==== 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 TRANSFERASE 06-FEB-06 2FXV . COMPND 2 MOLECULE: XANTHINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.ARENT,A.KADZIOLA,S.LARSEN,J.NEUHARD,K.F.JENSEN . 380 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16839.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 2 0.5 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 . 34 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.2 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 1 0 1 0 0 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 0 2 0 2 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 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 M > 0 0 35 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 126.5 3.9 33.8 0.2 2 2 A E H > + 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.853 360.0 57.3 -64.7 -31.5 5.3 36.5 -2.0 3 3 A A H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.897 110.6 41.5 -64.9 -41.3 7.5 37.5 1.0 4 4 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 112.8 53.8 -72.2 -43.2 8.9 34.0 1.3 5 5 A K H X S+ 0 0 37 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.933 110.6 47.0 -56.4 -48.6 9.3 33.6 -2.5 6 6 A R H X S+ 0 0 114 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.903 108.7 54.3 -62.0 -43.0 11.3 36.8 -2.7 7 7 A K H X>S+ 0 0 40 -4,-1.7 4,-2.7 1,-0.2 5,-0.7 0.929 111.3 46.7 -55.8 -45.8 13.5 35.9 0.3 8 8 A I H X5S+ 0 0 1 -4,-2.3 4,-1.6 3,-0.2 -2,-0.2 0.930 110.8 51.1 -62.2 -49.0 14.4 32.6 -1.5 9 9 A E H <5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.907 121.3 31.4 -57.7 -46.3 15.1 34.3 -4.9 10 10 A E H <5S+ 0 0 144 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.808 135.1 22.9 -86.8 -29.7 17.5 36.9 -3.5 11 11 A E H <5S+ 0 0 65 -4,-2.7 -3,-0.2 -5,-0.3 13,-0.2 0.714 93.7 100.9-109.7 -25.9 19.1 35.0 -0.5 12 12 A G << - 0 0 16 -4,-1.6 2,-0.5 -5,-0.7 10,-0.2 -0.259 59.3-146.7 -60.6 147.5 18.7 31.3 -1.3 13 13 A V E -A 21 0A 79 8,-3.2 8,-2.8 172,-0.0 2,-0.9 -0.958 8.7-137.2-122.9 114.7 21.8 29.5 -2.6 14 14 A V E -A 20 0A 30 -2,-0.5 6,-0.2 170,-0.3 3,-0.1 -0.578 21.3-179.0 -73.0 103.1 21.3 26.7 -5.1 15 15 A L - 0 0 109 4,-1.3 2,-0.3 -2,-0.9 -1,-0.2 0.905 66.8 -36.9 -67.5 -45.2 23.8 24.0 -4.0 16 16 A S S S- 0 0 52 3,-1.4 -1,-0.2 166,-0.0 3,-0.1 -0.840 77.1 -75.1-160.4-169.4 22.9 21.6 -6.8 17 17 A D S S+ 0 0 68 -2,-0.3 164,-0.3 1,-0.2 165,-0.2 0.445 131.4 44.9 -83.0 3.1 19.7 20.7 -8.6 18 18 A Q S S+ 0 0 77 1,-0.2 2,-0.4 163,-0.1 -1,-0.2 0.580 110.1 52.5-116.3 -17.8 18.6 18.6 -5.6 19 19 A V - 0 0 39 -3,-0.1 -3,-1.4 162,-0.1 -4,-1.3 -0.978 54.4-163.8-132.3 136.0 19.4 21.0 -2.7 20 20 A L E -A 14 0A 8 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.959 14.4-148.9-115.6 128.7 18.5 24.6 -1.8 21 21 A K E +A 13 0A 87 -8,-2.8 -8,-3.2 -2,-0.5 3,-0.1 -0.870 26.7 161.8-101.5 118.9 20.5 26.4 0.9 22 22 A V >>> + 0 0 0 -2,-0.6 4,-2.1 -10,-0.2 5,-1.4 -0.307 23.8 136.2-128.4 47.0 18.6 29.1 2.9 23 23 A D I 34> + 0 0 23 1,-0.2 6,-3.0 4,-0.2 5,-0.7 0.733 62.1 70.1 -66.6 -23.9 20.9 29.4 5.9 24 24 A S I 345S+ 0 0 27 -13,-0.2 -1,-0.2 4,-0.2 -12,-0.1 0.751 121.0 6.1 -68.7 -22.7 20.6 33.2 5.8 25 25 A F I <45S+ 0 0 0 -3,-1.0 6,-2.0 5,-0.1 -2,-0.2 0.532 136.9 18.1-139.3 -6.8 17.0 33.2 7.0 26 26 A L I <5S+ 0 0 2 -4,-2.1 -3,-0.2 4,-0.2 37,-0.2 0.658 116.7 39.7-131.8 -50.7 15.7 29.8 7.9 27 27 A N I - 0 0 44 -6,-2.0 4,-2.5 -2,-0.4 5,-0.2 -0.833 15.8-164.1 -95.9 98.8 14.6 36.0 10.2 32 32 A P H > S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.869 85.2 49.9 -50.5 -47.2 12.1 36.5 13.1 33 33 A L H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.927 111.6 47.8 -61.8 -46.2 9.7 38.7 11.2 34 34 A L H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 110.6 53.4 -60.5 -40.3 9.6 36.4 8.2 35 35 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.895 106.4 52.7 -61.6 -39.1 9.0 33.5 10.7 36 36 A Q H X S+ 0 0 60 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.911 110.1 47.4 -62.5 -43.2 6.0 35.5 12.1 37 37 A R H X S+ 0 0 125 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.922 111.6 51.2 -64.4 -41.7 4.5 35.9 8.7 38 38 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.932 111.0 47.9 -60.1 -46.2 5.1 32.2 8.0 39 39 A G H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.892 112.1 49.4 -62.4 -39.7 3.4 31.3 11.2 40 40 A D H X S+ 0 0 56 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.914 110.0 50.9 -66.4 -41.6 0.5 33.6 10.4 41 41 A E H X S+ 0 0 61 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.922 112.2 47.3 -62.0 -43.8 0.1 32.1 6.9 42 42 A F H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.942 111.4 50.6 -62.0 -48.3 0.0 28.6 8.4 43 43 A A H >< S+ 0 0 5 -4,-2.5 3,-0.5 1,-0.2 4,-0.4 0.909 107.5 54.1 -56.6 -44.5 -2.5 29.6 11.0 44 44 A S H >< S+ 0 0 85 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.915 107.5 50.4 -56.6 -45.3 -4.8 31.1 8.4 45 45 A R H 3< S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.745 123.6 29.8 -67.3 -24.2 -4.8 27.9 6.4 46 46 A F T X< S+ 0 0 1 -4,-1.3 3,-1.5 -3,-0.5 5,-0.5 0.113 83.2 120.8-121.5 21.1 -5.7 25.8 9.4 47 47 A A T < S+ 0 0 60 -3,-0.9 3,-0.4 -4,-0.4 4,-0.1 0.881 82.9 33.6 -51.4 -47.0 -7.7 28.4 11.4 48 48 A K T 3 S+ 0 0 204 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.116 90.8 95.1-101.5 22.2 -10.9 26.5 11.5 49 49 A D S < S- 0 0 56 -3,-1.5 -1,-0.2 70,-0.0 -2,-0.1 0.472 91.5-120.7 -90.6 -1.2 -9.5 22.9 11.7 50 50 A G - 0 0 54 -3,-0.4 69,-0.2 -4,-0.2 2,-0.1 0.888 41.6-174.9 65.2 40.1 -9.7 22.8 15.5 51 51 A I - 0 0 20 -5,-0.5 69,-0.2 1,-0.1 -1,-0.2 -0.439 16.8-178.7 -68.9 137.8 -6.0 22.2 15.9 52 52 A T + 0 0 54 67,-2.7 2,-0.3 1,-0.3 68,-0.2 0.526 65.0 8.5-113.6 -11.8 -5.0 21.5 19.5 53 53 A K E -h 120 0C 23 66,-1.1 68,-2.3 21,-0.2 2,-0.4 -0.980 59.6-135.6-166.8 152.2 -1.2 21.1 19.1 54 54 A I E -hi 121 76C 0 21,-2.1 23,-3.0 -2,-0.3 2,-0.4 -0.918 17.3-162.3-114.6 139.7 1.6 21.5 16.6 55 55 A V E +hi 122 77C 0 66,-2.1 68,-2.5 -2,-0.4 2,-0.2 -0.983 20.1 152.4-123.7 136.5 4.3 18.9 16.2 56 56 A T E - i 0 78C 0 21,-2.5 23,-3.5 -2,-0.4 2,-0.4 -0.726 37.1-108.4-142.4-169.7 7.7 19.6 14.5 57 57 A I E > - i 0 79C 8 66,-0.3 4,-1.2 21,-0.3 5,-0.3 -0.994 49.5 -67.7-132.9 140.1 11.2 18.3 14.6 58 58 A E T 4 S- 0 0 44 21,-2.5 2,-0.1 -2,-0.4 193,-0.0 -0.382 91.3 -3.4 -64.6 145.9 14.3 20.0 15.9 59 59 A S T >> S+ 0 0 15 191,-0.1 3,-1.0 -2,-0.0 4,-0.5 -0.929 121.1 31.9-122.0 -20.0 15.7 22.3 15.0 60 60 A S T 34 S+ 0 0 19 1,-0.2 3,-0.2 2,-0.2 -2,-0.1 0.756 115.4 58.7 -66.2 -25.6 14.8 24.2 11.8 61 61 A G T 3X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.718 88.7 78.4 -76.8 -18.5 11.1 23.4 12.2 62 62 A I H <> S+ 0 0 0 -3,-1.0 4,-3.1 -5,-0.3 5,-0.2 0.919 90.8 46.1 -57.2 -54.1 11.0 25.1 15.7 63 63 A A H X S+ 0 0 2 -4,-0.5 4,-2.2 2,-0.2 5,-0.2 0.951 116.2 44.6 -58.1 -52.0 10.8 28.8 14.7 64 64 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.935 117.4 46.9 -56.9 -45.9 8.1 28.3 12.0 65 65 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.888 109.8 51.4 -63.9 -43.9 6.1 26.0 14.3 66 66 A V H X S+ 0 0 4 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.928 110.1 49.1 -62.1 -45.1 6.3 28.3 17.4 67 67 A M H X S+ 0 0 3 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.880 112.1 49.8 -62.1 -37.2 5.1 31.3 15.4 68 68 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 5,-0.2 0.937 112.0 46.9 -65.2 -47.2 2.2 29.2 14.1 69 69 A G H X>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 4,-1.4 0.811 108.4 56.6 -64.6 -30.8 1.3 28.0 17.6 70 70 A L H <5S+ 0 0 35 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.928 111.4 42.8 -66.0 -43.5 1.6 31.6 18.9 71 71 A K H <5S+ 0 0 134 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 119.7 41.5 -69.1 -44.2 -1.0 32.7 16.3 72 72 A L H <5S- 0 0 46 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.621 107.3-124.6 -79.0 -14.7 -3.3 29.7 16.8 73 73 A G T <5 + 0 0 66 -4,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.889 67.6 121.4 73.4 39.2 -2.9 29.7 20.6 74 74 A V < - 0 0 16 -5,-1.9 -1,-0.3 -6,-0.1 -21,-0.2 -0.922 64.6 -98.2-131.9 158.2 -1.7 26.1 20.9 75 75 A P - 0 0 44 0, 0.0 -21,-2.1 0, 0.0 2,-0.4 -0.276 30.1-138.4 -71.2 160.9 1.4 24.4 22.3 76 76 A V E -iJ 54 221C 0 145,-2.4 145,-4.1 -23,-0.2 2,-0.5 -0.989 13.3-167.0-125.1 127.0 4.3 23.3 20.1 77 77 A V E -iJ 55 220C 0 -23,-3.0 -21,-2.5 -2,-0.4 2,-0.5 -0.952 6.5-158.2-114.1 126.7 6.1 20.0 20.6 78 78 A F E -i 56 0C 0 141,-2.5 -21,-0.3 -2,-0.5 2,-0.1 -0.915 16.7-127.6-111.5 128.4 9.3 19.3 18.7 79 79 A A E -i 57 0C 0 -23,-3.5 -21,-2.5 -2,-0.5 2,-0.3 -0.424 27.8-148.4 -66.6 142.6 10.6 15.8 18.1 80 80 A R E -N 108 0D 71 28,-2.6 28,-1.9 -23,-0.2 2,-0.2 -0.834 20.6 -97.5-117.5 153.8 14.1 15.2 19.3 81 81 A K E +N 107 0D 103 -2,-0.3 2,-0.3 26,-0.2 26,-0.3 -0.465 50.6 175.0 -67.8 135.4 17.0 13.0 18.0 82 82 A H E +N 106 0D 53 24,-4.1 24,-1.0 -2,-0.2 -1,-0.0 -0.958 33.6 131.6-143.7 159.2 17.2 9.7 20.0 83 83 A K + 0 0 192 -2,-0.3 -1,-0.1 22,-0.1 24,-0.1 0.187 38.9 150.2-179.0 -15.0 19.1 6.4 20.0 84 84 A S - 0 0 90 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.172 53.1-111.5 -41.4 149.7 20.2 6.1 23.7 85 85 A L S S+ 0 0 172 2,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.237 76.6 81.7 -68.0 4.4 20.6 2.9 25.6 86 86 A T S S- 0 0 108 1,-0.0 2,-0.9 2,-0.0 -3,-0.0 -0.586 81.7 -84.4-120.8-179.8 17.8 2.8 28.1 87 87 A L - 0 0 166 -2,-0.2 2,-1.0 1,-0.1 -2,-0.1 -0.646 36.1-172.9 -78.9 102.4 14.2 2.1 29.0 88 88 A T - 0 0 68 -2,-0.9 3,-0.3 3,-0.1 2,-0.1 -0.777 17.9-145.4-100.6 90.5 12.1 5.1 28.1 89 89 A D S S+ 0 0 147 -2,-1.0 22,-0.2 1,-0.2 -2,-0.0 -0.351 79.2 2.6 -57.3 123.6 8.6 4.3 29.4 90 90 A N S S+ 0 0 107 1,-0.2 21,-1.9 -2,-0.1 22,-0.4 0.997 87.1 153.4 60.4 73.1 6.0 5.8 27.1 91 91 A L E -O 110 0D 39 -3,-0.3 2,-0.5 19,-0.2 19,-0.2 -0.967 36.4-143.7-135.8 117.5 8.2 7.3 24.4 92 92 A L E +O 109 0D 14 17,-2.7 17,-2.5 -2,-0.4 2,-0.3 -0.693 31.2 175.5 -82.6 124.6 6.9 7.7 20.8 93 93 A T E +O 108 0D 36 -2,-0.5 2,-0.3 15,-0.2 15,-0.2 -0.854 17.7 177.8-131.3 166.1 9.6 7.0 18.2 94 94 A A E -O 107 0D 11 13,-1.8 13,-2.9 -2,-0.3 2,-0.5 -0.976 29.6-116.2-161.5 151.4 10.3 6.7 14.5 95 95 A S E -O 106 0D 66 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.820 31.2-172.4 -96.7 129.3 13.2 6.1 12.1 96 96 A V E -O 105 0D 9 9,-3.2 9,-2.6 -2,-0.5 2,-0.7 -0.981 16.8-148.5-126.8 130.1 14.1 9.0 9.8 97 97 A Y E -O 104 0D 94 -2,-0.4 7,-0.2 7,-0.2 34,-0.2 -0.857 27.0-127.3 -96.7 113.2 16.6 8.9 6.9 98 98 A S > - 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