==== 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 PHOSPHORIBOSYLTRANSFERASE 16-APR-98 1A98 . COMPND 2 MOLECULE: XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.VOS,R.J.PARRY,M.R.BURNS,J.DE JERSEY,J.L.MARTIN . 256 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 24 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 0 5 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 3 A E 0 0 149 0, 0.0 112,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.8 41.1 8.3 11.4 2 4 A K - 0 0 49 110,-0.1 2,-1.1 112,-0.0 112,-0.2 -0.755 360.0-112.4-102.1 149.1 37.6 9.8 11.3 3 5 A Y E -a 114 0A 89 110,-2.0 112,-2.6 -2,-0.3 2,-0.3 -0.713 34.9-153.6 -83.5 99.1 36.7 13.5 11.2 4 6 A I E -a 115 0A 90 -2,-1.1 2,-0.5 110,-0.2 112,-0.1 -0.605 9.3-166.6 -75.6 131.6 35.2 14.1 14.6 5 7 A V - 0 0 2 110,-2.2 2,-0.2 -2,-0.3 -2,-0.0 -0.976 2.6-162.5-124.1 116.6 32.8 17.1 14.7 6 8 A T > - 0 0 67 -2,-0.5 4,-2.5 110,-0.1 3,-0.3 -0.656 33.6-108.4 -95.6 158.3 31.6 18.5 18.0 7 9 A W H > S+ 0 0 11 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.878 118.7 53.5 -48.7 -46.9 28.6 20.7 18.6 8 10 A D H > S+ 0 0 71 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.919 111.2 44.3 -55.8 -49.3 30.8 23.7 19.3 9 11 A M H > S+ 0 0 97 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.883 110.8 53.5 -65.6 -41.5 32.7 23.3 16.0 10 12 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.929 108.1 51.7 -59.0 -43.8 29.6 22.7 14.0 11 13 A Q H X S+ 0 0 6 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.854 107.3 52.7 -60.9 -38.3 28.2 25.9 15.3 12 14 A I H X S+ 0 0 91 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.938 111.3 46.5 -63.7 -44.6 31.3 27.8 14.3 13 15 A H H X S+ 0 0 22 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.944 112.1 50.6 -62.0 -49.1 31.0 26.4 10.8 14 16 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.902 110.9 48.1 -56.4 -46.3 27.3 27.3 10.7 15 17 A R H X S+ 0 0 63 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.902 110.1 52.5 -63.3 -39.4 27.9 30.9 11.8 16 18 A K H X S+ 0 0 116 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.920 110.7 47.7 -62.3 -42.5 30.7 31.2 9.3 17 19 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 3,-0.3 0.911 108.1 55.7 -64.5 -41.8 28.3 30.1 6.5 18 20 A A H < S+ 0 0 5 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.909 102.0 57.1 -57.0 -43.3 25.7 32.5 7.8 19 21 A S H >< S+ 0 0 87 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.883 106.5 48.7 -55.9 -41.5 28.1 35.4 7.4 20 22 A R H 3< S+ 0 0 124 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.785 104.4 60.9 -69.7 -27.1 28.5 34.5 3.7 21 23 A L T 3< S+ 0 0 3 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.255 92.9 161.3 -84.6 13.2 24.7 34.4 3.4 22 24 A M < + 0 0 90 -3,-1.2 2,-0.1 2,-0.1 26,-0.0 -0.502 39.4 47.5 -87.8 157.3 24.4 38.1 4.4 23 25 A P > - 0 0 83 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.669 66.8-158.3 -70.5 164.4 22.5 40.2 4.3 24 26 A S G > S+ 0 0 28 1,-0.2 3,-2.0 2,-0.1 -2,-0.1 0.774 77.9 85.5 -79.6 -24.7 19.5 38.2 5.5 25 27 A E G 3 S+ 0 0 177 1,-0.3 -1,-0.2 3,-0.0 -3,-0.1 0.651 85.1 58.3 -50.9 -21.2 17.0 40.6 3.9 26 28 A Q G < S+ 0 0 112 -3,-0.7 2,-0.4 2,-0.0 -1,-0.3 0.724 86.8 87.2 -85.1 -24.0 17.3 38.7 0.6 27 29 A W < - 0 0 39 -3,-2.0 38,-0.2 -4,-0.2 3,-0.1 -0.637 52.3-167.7 -85.6 133.8 16.3 35.2 1.8 28 30 A K - 0 0 71 36,-2.3 2,-0.3 -2,-0.4 37,-0.2 0.588 66.9 -40.3 -90.3 -16.0 12.6 34.2 1.8 29 31 A G E -b 65 0B 3 35,-1.0 37,-2.2 21,-0.0 2,-0.4 -0.938 53.9 -98.6 168.5 172.1 13.2 31.1 3.9 30 32 A I E -bc 66 53B 0 22,-0.9 24,-3.2 -2,-0.3 2,-0.6 -0.960 18.0-162.3-121.3 134.5 15.3 28.0 4.7 31 33 A I E -bc 67 54B 9 35,-3.6 37,-1.8 -2,-0.4 2,-0.5 -0.916 12.7-161.5-116.7 99.0 14.6 24.5 3.5 32 34 A A E -bc 68 55B 0 22,-3.0 24,-1.4 -2,-0.6 2,-0.5 -0.724 14.2-135.5 -84.8 125.4 16.5 22.0 5.6 33 35 A V E > - c 0 56B 13 35,-2.6 4,-1.5 -2,-0.5 5,-0.5 -0.711 45.5 -79.6 -82.0 121.8 16.9 18.5 4.1 34 36 A S T 4 S- 0 0 25 22,-1.8 24,-0.2 -2,-0.5 2,-0.1 -0.323 90.1 -2.9 -63.0 147.5 16.2 15.8 6.6 35 37 A R T 4 S+ 0 0 83 22,-0.1 4,-0.5 34,-0.0 3,-0.5 -0.923 129.5 24.8-112.6 -18.0 17.7 14.7 8.7 36 38 A G T >4 S+ 0 0 13 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.839 116.5 58.9 -73.1 -33.9 21.2 16.0 9.1 37 39 A G T 3X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.722 88.6 77.6 -69.2 -18.6 20.6 19.3 7.4 38 40 A L H 3> S+ 0 0 0 -3,-0.5 4,-2.2 -5,-0.5 -1,-0.2 0.907 91.6 49.1 -58.1 -46.8 17.9 20.2 10.0 39 41 A V H <> S+ 0 0 2 -3,-0.5 4,-2.0 -4,-0.5 -1,-0.2 0.959 114.7 42.9 -62.0 -51.6 20.4 21.1 12.8 40 42 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.862 112.4 56.3 -63.8 -30.0 22.5 23.4 10.6 41 43 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.893 105.6 50.3 -65.3 -38.9 19.3 24.8 9.2 42 44 A A H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.891 111.3 48.8 -65.4 -40.1 18.1 25.7 12.6 43 45 A L H X S+ 0 0 5 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.906 112.3 48.0 -66.7 -42.3 21.4 27.4 13.4 44 46 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 6,-0.3 0.951 109.1 53.0 -62.6 -49.1 21.3 29.4 10.1 45 47 A A H X>S+ 0 0 0 -4,-2.8 5,-1.7 1,-0.2 4,-1.2 0.901 111.6 47.6 -52.3 -43.3 17.7 30.4 10.7 46 48 A R H <5S+ 0 0 72 -4,-1.9 3,-0.4 3,-0.2 -1,-0.2 0.948 115.0 43.5 -64.4 -51.2 18.8 31.8 14.1 47 49 A E H <5S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.853 119.4 43.0 -64.3 -36.5 21.8 33.6 12.8 48 50 A L H <5S- 0 0 8 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.577 110.9-117.7 -86.2 -12.4 19.9 35.0 9.8 49 51 A G T <5 + 0 0 55 -4,-1.2 2,-0.6 -3,-0.4 -3,-0.2 0.622 58.9 154.9 84.5 12.9 16.8 35.9 11.7 50 52 A I < - 0 0 21 -5,-1.7 -1,-0.3 -6,-0.3 -2,-0.1 -0.671 31.6-158.7 -78.5 115.6 14.6 33.5 9.7 51 53 A R + 0 0 74 -2,-0.6 2,-0.4 -3,-0.1 -1,-0.1 0.634 69.6 44.2 -73.2 -16.2 11.7 32.6 12.0 52 54 A H - 0 0 50 -7,-0.1 -22,-0.9 114,-0.1 2,-0.5 -0.982 58.5-162.2-140.2 133.2 10.8 29.3 10.2 53 55 A V E -c 30 0B 0 -2,-0.4 2,-0.3 135,-0.2 -22,-0.2 -0.933 15.4-153.4-110.3 126.8 12.7 26.4 8.8 54 56 A D E -c 31 0B 64 -24,-3.2 -22,-3.0 -2,-0.5 2,-0.4 -0.778 8.9-148.0 -97.9 149.1 10.9 24.1 6.3 55 57 A T E -c 32 0B 24 -2,-0.3 2,-0.4 -24,-0.2 -22,-0.2 -0.914 10.9-169.9-120.5 147.7 11.9 20.4 5.9 56 58 A V E -c 33 0B 34 -24,-1.4 -22,-1.8 -2,-0.4 2,-1.1 -0.985 22.4-134.0-136.2 141.1 11.8 18.2 2.8 57 59 A A 0 0 74 -2,-0.4 -24,-0.1 1,-0.2 127,-0.1 -0.744 360.0 360.0 -97.0 86.9 12.3 14.4 2.6 58 60 A I 0 0 91 -2,-1.1 -1,-0.2 -24,-0.2 21,-0.1 0.247 360.0 360.0-170.0 360.0 14.7 14.0 -0.4 59 ! 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 60 79 A G 0 0 117 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.1 7.9 27.3 -5.0 61 80 A D - 0 0 68 2,-0.1 24,-1.5 22,-0.1 25,-0.3 0.710 360.0-103.3 -92.3 -29.5 10.6 27.2 -7.7 62 81 A G > + 0 0 2 1,-0.3 3,-2.7 23,-0.2 25,-0.4 0.029 68.1 144.1 132.1 -29.7 13.4 28.0 -5.2 63 82 A E T 3 S+ 0 0 70 1,-0.3 -1,-0.3 23,-0.2 23,-0.2 -0.168 79.4 9.2 -47.1 121.5 14.3 31.7 -5.7 64 83 A G T 3 S+ 0 0 26 21,-0.5 -36,-2.3 1,-0.3 -35,-1.0 0.249 103.9 115.1 91.2 -12.7 15.2 33.3 -2.4 65 84 A F E < -b 29 0B 58 -3,-2.7 22,-2.7 -37,-0.2 2,-0.6 -0.653 58.0-139.9 -95.7 149.4 15.3 30.0 -0.5 66 85 A I E -bd 30 87B 0 -37,-2.2 -35,-3.6 -2,-0.3 2,-0.7 -0.932 12.2-162.4-107.6 115.6 18.3 28.4 1.2 67 86 A V E -bd 31 88B 4 20,-1.5 22,-2.8 -2,-0.6 2,-0.4 -0.894 18.7-174.7 -98.9 115.8 18.4 24.6 0.8 68 87 A I E +bd 32 89B 0 -37,-1.8 -35,-2.6 -2,-0.7 2,-0.3 -0.920 16.4 168.8-121.6 141.5 20.8 23.2 3.4 69 88 A D E - d 0 90B 36 20,-1.4 22,-0.8 -2,-0.4 23,-0.1 -0.920 37.7-120.9-137.1 159.7 22.2 19.7 4.1 70 89 A D S S+ 0 0 29 -2,-0.3 22,-2.5 -37,-0.2 21,-0.8 0.934 87.5 4.7 -71.0 -46.7 25.1 18.6 6.5 71 90 A L - 0 0 31 20,-0.2 2,-0.4 19,-0.1 22,-0.2 -0.921 60.5-152.5-139.5 159.5 27.4 16.9 4.0 72 91 A V 0 0 8 -2,-0.3 22,-2.4 20,-0.2 25,-0.3 -0.999 360.0 360.0-139.3 134.6 27.6 16.4 0.2 73 92 A D 0 0 96 -2,-0.4 3,-0.4 24,-0.2 37,-0.0 -0.666 360.0 360.0-167.1 360.0 29.3 13.6 -1.8 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 96 A T >> 0 0 138 0, 0.0 3,-2.2 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 145.4 22.6 12.7 -4.7 76 97 A A H 3> + 0 0 15 -3,-0.4 4,-2.7 1,-0.3 5,-0.2 0.686 360.0 81.6 -57.0 -18.7 22.4 16.5 -4.6 77 98 A V H 3> S+ 0 0 62 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.819 89.8 51.2 -56.6 -33.4 21.1 16.1 -8.2 78 99 A A H <> S+ 0 0 52 -3,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.891 109.2 49.5 -72.3 -40.2 17.7 15.4 -6.8 79 100 A I H X S+ 0 0 18 -4,-0.6 4,-2.5 1,-0.2 -2,-0.2 0.924 110.8 49.4 -64.3 -45.0 17.8 18.5 -4.6 80 101 A R H < S+ 0 0 55 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 111.9 50.2 -62.7 -34.5 18.8 20.7 -7.6 81 102 A E H < S+ 0 0 75 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.858 112.1 46.0 -72.1 -38.1 16.0 19.2 -9.6 82 103 A M H < S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.843 129.4 24.3 -73.0 -35.7 13.4 19.8 -6.9 83 104 A Y >< + 0 0 59 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.3 -0.723 67.5 167.4-134.7 85.2 14.6 23.4 -6.3 84 105 A P T 3 S+ 0 0 102 0, 0.0 -22,-0.2 0, 0.0 -1,-0.1 0.831 80.8 41.8 -65.4 -39.8 16.4 24.8 -9.4 85 106 A K T 3 S+ 0 0 55 -24,-1.5 -21,-0.5 2,-0.1 -23,-0.2 0.206 93.9 109.4 -96.5 15.1 16.5 28.5 -8.3 86 107 A A S < S- 0 0 12 -3,-0.9 2,-1.1 -25,-0.3 -20,-0.2 -0.583 75.0-115.6 -92.4 154.7 17.4 27.8 -4.7 87 108 A H E -d 66 0B 53 -22,-2.7 -20,-1.5 -25,-0.4 2,-0.5 -0.764 32.7-156.7 -91.3 95.7 20.8 28.5 -3.0 88 109 A F E +d 67 0B 16 -2,-1.1 14,-2.3 -22,-0.2 15,-0.9 -0.656 22.8 164.7 -77.5 119.0 22.1 25.0 -2.2 89 110 A V E -de 68 103B 0 -22,-2.8 -20,-1.4 -2,-0.5 2,-0.3 -0.909 14.1-176.6-133.6 160.6 24.6 25.1 0.7 90 111 A T E -d 69 0B 0 13,-1.7 -20,-0.2 -2,-0.3 15,-0.2 -0.924 30.8-128.6-148.6 168.6 26.2 22.7 3.1 91 112 A I S S+ 0 0 0 -22,-0.8 15,-2.8 -21,-0.8 14,-2.0 0.925 93.8 22.9 -85.0 -57.8 28.6 22.6 6.1 92 113 A F E -f 106 0C 0 -22,-2.5 2,-0.3 13,-0.2 -20,-0.2 -0.661 67.9-174.0-107.1 163.6 31.0 19.9 4.8 93 114 A A E -f 107 0C 0 13,-1.5 15,-2.6 -2,-0.2 -20,-0.2 -0.942 13.4-146.7-162.1 134.1 31.7 18.7 1.3 94 115 A K > - 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