==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-AUG-12 4GJ1 . COMPND 2 MOLECULE: 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI SUBSP. JEJUNI; . AUTHOR B.NOCEK,M.GU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CSGID,CENTER F . 229 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11138.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 6.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 23 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 1 1 0 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 2 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 . 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 1 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 T 0 0 51 0, 0.0 2,-0.4 0, 0.0 207,-0.2 0.000 360.0 360.0 360.0 132.8 11.7 -8.5 23.2 2 3 A Q E -a 208 0A 95 205,-1.9 207,-1.9 228,-0.0 2,-0.2 -0.934 360.0-120.1-121.5 145.0 10.9 -5.1 24.6 3 4 A I E -a 209 0A 5 -2,-0.4 43,-0.4 205,-0.2 42,-0.4 -0.571 20.6-160.5 -76.9 143.1 7.7 -3.5 25.8 4 5 A I E -a 210 0A 6 205,-2.6 207,-1.8 -2,-0.2 43,-0.2 -0.827 10.7-148.0-127.8 90.6 6.5 -0.4 23.9 5 6 A P E -a 211 0A 0 0, 0.0 43,-2.6 0, 0.0 2,-0.4 -0.307 20.8-157.1 -58.3 143.0 4.1 1.6 26.0 6 7 A A E -b 48 0A 2 205,-2.0 2,-0.4 41,-0.2 43,-0.2 -0.960 18.0-168.5-131.4 143.0 1.5 3.4 23.8 7 8 A L E -b 49 0A 0 41,-2.2 43,-2.3 -2,-0.4 2,-0.5 -0.998 10.8-152.5-128.5 132.1 -0.8 6.4 24.0 8 9 A D E -bC 50 15A 23 7,-0.7 7,-2.5 -2,-0.4 2,-0.4 -0.885 20.3-157.3-100.0 131.1 -3.6 7.3 21.5 9 10 A L E +bC 51 14A 2 41,-2.9 43,-1.7 -2,-0.5 44,-0.9 -0.911 21.5 176.9-120.6 134.7 -4.3 11.0 21.3 10 11 A I E > S- C 0 13A 32 3,-2.3 3,-1.7 -2,-0.4 41,-0.0 -0.961 82.1 -21.9-130.3 113.8 -7.3 13.0 20.2 11 12 A D T 3 S- 0 0 124 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.903 127.7 -49.1 56.7 46.4 -7.1 16.8 20.6 12 13 A G T 3 S+ 0 0 31 1,-0.2 2,-0.4 19,-0.0 -1,-0.3 0.430 115.1 118.3 76.9 -0.0 -4.4 16.6 23.3 13 14 A E E < -C 10 0A 100 -3,-1.7 -3,-2.3 18,-0.1 2,-0.5 -0.824 66.9-125.3-106.0 137.4 -6.3 14.0 25.3 14 15 A V E +C 9 0A 0 16,-0.8 14,-2.9 -2,-0.4 2,-0.3 -0.681 48.2 155.5 -74.5 120.9 -5.3 10.4 26.1 15 16 A V E -CD 8 27A 0 -7,-2.5 -7,-0.7 -2,-0.5 2,-0.4 -0.836 32.9-139.5-132.6 172.5 -8.1 8.2 24.9 16 17 A R E - D 0 26A 35 10,-2.2 10,-2.3 -2,-0.3 2,-0.8 -0.972 7.9-143.6-140.7 136.4 -8.6 4.7 23.8 17 18 A L E - D 0 25A 51 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.834 15.7-158.9 -90.4 109.7 -10.7 3.3 21.0 18 19 A V E - D 0 24A 60 6,-2.9 6,-2.2 -2,-0.8 2,-0.2 -0.712 18.8-162.6 -82.4 140.7 -12.3 -0.0 22.0 19 20 A K + 0 0 85 -2,-0.3 2,-0.4 4,-0.2 4,-0.1 -0.703 39.1 90.1-126.4 176.3 -13.3 -2.0 19.0 20 21 A G S S- 0 0 68 -2,-0.2 3,-0.1 1,-0.1 147,-0.0 -0.979 102.8 -10.1 139.2-125.9 -15.4 -4.9 18.0 21 22 A D S S+ 0 0 152 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.854 138.9 29.6 -77.3 -33.7 -19.0 -4.4 16.9 22 23 A Y S S- 0 0 168 -3,-0.1 2,-0.6 2,-0.0 -1,-0.2 -0.986 78.8-131.5-132.0 125.6 -19.1 -0.8 18.0 23 24 A E - 0 0 130 -2,-0.4 2,-0.4 -3,-0.1 -4,-0.2 -0.637 34.9-173.6 -73.2 116.3 -16.2 1.6 18.1 24 25 A Q E -D 18 0A 110 -6,-2.2 -6,-2.9 -2,-0.6 2,-0.5 -0.947 15.1-142.2-123.3 138.1 -16.4 3.2 21.5 25 26 A K E -D 17 0A 115 -2,-0.4 2,-0.5 -8,-0.2 -8,-0.2 -0.844 12.1-172.0-106.5 124.0 -14.3 6.0 22.9 26 27 A K E -D 16 0A 42 -10,-2.3 -10,-2.2 -2,-0.5 2,-0.5 -0.973 12.9-151.5-114.4 123.2 -13.0 6.2 26.5 27 28 A V E -D 15 0A 75 -2,-0.5 -12,-0.2 -12,-0.2 2,-0.2 -0.820 10.4-154.1 -98.2 126.9 -11.3 9.4 27.5 28 29 A Y - 0 0 43 -14,-2.9 -14,-0.3 -2,-0.5 188,-0.0 -0.544 18.7-130.2 -96.3 165.6 -8.7 9.3 30.3 29 30 A K + 0 0 186 -2,-0.2 -1,-0.1 -16,-0.1 -14,-0.1 0.684 67.7 116.0 -84.2 -21.8 -7.6 12.0 32.7 30 31 A Y - 0 0 72 1,-0.1 -16,-0.8 -16,-0.1 -2,-0.1 -0.103 66.5-126.9 -61.4 143.3 -3.8 11.6 32.1 31 32 A N > - 0 0 79 1,-0.1 4,-2.7 -18,-0.1 5,-0.3 -0.823 21.9-135.6 -82.5 122.3 -1.7 14.4 30.6 32 33 A P H > S+ 0 0 5 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.865 102.0 48.1 -47.6 -48.8 0.1 12.8 27.6 33 34 A L H > S+ 0 0 33 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.933 113.8 46.3 -60.6 -47.7 3.5 14.4 28.5 34 35 A K H > S+ 0 0 155 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 112.0 50.9 -63.2 -40.8 3.3 13.3 32.2 35 36 A K H X S+ 0 0 12 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.919 110.5 49.0 -64.6 -43.2 2.2 9.8 31.4 36 37 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.899 109.9 50.4 -63.9 -41.8 5.1 9.3 28.9 37 38 A K H X S+ 0 0 75 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.871 109.6 53.1 -62.9 -36.0 7.7 10.6 31.4 38 39 A E H X S+ 0 0 103 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.928 108.8 47.7 -64.2 -45.9 6.2 8.2 33.9 39 40 A Y H X>S+ 0 0 5 -4,-2.2 5,-2.4 1,-0.2 4,-0.5 0.910 113.4 49.4 -59.2 -42.1 6.7 5.3 31.5 40 41 A E H ><5S+ 0 0 32 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.908 109.3 50.2 -63.7 -44.5 10.2 6.5 30.9 41 42 A K H 3<5S+ 0 0 190 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.792 105.9 58.1 -65.7 -27.3 11.0 6.7 34.6 42 43 A A H 3<5S- 0 0 19 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.620 132.2 -91.7 -77.1 -14.7 9.6 3.2 34.9 43 44 A G T <<5S+ 0 0 25 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.406 70.3 153.7 121.4 0.6 12.2 2.0 32.4 44 45 A A < - 0 0 1 -5,-2.4 -1,-0.3 1,-0.2 3,-0.1 -0.377 17.9-178.5 -61.7 134.8 10.6 2.2 29.0 45 46 A K + 0 0 125 -42,-0.4 31,-1.5 1,-0.2 2,-0.4 0.487 69.8 45.0-109.8 -10.8 13.1 2.7 26.2 46 47 A E E - e 0 76A 28 -43,-0.4 2,-0.4 29,-0.2 -1,-0.2 -1.000 65.7-169.5-135.0 136.0 10.6 2.8 23.3 47 48 A L E - e 0 77A 0 29,-2.3 31,-3.2 -2,-0.4 2,-0.4 -0.985 7.9-152.9-129.0 140.1 7.3 4.8 23.2 48 49 A H E -be 6 78A 12 -43,-2.6 -41,-2.2 -2,-0.4 2,-0.4 -0.924 10.4-172.4-114.6 132.9 4.5 4.6 20.6 49 50 A L E -be 7 79A 1 29,-2.7 31,-2.8 -2,-0.4 2,-0.6 -0.985 6.8-163.0-128.5 125.1 2.2 7.5 19.9 50 51 A V E -be 8 80A 27 -43,-2.3 -41,-2.9 -2,-0.4 2,-1.2 -0.937 7.9-155.2-109.9 118.0 -0.9 7.4 17.7 51 52 A D E > +b 9 0A 0 29,-2.7 4,-1.7 -2,-0.6 -41,-0.1 -0.752 18.1 173.6 -90.6 93.8 -2.3 10.8 16.5 52 53 A L H > S+ 0 0 28 -43,-1.7 4,-0.9 -2,-1.2 -42,-0.2 0.750 76.6 58.4 -74.0 -25.8 -5.9 9.9 15.8 53 54 A T H > S+ 0 0 22 -44,-0.9 4,-1.6 2,-0.2 3,-0.3 0.915 111.5 40.9 -67.5 -44.3 -6.8 13.5 15.1 54 55 A G H 4 S+ 0 0 1 1,-0.2 -2,-0.2 2,-0.2 7,-0.2 0.815 109.8 59.7 -71.0 -32.0 -4.3 13.6 12.3 55 56 A A H < S+ 0 0 47 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.753 108.3 45.5 -67.9 -23.8 -5.4 10.1 11.2 56 57 A K H < S+ 0 0 166 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.823 136.3 4.0 -88.7 -37.0 -8.9 11.4 10.7 57 58 A D >< - 0 0 82 -4,-1.6 3,-2.2 -5,-0.1 -1,-0.3 -0.792 63.0-152.0-154.3 109.1 -7.8 14.5 8.8 58 59 A P G > S+ 0 0 80 0, 0.0 3,-1.1 0, 0.0 -4,-0.1 0.633 91.7 68.6 -56.8 -17.9 -4.1 15.2 7.9 59 60 A S G 3 S+ 0 0 83 1,-0.3 -5,-0.1 -5,-0.1 0, 0.0 0.778 101.1 47.7 -74.7 -21.0 -4.6 19.0 8.0 60 61 A K G < S+ 0 0 144 -3,-2.2 -1,-0.3 -7,-0.3 -5,-0.1 -0.046 77.2 152.9-111.7 30.4 -5.1 18.9 11.7 61 62 A R < - 0 0 15 -3,-1.1 2,-2.1 -7,-0.2 3,-0.3 -0.348 53.7-117.9 -61.7 140.0 -2.2 16.7 12.7 62 63 A Q > + 0 0 26 1,-0.2 4,-2.2 -53,-0.1 5,-0.2 -0.369 55.7 150.5 -83.3 63.2 -1.0 17.5 16.2 63 64 A F H > + 0 0 73 -2,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.892 66.2 55.1 -62.3 -43.7 2.5 18.7 15.3 64 65 A A H > S+ 0 0 78 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.916 112.7 41.1 -60.2 -46.5 3.0 21.0 18.2 65 66 A L H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.913 115.4 51.0 -68.5 -42.0 2.3 18.4 20.9 66 67 A I H X S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.936 109.5 51.4 -60.3 -46.6 4.3 15.8 19.0 67 68 A E H X S+ 0 0 84 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.929 112.0 45.8 -54.2 -51.1 7.2 18.1 18.8 68 69 A K H X S+ 0 0 104 -4,-2.0 4,-1.2 1,-0.2 3,-0.3 0.923 112.7 50.2 -62.1 -45.0 7.1 18.9 22.5 69 70 A L H >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-0.6 0.921 108.1 54.6 -57.7 -44.0 6.8 15.2 23.4 70 71 A A H 3< S+ 0 0 14 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.2 42.9 -60.9 -35.8 9.8 14.4 21.2 71 72 A K H 3< S+ 0 0 139 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.561 116.3 44.3 -96.2 -9.1 12.2 16.8 22.8 72 73 A E H << S+ 0 0 89 -4,-1.2 2,-0.2 -3,-0.6 -2,-0.2 0.747 97.6 82.1 -98.0 -34.7 11.3 16.2 26.5 73 74 A V < - 0 0 9 -4,-2.3 4,-0.1 -5,-0.3 -36,-0.1 -0.525 64.2-163.0 -66.2 133.6 11.2 12.5 26.1 74 75 A S + 0 0 101 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.445 67.2 65.0-101.7 -3.0 14.8 11.2 26.4 75 76 A V S S- 0 0 28 1,-0.1 2,-0.2 -31,-0.0 -29,-0.2 -0.512 103.4 -60.5-107.3-178.5 14.1 7.8 24.9 76 77 A N E -e 46 0A 50 -31,-1.5 -29,-2.3 -2,-0.2 2,-0.5 -0.451 47.0-159.4 -68.8 128.2 12.9 6.7 21.4 77 78 A L E -e 47 0A 4 19,-0.3 21,-1.9 -2,-0.2 22,-1.5 -0.935 4.6-167.3-109.0 130.3 9.6 8.0 20.3 78 79 A Q E -ef 48 99A 0 -31,-3.2 -29,-2.7 -2,-0.5 2,-0.4 -0.945 8.1-160.6-117.4 135.0 7.7 6.3 17.5 79 80 A V E +ef 49 100A 0 20,-2.4 22,-3.4 -2,-0.4 2,-0.3 -0.955 14.9 165.2-126.8 136.7 4.7 8.0 15.8 80 81 A G E +e 50 0A 3 -31,-2.8 -29,-2.7 -2,-0.4 -25,-0.1 -0.849 15.6 131.2-135.3 171.9 1.7 6.7 13.7 81 82 A G S S- 0 0 10 20,-0.4 -25,-0.0 -2,-0.3 -31,-0.0 0.393 87.6 -44.9 139.8 78.2 -1.6 8.0 12.5 82 83 A G S S+ 0 0 43 1,-0.2 2,-0.6 -27,-0.1 20,-0.1 0.857 76.2 176.5 48.4 44.4 -2.7 7.7 8.9 83 84 A I + 0 0 4 18,-0.5 20,-0.7 1,-0.1 21,-0.4 -0.716 13.1 154.5 -86.0 121.0 0.7 8.9 7.7 84 85 A R + 0 0 42 -2,-0.6 2,-0.3 18,-0.1 -1,-0.1 -0.064 43.0 66.8-143.4 34.5 0.7 8.8 3.9 85 86 A S > - 0 0 39 1,-0.1 4,-2.2 28,-0.0 5,-0.1 -0.987 67.9-129.1-156.6 150.9 3.3 11.3 2.5 86 87 A K H > S+ 0 0 32 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.838 112.0 55.8 -65.1 -34.7 7.0 12.0 2.4 87 88 A E H > S+ 0 0 74 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.937 107.6 49.1 -63.3 -47.4 6.4 15.5 3.6 88 89 A E H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.946 112.8 46.8 -53.3 -53.5 4.6 14.2 6.6 89 90 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.883 113.9 47.9 -59.2 -40.8 7.3 11.7 7.4 90 91 A K H X S+ 0 0 105 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.879 109.3 52.5 -71.7 -37.8 10.0 14.4 7.0 91 92 A A H X S+ 0 0 36 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.892 111.5 48.1 -61.1 -39.8 8.2 16.9 9.1 92 93 A L H ><>S+ 0 0 0 -4,-2.1 5,-1.7 1,-0.2 3,-0.6 0.904 109.2 49.8 -71.3 -43.2 7.9 14.3 11.9 93 94 A L H 3<5S+ 0 0 40 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.738 106.4 59.1 -68.2 -21.8 11.6 13.2 11.9 94 95 A D H 3<5S+ 0 0 104 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.748 97.2 58.9 -77.9 -25.0 12.5 16.9 12.0 95 96 A C T <<5S- 0 0 8 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.601 130.4 -97.2 -74.7 -11.7 10.7 17.3 15.3 96 97 A G T 5 + 0 0 46 -3,-0.5 -19,-0.3 -4,-0.4 2,-0.2 0.552 69.2 158.2 103.9 13.1 13.0 14.6 16.6 97 98 A V < - 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