4,-0.3 -3,-0.1 0.691 130.2 42.5-106.0 -38.4 -6.2 19.2 27.0 92 156 A F H < S+ 0 0 7 -4,-2.9 2,-0.9 1,-0.1 -2,-0.2 0.656 94.6 75.9 -96.4 -18.2 -4.4 16.5 25.0 93 157 A Q S >X S- 0 0 48 -4,-2.7 4,-2.6 -5,-0.3 3,-1.7 -0.823 72.0-150.4 -94.6 99.1 -1.9 14.9 27.4 94 158 A K H 3> S+ 0 0 151 -2,-0.9 4,-2.4 1,-0.3 -1,-0.2 0.783 93.3 47.8 -36.0 -52.5 -4.1 12.8 29.7 95 159 A P H 3> S+ 0 0 95 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.797 115.7 43.4 -66.4 -30.5 -1.8 13.1 32.7 96 160 A I H X> S+ 0 0 64 -3,-1.7 4,-1.5 -7,-0.2 3,-0.5 0.900 114.0 50.6 -76.8 -45.3 -1.5 17.0 32.4 97 161 A R H 3X S+ 0 0 32 -4,-2.6 4,-3.5 -8,-0.4 3,-0.3 0.911 108.8 52.6 -54.6 -46.2 -5.2 17.4 31.7 98 162 A N H 3< S+ 0 0 79 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.702 106.9 52.7 -67.1 -21.9 -6.0 15.3 34.8 99 163 A S H << S+ 0 0 60 -4,-0.6 3,-0.3 -3,-0.5 -1,-0.2 0.808 120.2 32.5 -80.8 -32.8 -3.8 17.4 37.1 100 164 A V H < S+ 0 0 3 -4,-1.5 8,-1.2 -3,-0.3 2,-0.4 0.877 127.1 39.0 -88.2 -45.5 -5.5 20.7 36.0 101 165 A F S < S+ 0 0 20 -4,-3.5 -1,-0.2 -5,-0.2 9,-0.2 -0.387 85.3 151.4-106.1 54.1 -9.0 19.4 35.4 102 166 A a - 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