==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-FEB-05 1YR3 . COMPND 2 MOLECULE: XANTHOSINE PHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.DANDANELL,R.H.SZCZEPANOWSKI,B.KIERDASZUK,D.SHUGAR, . 1638 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1118 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 215 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 8.1 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 . 6 0.4 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 . 117 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 189 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 393 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.5 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 6 0 6 12 0 6 5 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 6 6 1 5 6 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 6 6 0 6 0 6 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 0 0 0 0 0 0 0 6 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 5 A Q 0 0 228 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.5 34.6 15.3 12.4 2 6 A F - 0 0 81 1,-0.1 143,-0.0 143,-0.0 144,-0.0 -0.770 360.0-101.2-105.3 147.1 32.1 18.2 12.9 3 7 A S - 0 0 43 -2,-0.3 4,-0.1 1,-0.1 -1,-0.1 -0.288 25.3-168.9 -61.3 143.7 30.1 19.1 16.1 4 8 A H > + 0 0 73 2,-0.1 4,-2.0 1,-0.1 3,-0.2 0.184 54.1 111.5-119.0 11.0 26.5 18.0 16.1 5 9 A N H > S+ 0 0 40 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.928 70.9 59.5 -53.3 -49.8 25.5 20.0 19.2 6 10 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.932 108.6 46.1 -46.5 -48.2 23.2 22.3 17.2 7 11 A L H > S+ 0 0 66 -3,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.935 110.9 51.3 -60.7 -48.2 21.2 19.3 16.1 8 12 A F H >X S+ 0 0 25 -4,-2.0 4,-2.6 1,-0.2 3,-0.9 0.960 108.2 53.2 -52.2 -55.2 21.0 17.8 19.6 9 13 A C H 3X S+ 0 0 0 -4,-2.8 4,-3.7 1,-0.3 5,-0.3 0.912 99.9 60.4 -48.3 -50.1 19.8 21.0 21.0 10 14 A I H 3X S+ 0 0 32 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.3 0.884 111.5 40.9 -48.5 -42.2 16.9 21.3 18.5 11 15 A D H X S+ 0 0 4 -4,-3.7 4,-3.6 1,-0.2 3,-1.2 0.905 101.3 62.7 -69.1 -39.5 14.5 22.2 23.1 14 18 A K H 3< S+ 0 0 112 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.799 99.2 57.6 -54.3 -29.9 11.4 20.5 21.5 15 19 A T H 3< S+ 0 0 38 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.816 118.3 30.0 -71.2 -30.5 11.0 18.6 24.7 16 20 A Y H << S+ 0 0 65 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.749 134.3 27.9 -98.4 -29.6 10.7 21.8 26.7 17 21 A K S < S- 0 0 28 -4,-3.6 3,-0.5 -5,-0.1 -1,-0.2 -0.659 81.3-171.1-135.1 76.2 9.2 24.1 24.1 18 22 A P + 0 0 79 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.390 66.0 9.1 -71.9 145.0 7.1 22.0 21.7 19 23 A D S S+ 0 0 175 1,-0.2 2,-0.4 -2,-0.1 -5,-0.0 0.935 94.2 134.7 51.6 54.9 5.7 23.5 18.5 20 24 A F - 0 0 31 -3,-0.5 -1,-0.2 2,-0.0 -3,-0.1 -0.979 32.9-177.4-137.6 122.8 7.6 26.7 18.8 21 25 A T - 0 0 98 -2,-0.4 83,-0.1 -3,-0.1 2,-0.1 -0.903 17.6-150.2-123.3 104.4 9.5 28.6 16.1 22 26 A P - 0 0 0 0, 0.0 53,-0.2 0, 0.0 3,-0.1 -0.365 11.8-167.3 -72.2 149.6 11.3 31.8 17.2 23 27 A R S S+ 0 0 63 51,-2.3 83,-3.4 1,-0.3 84,-1.1 0.778 74.8 38.3-102.2 -42.0 11.8 34.7 14.9 24 28 A V E -ab 75 107A 0 50,-1.3 52,-2.0 81,-0.2 2,-0.4 -0.925 67.4-157.2-115.6 137.9 14.4 36.8 16.8 25 29 A A E -ab 76 108A 0 82,-2.5 84,-3.2 -2,-0.4 2,-0.4 -0.919 14.2-158.4-111.2 140.3 17.2 35.4 18.8 26 30 A F E -ab 77 109A 1 50,-2.6 52,-3.6 -2,-0.4 2,-0.5 -0.924 14.2-158.2-123.1 146.5 18.7 37.5 21.6 27 31 A I E -ab 78 110A 0 82,-1.6 84,-1.5 -2,-0.4 2,-0.8 -0.945 12.8-163.1-120.0 107.7 22.0 37.5 23.5 28 32 A L E -a 79 0A 2 50,-3.3 52,-2.2 -2,-0.5 5,-0.2 -0.818 9.5-171.3 -98.0 111.0 21.8 39.2 26.8 29 33 A G > - 0 0 3 -2,-0.8 3,-1.0 1,-0.2 4,-0.4 0.527 50.5 -15.7 -69.3-140.4 25.2 40.1 28.2 30 34 A S T 3 S- 0 0 16 1,-0.3 -1,-0.2 2,-0.1 30,-0.1 -0.506 128.7 -17.5 -72.5 125.9 26.0 41.4 31.7 31 35 A G T 3 S+ 0 0 30 29,-0.4 -1,-0.3 -2,-0.3 -2,-0.1 0.794 109.4 103.6 49.8 33.7 23.0 42.7 33.8 32 36 A L X + 0 0 15 -3,-1.0 3,-1.2 28,-0.4 4,-0.2 0.458 49.1 90.7-117.2 -8.9 20.9 43.0 30.6 33 37 A G G > + 0 0 14 -4,-0.4 3,-1.1 1,-0.3 4,-0.5 0.553 53.5 98.0 -65.9 -8.6 18.9 39.9 31.2 34 38 A A G 3 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.628 78.2 64.5 -56.3 -9.4 16.3 41.9 33.1 35 39 A L G X S+ 0 0 4 -3,-1.2 3,-2.8 1,-0.2 -1,-0.3 0.904 86.9 64.2 -78.9 -45.4 14.5 41.8 29.7 36 40 A A G X S+ 0 0 7 -3,-1.1 3,-0.9 1,-0.3 -1,-0.2 0.607 88.7 74.0 -54.9 -11.3 14.0 38.0 29.7 37 41 A D G 3 S+ 0 0 124 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.2 0.679 91.9 53.8 -77.9 -16.5 11.8 38.6 32.7 38 42 A Q G < S+ 0 0 109 -3,-2.8 2,-0.4 -4,-0.1 -1,-0.2 0.149 77.0 125.9-103.3 17.9 9.0 40.0 30.5 39 43 A I X - 0 0 12 -3,-0.9 3,-1.0 31,-0.1 2,-0.2 -0.659 61.7-124.2 -80.8 127.0 8.9 37.1 28.1 40 44 A E E 3 S-C 69 0A 121 29,-3.4 29,-1.9 -2,-0.4 3,-0.2 -0.498 89.3 -0.6 -72.2 135.1 5.3 35.7 27.8 41 45 A N E 3 S- 0 0 117 -2,-0.2 2,-0.3 1,-0.2 -1,-0.3 0.929 94.7-165.7 51.1 46.3 4.9 32.0 28.5 42 46 A A E < - 0 0 52 -3,-1.0 2,-0.4 26,-0.1 26,-0.2 -0.475 14.1-166.7 -72.4 129.3 8.6 31.9 29.2 43 47 A V E -C 67 0A 41 24,-2.5 24,-2.7 -2,-0.3 2,-0.6 -0.952 9.3-149.4-112.7 130.1 10.3 28.5 29.4 44 48 A A E -C 66 0A 55 -2,-0.4 2,-0.5 22,-0.2 22,-0.2 -0.883 13.5-176.7-113.0 122.4 13.8 28.3 30.8 45 49 A I E -C 65 0A 1 20,-2.3 20,-2.8 -2,-0.6 2,-0.1 -0.931 24.8-130.9-112.6 122.4 16.5 25.7 29.7 46 50 A S E > -C 64 0A 37 -2,-0.5 3,-2.6 18,-0.2 4,-0.4 -0.434 17.7-124.7 -69.5 144.1 19.8 25.7 31.5 47 51 A Y G > S+ 0 0 3 16,-4.8 3,-1.5 1,-0.3 6,-0.3 0.792 109.7 73.0 -58.8 -25.3 22.9 25.7 29.3 48 52 A E G 3 S+ 0 0 124 15,-0.4 -1,-0.3 1,-0.3 16,-0.1 0.757 99.0 46.8 -60.5 -21.6 23.9 22.6 31.3 49 53 A K G < S+ 0 0 82 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.498 101.6 73.4 -96.6 -7.1 21.1 20.9 29.3 50 54 A L S X S- 0 0 2 -3,-1.5 3,-2.0 -4,-0.4 -1,-0.1 -0.860 81.3-135.0-114.2 100.2 22.1 22.2 25.9 51 55 A P T 3 S+ 0 0 12 0, 0.0 -42,-0.2 0, 0.0 -3,-0.1 -0.239 89.0 19.3 -54.1 131.5 25.3 20.7 24.5 52 56 A G T 3 S+ 0 0 27 1,-0.3 44,-0.3 -5,-0.1 43,-0.2 0.032 91.3 126.0 98.7 -27.4 27.6 23.3 23.0 53 57 A F S < S- 0 0 8 -3,-2.0 2,-1.7 -6,-0.3 -1,-0.3 -0.321 74.1 -98.7 -66.3 149.5 26.1 26.3 24.9 54 58 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.481 32.5-148.8 -69.6 81.5 28.5 28.4 27.0 55 59 A V - 0 0 70 -2,-1.7 8,-0.1 -8,-0.2 25,-0.0 -0.391 34.8-109.5 -54.2 116.5 28.1 27.2 30.5 56 60 A S + 0 0 30 -2,-0.2 -1,-0.1 6,-0.2 26,-0.1 -0.015 50.4 160.6 -55.5 153.5 28.7 30.4 32.4 57 61 A T + 0 0 82 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.122 61.5 82.2-149.3 -3.3 31.8 31.2 34.5 58 62 A V S > S- 0 0 10 23,-0.2 3,-1.1 3,-0.1 2,-0.2 -0.877 81.8-108.3-117.5 146.4 31.3 35.0 34.4 59 63 A H T 3 S+ 0 0 146 -2,-0.3 3,-0.1 1,-0.2 -29,-0.0 -0.470 102.9 34.6 -71.1 135.0 29.1 37.4 36.5 60 64 A G T 3 S+ 0 0 34 -2,-0.2 2,-0.4 1,-0.2 -28,-0.4 0.431 101.5 91.7 99.8 1.1 26.1 38.9 34.7 61 65 A H < - 0 0 12 -3,-1.1 19,-0.2 1,-0.1 -1,-0.2 -0.978 52.4-175.4-130.8 114.6 25.7 35.7 32.7 62 66 A A - 0 0 67 -2,-0.4 18,-0.2 2,-0.1 -6,-0.2 0.985 37.0-118.7 -74.9 -64.6 23.3 33.1 34.2 63 67 A G + 0 0 5 16,-1.7 -16,-4.8 1,-0.3 -15,-0.4 0.569 67.3 121.8 125.5 30.8 23.5 30.1 31.8 64 68 A E E -CD 46 79A 65 15,-1.3 15,-2.0 -18,-0.3 2,-0.5 -0.887 51.3-147.0-124.3 156.3 19.9 29.8 30.6 65 69 A L E -CD 45 78A 0 -20,-2.8 -20,-2.3 -2,-0.3 2,-0.5 -0.963 20.6-158.7-119.1 107.6 18.1 29.9 27.4 66 70 A V E -CD 44 77A 8 11,-3.0 11,-3.5 -2,-0.5 2,-0.5 -0.793 6.8-169.6 -95.9 126.3 14.6 31.5 27.6 67 71 A L E +CD 43 76A 0 -24,-2.7 -24,-2.5 -2,-0.5 2,-0.3 -0.935 34.9 82.4-116.7 133.0 12.0 30.7 25.0 68 72 A G E - D 0 75A 0 7,-2.4 7,-3.5 -2,-0.5 2,-0.3 -0.906 69.0 -47.9 177.2-149.4 8.7 32.5 24.7 69 73 A H E -CD 40 74A 61 -29,-1.9 -29,-3.4 -2,-0.3 2,-0.4 -0.912 30.7-178.7-122.1 146.6 6.9 35.6 23.3 70 74 A L E > S- D 0 73A 5 3,-1.9 3,-0.9 -2,-0.3 -31,-0.1 -0.947 83.2 -8.7-144.2 116.2 7.7 39.3 23.4 71 75 A Q T 3 S- 0 0 82 -2,-0.4 -1,-0.1 1,-0.3 202,-0.0 0.872 130.8 -58.3 61.3 37.0 5.3 41.8 21.7 72 76 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 201,-0.0 -3,-0.0 0.743 112.7 127.7 65.5 22.5 3.6 38.8 20.3 73 77 A V E < - D 0 70A 2 -3,-0.9 -3,-1.9 -50,-0.0 -1,-0.2 -0.953 65.2-120.9-115.3 125.0 6.8 37.7 18.7 74 78 A P E - D 0 69A 25 0, 0.0 -51,-2.3 0, 0.0 -50,-1.3 -0.395 44.0-177.4 -60.8 134.2 8.2 34.2 19.2 75 79 A V E -aD 24 68A 0 -7,-3.5 -7,-2.4 -53,-0.2 2,-0.6 -0.994 32.7-157.1-146.2 141.2 11.6 34.6 20.7 76 80 A V E -aD 25 67A 0 -52,-2.0 -50,-2.6 -2,-0.4 2,-0.5 -0.960 25.0-167.2-115.3 114.2 14.6 32.6 21.8 77 81 A C E -aD 26 66A 2 -11,-3.5 -11,-3.0 -2,-0.6 2,-0.8 -0.892 14.0-150.6-112.5 125.6 16.7 34.6 24.4 78 82 A M E -aD 27 65A 0 -52,-3.6 -50,-3.3 -2,-0.5 2,-1.3 -0.780 6.6-159.6 -93.0 104.0 20.2 33.7 25.6 79 83 A K E S+aD 28 64A 42 -15,-2.0 -16,-1.7 -2,-0.8 -15,-1.3 -0.702 72.3 7.1 -84.1 98.3 20.7 34.9 29.2 80 84 A G S S- 0 0 1 -52,-2.2 2,-0.2 -2,-1.3 -51,-0.2 0.185 73.5-140.9 104.8 137.5 24.5 35.0 29.3 81 85 A R - 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