==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-MAY-05 2CUW . COMPND 2 MOLECULE: PURS; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.YANAI,M.KANAGAWA,G.SAMPEI,G.KAWAI,S.YOKOYAMA,S.KURAMITSU,R . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5862.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 63.9 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 . 20 24.1 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 . 6 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 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 0 0 0 0 0 1 1 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 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 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 P 0 0 71 0, 0.0 48,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 170.8 -12.2 22.7 16.7 2 3 A R E -A 48 0A 136 80,-0.4 80,-3.8 46,-0.2 2,-0.3 -0.798 360.0-172.8 -93.1 132.9 -12.0 19.8 14.3 3 4 A Y E -AB 47 81A 6 44,-3.2 44,-2.4 -2,-0.4 2,-0.5 -0.854 18.2-145.1-124.6 160.0 -8.8 19.7 12.1 4 5 A Q E -AB 46 80A 47 76,-2.2 76,-1.8 -2,-0.3 2,-0.5 -0.992 13.3-162.1-126.1 122.1 -7.7 17.6 9.2 5 6 A A E -AB 45 79A 0 40,-2.9 40,-2.8 -2,-0.5 2,-0.8 -0.888 8.5-151.4-104.7 134.5 -4.0 16.8 8.9 6 7 A T E -AB 44 78A 21 72,-3.4 71,-2.0 -2,-0.5 72,-1.2 -0.898 22.2-173.8-107.0 101.2 -2.6 15.6 5.6 7 8 A L E -AB 43 76A 0 36,-2.6 36,-2.8 -2,-0.8 2,-0.5 -0.852 10.9-160.3-101.4 130.3 0.3 13.4 6.5 8 9 A L E -AB 42 75A 29 67,-2.5 67,-1.3 -2,-0.5 2,-0.6 -0.924 1.1-165.3-108.6 128.7 2.7 12.0 3.9 9 10 A I E +AB 41 74A 3 32,-3.1 32,-2.5 -2,-0.5 2,-0.3 -0.937 24.7 168.4-115.6 107.5 4.8 9.0 4.8 10 11 A E E - B 0 73A 59 63,-2.3 63,-2.3 -2,-0.6 2,-0.2 -0.775 37.8 -94.0-121.9 163.9 7.5 8.6 2.2 11 12 A L E - B 0 72A 29 28,-0.3 61,-0.3 -2,-0.3 3,-0.1 -0.523 39.9-121.4 -75.6 136.9 10.8 6.7 1.6 12 13 A K > - 0 0 80 59,-2.8 3,-1.4 -2,-0.2 -1,-0.1 -0.270 47.3 -75.4 -70.0 165.4 14.0 8.4 2.5 13 14 A K T 3 S+ 0 0 153 1,-0.2 -1,-0.2 59,-0.0 3,-0.1 -0.359 119.5 25.7 -63.7 139.2 16.6 8.9 -0.2 14 15 A G T 3 S+ 0 0 81 1,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.027 86.7 125.5 96.8 -28.8 18.4 5.7 -1.1 15 16 A I S < S- 0 0 49 -3,-1.4 -1,-0.3 56,-0.2 -4,-0.1 -0.494 71.9-108.3 -68.1 129.8 15.7 3.4 0.0 16 17 A L - 0 0 151 -2,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.351 30.0-163.7 -58.6 131.1 14.7 1.0 -2.8 17 18 A D > + 0 0 6 1,-0.2 4,-3.1 2,-0.1 5,-0.3 -0.650 16.0 170.6-119.9 73.6 11.3 2.0 -4.2 18 19 A P H > S+ 0 0 93 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.910 81.4 49.6 -47.7 -49.9 10.1 -1.0 -6.1 19 20 A Q H > S+ 0 0 129 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.937 112.2 48.4 -56.1 -48.9 6.6 0.4 -6.6 20 21 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.930 111.6 48.5 -58.0 -48.6 8.1 3.7 -7.8 21 22 A R H X S+ 0 0 100 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.936 111.6 51.5 -57.1 -45.8 10.4 2.0 -10.2 22 23 A A H X S+ 0 0 57 -4,-3.1 4,-2.4 -5,-0.3 -2,-0.2 0.928 109.6 49.0 -57.2 -47.9 7.5 -0.1 -11.4 23 24 A V H X S+ 0 0 55 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.905 110.2 50.4 -60.2 -43.9 5.3 3.1 -12.0 24 25 A E H X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.970 110.5 51.3 -57.8 -52.4 8.1 4.8 -13.9 25 26 A G H X S+ 0 0 31 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.881 114.2 42.4 -51.3 -46.0 8.5 1.8 -16.1 26 27 A V H X S+ 0 0 74 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.954 108.9 56.0 -68.7 -51.4 4.8 1.6 -16.9 27 28 A L H <>S+ 0 0 53 -4,-3.0 5,-2.9 1,-0.3 -1,-0.2 0.855 111.2 47.6 -48.7 -38.4 4.3 5.4 -17.4 28 29 A K H ><5S+ 0 0 84 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.3 0.895 106.9 53.2 -71.5 -41.9 7.0 5.1 -20.0 29 30 A D H 3<5S+ 0 0 135 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.662 109.6 54.4 -66.7 -12.5 5.6 2.1 -21.7 30 31 A L T 3<5S- 0 0 113 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.240 124.8-100.6-104.5 10.6 2.4 4.2 -21.9 31 32 A G T < 5S+ 0 0 58 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.715 97.8 103.6 79.3 20.5 4.0 7.2 -23.6 32 33 A H < - 0 0 129 -5,-2.9 -4,-0.2 -6,-0.2 -3,-0.1 -0.351 53.6-173.0-129.0 52.5 4.4 9.3 -20.5 33 34 A P - 0 0 93 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.145 6.1-178.2 -50.0 135.6 8.1 9.0 -19.7 34 35 A V - 0 0 53 -10,-0.2 3,-0.1 1,-0.1 -6,-0.1 -0.905 33.5-129.9-133.9 162.6 9.1 10.6 -16.4 35 36 A E S S- 0 0 195 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.885 84.8 -3.2 -80.9 -40.3 12.4 11.0 -14.6 36 37 A E - 0 0 109 -12,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.988 48.5-165.9-158.6 145.0 11.3 9.7 -11.2 37 38 A V - 0 0 26 -2,-0.3 2,-0.5 -3,-0.1 -13,-0.2 -0.995 8.8-171.4-131.8 124.2 8.4 8.3 -9.2 38 39 A R - 0 0 116 -2,-0.4 2,-0.5 -18,-0.1 -2,-0.0 -0.978 12.7-151.6-117.6 124.9 8.4 7.9 -5.4 39 40 A V + 0 0 41 -2,-0.5 -28,-0.3 -22,-0.0 2,-0.2 -0.859 27.5 149.6-102.6 127.3 5.5 6.0 -3.9 40 41 A G - 0 0 38 -2,-0.5 2,-0.4 -30,-0.1 -30,-0.2 -0.657 41.8 -94.0-135.7-167.6 4.4 6.8 -0.4 41 42 A K E -A 9 0A 108 -32,-2.5 -32,-3.1 -2,-0.2 2,-0.4 -0.901 24.6-157.5-117.1 144.8 1.3 6.8 1.8 42 43 A V E -A 8 0A 87 -2,-0.4 2,-0.5 -34,-0.2 -34,-0.2 -0.979 6.2-166.7-121.7 136.1 -1.0 9.7 2.5 43 44 A L E -A 7 0A 54 -36,-2.8 -36,-2.6 -2,-0.4 2,-0.8 -0.988 9.3-157.9-125.6 122.6 -3.2 9.7 5.6 44 45 A E E -A 6 0A 103 -2,-0.5 2,-0.5 -38,-0.2 -38,-0.2 -0.894 21.3-171.7 -96.6 112.3 -6.0 12.2 6.0 45 46 A I E -A 5 0A 33 -40,-2.8 -40,-2.9 -2,-0.8 2,-0.5 -0.943 11.9-163.3-115.7 124.2 -6.5 12.4 9.8 46 47 A V E +A 4 0A 73 -2,-0.5 -42,-0.2 -42,-0.2 -44,-0.0 -0.883 26.5 148.5-103.0 128.6 -9.5 14.3 11.3 47 48 A F E -A 3 0A 23 -44,-2.4 -44,-3.2 -2,-0.5 2,-0.2 -0.993 43.1-107.4-156.7 156.7 -9.1 15.1 15.0 48 49 A P E +A 2 0A 96 0, 0.0 2,-0.3 0, 0.0 -46,-0.2 -0.534 38.6 168.2 -87.1 154.8 -10.2 17.7 17.6 49 50 A A - 0 0 11 -48,-1.9 3,-0.1 -2,-0.2 6,-0.0 -0.979 44.1-116.6-159.9 160.8 -7.7 20.2 19.2 50 51 A E S S- 0 0 143 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.874 91.7 -18.8 -68.8 -41.9 -7.6 23.3 21.3 51 52 A N S > S- 0 0 71 -50,-0.1 4,-2.2 -3,-0.1 3,-0.2 -0.965 74.2 -87.6-159.3 170.1 -6.1 25.5 18.6 52 53 A L H > S+ 0 0 91 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.808 123.1 53.5 -55.3 -34.4 -4.2 25.4 15.3 53 54 A L H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 110.7 44.8 -69.3 -43.2 -0.8 25.3 17.1 54 55 A E H > S+ 0 0 57 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.817 110.3 57.3 -68.7 -30.7 -1.8 22.3 19.3 55 56 A A H X S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.949 106.1 47.6 -65.3 -48.3 -3.2 20.6 16.2 56 57 A E H X S+ 0 0 91 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.935 111.2 52.8 -58.0 -45.9 0.1 20.8 14.3 57 58 A E H X S+ 0 0 130 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.952 113.6 41.7 -52.7 -55.3 1.8 19.5 17.4 58 59 A K H X S+ 0 0 91 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.906 113.0 54.5 -59.9 -43.8 -0.5 16.5 17.6 59 60 A A H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.937 109.5 47.3 -56.0 -48.7 -0.4 16.0 13.8 60 61 A K H X S+ 0 0 81 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.890 108.2 56.0 -60.7 -40.6 3.4 15.9 13.9 61 62 A A H X S+ 0 0 61 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.910 108.7 46.6 -59.4 -43.5 3.3 13.4 16.8 62 63 A X H X S+ 0 0 57 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.844 110.9 52.5 -69.3 -32.1 1.1 11.0 14.8 63 64 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.916 107.9 50.6 -67.5 -42.8 3.4 11.4 11.8 64 65 A A H < S+ 0 0 60 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.805 111.4 50.3 -63.8 -28.9 6.4 10.5 13.9 65 66 A L H < S+ 0 0 145 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.836 112.8 44.7 -78.3 -34.3 4.5 7.5 15.2 66 67 A L H < S+ 0 0 73 -4,-1.8 2,-0.4 -5,-0.1 -2,-0.2 0.702 95.7 88.8 -83.9 -22.0 3.6 6.3 11.7 67 68 A A S < S- 0 0 12 -4,-1.8 7,-0.1 -5,-0.1 -58,-0.0 -0.666 78.2-127.4 -86.3 127.6 7.0 6.8 10.0 68 69 A N > - 0 0 68 -2,-0.4 4,-3.4 1,-0.2 3,-0.1 -0.621 20.4-139.4 -73.1 114.1 9.5 3.9 10.1 69 70 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.773 96.8 36.2 -40.5 -44.8 12.7 5.6 11.5 70 71 A V T 4 S+ 0 0 124 1,-0.1 -58,-0.1 -58,-0.0 -2,-0.0 0.857 128.7 29.8 -83.3 -38.8 15.1 3.8 9.2 71 72 A X T 4 S+ 0 0 83 -3,-0.1 -59,-2.8 -60,-0.1 2,-0.2 0.799 115.5 37.8 -94.1 -34.4 13.0 3.7 6.0 72 73 A E E < -B 11 0A 15 -4,-3.4 2,-0.3 -61,-0.3 -61,-0.2 -0.703 46.4-158.1-126.6 171.4 10.7 6.8 6.0 73 74 A V E -B 10 0A 64 -63,-2.3 -63,-2.3 -2,-0.2 2,-0.3 -0.947 22.1-142.0-136.8 151.3 10.2 10.4 6.8 74 75 A Y E -B 9 0A 70 -2,-0.3 2,-0.3 -65,-0.2 -65,-0.2 -0.727 10.8-163.2-112.4 169.4 6.8 12.0 7.4 75 76 A A E -B 8 0A 36 -67,-1.3 -67,-2.5 -2,-0.3 2,-1.6 -0.935 23.6-135.4-155.4 127.4 5.6 15.4 6.3 76 77 A L E +B 7 0A 40 -2,-0.3 -69,-0.2 -69,-0.2 3,-0.1 -0.712 31.5 176.5 -82.3 90.9 2.6 17.5 7.5 77 78 A E E - 0 0 130 -71,-2.0 2,-0.3 -2,-1.6 -1,-0.2 0.832 62.8 -1.1 -67.0 -35.5 1.7 18.5 3.9 78 79 A A E -B 6 0A 44 -72,-1.2 -72,-3.4 -3,-0.2 2,-0.3 -0.994 54.3-174.1-158.0 152.3 -1.4 20.3 5.1 79 80 A L E +B 5 0A 41 -2,-0.3 2,-0.3 -74,-0.2 -74,-0.2 -0.945 18.3 162.1-150.3 122.8 -3.4 21.2 8.2 80 81 A K E -B 4 0A 123 -76,-1.8 -76,-2.2 -2,-0.3 2,-0.2 -0.997 39.4-110.5-146.8 151.1 -6.8 23.0 8.2 81 82 A E E -B 3 0A 117 -2,-0.3 -78,-0.3 -78,-0.2 -2,-0.0 -0.542 36.1-137.2 -75.4 143.3 -9.7 23.6 10.5 82 83 A L 0 0 19 -80,-3.8 -80,-0.4 -2,-0.2 -1,-0.0 -0.720 360.0 360.0-100.2 154.8 -12.8 21.8 9.4 83 84 A P 0 0 174 0, 0.0 -1,-0.1 0, 0.0 -81,-0.1 -0.249 360.0 360.0 -56.7 360.0 -16.3 23.4 9.5