==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-MAY-04 1WJW . COMPND 2 MOLECULE: PHOSPHOACETYLGLUCOSAMINE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR M.YONEYAMA,N.TOCHIO,K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA, . 112 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8915.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 50.9 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 . 14 12.5 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 . 1 0.9 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 . 8 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 0 0 0 0 0 1 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 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 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 1 A G 0 0 133 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.8 -19.0 37.7 36.8 2 2 A S - 0 0 128 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.928 360.0-161.7-177.5 156.2 -16.7 34.9 35.8 3 3 A S - 0 0 123 -2,-0.3 2,-0.1 2,-0.0 0, 0.0 -0.984 2.8-169.6-148.7 154.7 -15.4 33.0 32.8 4 4 A G - 0 0 71 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 -0.047 14.3-134.2-117.6-141.1 -13.8 29.7 32.0 5 5 A S - 0 0 127 -2,-0.1 2,-0.5 2,-0.0 -2,-0.0 -0.958 14.7-108.5-176.1 165.0 -12.1 28.1 29.0 6 6 A S - 0 0 123 -2,-0.3 2,-0.6 2,-0.0 0, 0.0 -0.939 21.8-158.2-113.8 129.1 -11.9 25.0 26.8 7 7 A G + 0 0 82 -2,-0.5 2,-0.3 2,-0.0 -2,-0.0 -0.916 44.3 97.4-110.6 110.9 -8.8 22.8 26.9 8 8 A A S S- 0 0 86 -2,-0.6 2,-0.1 0, 0.0 -2,-0.0 -0.932 73.7 -52.1-168.4-174.8 -8.3 20.6 23.8 9 9 A I - 0 0 131 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.463 35.0-174.0 -76.2 148.1 -6.6 20.2 20.5 10 10 A Y + 0 0 209 1,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.204 64.2 52.5-136.5 42.4 -6.9 23.1 18.0 11 11 A V + 0 0 102 2,-0.1 2,-0.4 0, 0.0 -1,-0.2 -0.700 47.7 175.5-178.5 122.2 -5.2 21.6 14.9 12 12 A D - 0 0 143 -2,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.832 28.2-135.9-138.9 96.6 -5.7 18.4 13.0 13 13 A L - 0 0 101 -2,-0.4 64,-0.1 1,-0.1 2,-0.1 0.036 37.2 -88.7 -44.8 158.7 -3.6 18.1 9.8 14 14 A P + 0 0 31 0, 0.0 62,-1.0 0, 0.0 2,-0.3 -0.411 53.3 167.2 -75.0 150.7 -5.4 16.7 6.8 15 15 A N E -A 75 0A 65 60,-0.2 2,-0.3 -3,-0.1 60,-0.2 -0.977 19.6-157.8-158.6 160.5 -5.6 13.0 6.1 16 16 A R E -A 74 0A 60 58,-1.5 58,-2.8 -2,-0.3 2,-0.3 -0.979 6.3-164.5-149.7 133.2 -7.5 10.5 4.0 17 17 A Q E -A 73 0A 95 -2,-0.3 2,-0.3 56,-0.2 56,-0.3 -0.804 8.2-179.7-116.7 158.5 -8.1 6.8 4.4 18 18 A L E -A 72 0A 28 54,-2.6 54,-2.6 -2,-0.3 2,-0.4 -0.907 18.2-138.5-147.6 172.2 -9.3 4.1 1.9 19 19 A K E -A 71 0A 63 -2,-0.3 2,-0.8 52,-0.2 52,-0.2 -0.966 5.4-162.3-143.6 122.3 -10.1 0.4 1.8 20 20 A V E -A 70 0A 6 50,-0.9 2,-3.0 -2,-0.4 50,-1.3 -0.872 14.3-148.6-108.4 99.7 -9.1 -2.0 -1.0 21 21 A K - 0 0 73 -2,-0.8 79,-0.3 79,-0.4 48,-0.1 -0.393 26.0-145.5 -66.8 75.0 -11.3 -5.1 -0.8 22 22 A V - 0 0 24 -2,-3.0 77,-0.1 77,-0.2 3,-0.1 -0.073 9.2-133.1 -43.5 140.4 -8.5 -7.3 -2.2 23 23 A A - 0 0 64 75,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.843 69.2 -64.4 -67.2 -34.5 -9.9 -10.0 -4.4 24 24 A D - 0 0 131 74,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.956 57.9 -77.4 174.4-163.1 -7.7 -12.5 -2.5 25 25 A R S S+ 0 0 116 -2,-0.3 7,-0.1 -3,-0.1 6,-0.0 -0.642 79.9 18.8-118.9 176.8 -4.1 -13.4 -1.9 26 26 A R S S+ 0 0 173 5,-0.5 2,-3.2 -2,-0.2 -2,-0.1 -0.016 84.4 81.5 56.2-166.6 -1.3 -15.2 -3.8 27 27 A V S S+ 0 0 142 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 -0.376 73.4 98.7 72.2 -66.2 -1.5 -15.6 -7.5 28 28 A I S > S- 0 0 53 -2,-3.2 3,-0.6 1,-0.1 -1,-0.1 -0.135 74.4-136.8 -50.8 146.7 -0.3 -12.0 -8.1 29 29 A S T 3 S+ 0 0 114 1,-0.2 2,-2.1 -3,-0.1 3,-0.3 0.975 101.5 48.7 -71.3 -58.6 3.4 -11.9 -8.8 30 30 A T T 3 S+ 0 0 84 1,-0.2 -1,-0.2 66,-0.2 -2,-0.1 -0.298 100.6 74.4 -79.7 53.3 4.3 -9.0 -6.6 31 31 A T S < S+ 0 0 41 -2,-2.1 -5,-0.5 -3,-0.6 2,-0.3 -0.115 79.8 75.4-158.0 44.5 2.5 -10.6 -3.7 32 32 A D + 0 0 115 -3,-0.3 -3,-0.0 -6,-0.1 0, 0.0 -0.909 63.9 42.5-149.5 173.3 4.6 -13.4 -2.5 33 33 A A - 0 0 75 -2,-0.3 -1,-0.1 1,-0.1 6,-0.0 0.408 49.8-149.5 61.7 152.3 7.8 -14.1 -0.5 34 34 A E + 0 0 173 6,-0.1 2,-0.3 5,-0.0 -1,-0.1 -0.260 56.4 94.0-152.0 53.2 8.5 -12.3 2.7 35 35 A R + 0 0 217 1,-0.2 0, 0.0 3,-0.1 0, 0.0 -0.941 55.6 44.7-143.6 163.0 12.3 -12.1 3.0 36 36 A Q S S- 0 0 170 -2,-0.3 -1,-0.2 3,-0.0 0, 0.0 0.935 114.2 -5.7 65.2 96.9 15.1 -9.7 2.2 37 37 A A S S- 0 0 74 -3,-0.1 -2,-0.1 2,-0.1 0, 0.0 0.549 109.8 -58.6 62.7 140.1 14.2 -6.2 3.3 38 38 A V S S- 0 0 97 1,-0.1 6,-0.2 2,-0.1 -3,-0.1 -0.242 83.6 -84.8 -50.9 128.2 10.7 -5.4 4.5 39 39 A T S S+ 0 0 40 2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.556 107.7 50.8 -91.9 157.7 8.2 -6.4 1.9 40 40 A P S > S- 0 0 44 0, 0.0 2,-1.0 0, 0.0 4,-0.9 0.457 83.8-141.0 -75.0 144.8 6.9 -5.6 -0.4 41 41 A P T 4 S+ 0 0 93 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.608 86.2 14.7 -75.0 102.2 10.4 -4.7 -1.7 42 42 A G T >> S+ 0 0 32 -2,-1.0 4,-3.9 0, 0.0 3,-0.8 -0.387 102.4 85.2 133.7 -55.2 9.9 -1.4 -3.6 43 43 A L H 3>>S+ 0 0 17 1,-0.3 4,-2.9 2,-0.3 5,-0.5 0.918 93.5 49.2 -39.9 -65.0 6.5 -0.2 -2.5 44 44 A Q H 3X5S+ 0 0 82 -4,-0.9 4,-1.9 1,-0.2 -1,-0.3 0.831 118.3 43.3 -45.1 -37.5 7.9 1.5 0.6 45 45 A E H <>5S+ 0 0 128 -3,-0.8 4,-3.7 2,-0.2 5,-0.3 0.974 112.5 49.0 -73.4 -59.0 10.4 3.0 -1.8 46 46 A A H X5S+ 0 0 56 -4,-3.9 4,-1.6 1,-0.2 -2,-0.2 0.933 119.9 38.6 -44.2 -61.0 8.0 3.9 -4.6 47 47 A I H >X5S+ 0 0 15 -4,-2.9 4,-3.1 1,-0.2 3,-0.7 0.944 112.9 57.2 -56.1 -52.0 5.7 5.6 -2.1 48 48 A N H 3X S- 0 0 56 -23,-0.4 4,-2.0 -22,-0.1 5,-0.1 -0.855 83.2-129.9-112.9 147.8 -2.1 20.2 2.2 79 79 A Q H > S+ 0 0 146 -2,-0.3 4,-2.6 2,-0.2 5,-0.1 0.900 109.8 52.2 -58.3 -43.6 -5.5 18.6 1.7 80 80 A E H > S+ 0 0 115 2,-0.2 4,-3.7 1,-0.2 3,-0.4 0.977 108.9 46.6 -56.3 -62.7 -4.8 18.0 -1.9 81 81 A S H > S+ 0 0 17 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.836 113.0 53.3 -48.7 -36.4 -1.5 16.3 -1.4 82 82 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.3 0.913 117.2 36.2 -65.9 -44.3 -3.4 14.3 1.3 83 83 A D H X S+ 0 0 37 -4,-2.6 4,-3.1 -3,-0.4 5,-0.4 0.980 117.3 50.4 -71.6 -60.3 -6.1 13.3 -1.2 84 84 A R H X S+ 0 0 125 -4,-3.7 4,-3.3 1,-0.2 -3,-0.2 0.917 116.0 42.2 -41.1 -62.7 -3.9 13.0 -4.2 85 85 A L H X S+ 0 0 1 -4,-2.1 4,-4.1 -5,-0.3 -1,-0.2 0.942 116.3 50.3 -50.8 -54.9 -1.4 10.7 -2.4 86 86 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 5,-0.3 0.960 112.9 43.5 -46.7 -71.0 -4.3 8.9 -0.8 87 87 A Y H X S+ 0 0 84 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.868 118.1 48.4 -42.4 -47.4 -6.2 8.2 -4.0 88 88 A E H X S+ 0 0 40 -4,-3.3 4,-4.0 -5,-0.4 3,-0.5 0.983 109.9 49.2 -58.5 -63.3 -2.9 7.3 -5.6 89 89 A V H X S+ 0 0 2 -4,-4.1 4,-2.5 1,-0.3 5,-0.2 0.918 109.5 52.3 -40.0 -64.3 -1.7 5.0 -2.9 90 90 A S H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.3 -1,-0.3 0.867 116.0 42.0 -40.2 -48.0 -5.1 3.1 -2.9 91 91 A L H X S+ 0 0 57 -4,-1.9 4,-1.8 -3,-0.5 5,-0.3 0.948 106.5 60.3 -66.2 -50.6 -4.6 2.7 -6.6 92 92 A L H X S+ 0 0 47 -4,-4.0 4,-2.7 1,-0.2 -1,-0.2 0.824 112.2 42.7 -45.4 -35.2 -0.9 1.9 -6.3 93 93 A V H X S+ 0 0 9 -4,-2.5 4,-2.6 -5,-0.3 6,-1.2 0.946 100.6 66.2 -76.7 -53.0 -2.2 -1.0 -4.2 94 94 A F H < S+ 0 0 52 -4,-2.6 -2,-0.2 4,-0.3 -1,-0.2 0.775 119.7 27.2 -37.7 -33.7 -5.1 -1.9 -6.5 95 95 A Q H >< S+ 0 0 163 -4,-1.8 3,-2.2 3,-0.3 -2,-0.2 0.882 121.7 50.2 -95.4 -56.4 -2.3 -2.8 -8.9 96 96 A L H 3< S+ 0 0 46 -4,-2.7 -3,-0.2 1,-0.3 -66,-0.2 0.939 130.8 23.0 -46.7 -58.6 0.6 -3.7 -6.7 97 97 A A T 3< S- 0 0 22 -4,-2.6 -1,-0.3 -5,-0.1 -3,-0.1 -0.018 110.9-118.3 -98.7 27.4 -1.6 -6.1 -4.7 98 98 A G < - 0 0 23 -3,-2.2 -75,-0.5 -5,-0.2 -3,-0.3 0.793 50.2-174.9 38.4 36.3 -4.0 -6.4 -7.6 99 99 A G + 0 0 0 -6,-1.2 -77,-0.2 -8,-0.1 2,-0.2 -0.293 9.6 165.8 -61.9 143.5 -6.5 -4.9 -5.2 100 100 A I + 0 0 80 -79,-0.3 -79,-0.4 -3,-0.1 -1,-0.1 -0.388 28.8 72.0-133.6-149.7 -10.1 -4.7 -6.5 101 101 A G S S+ 0 0 34 -2,-0.2 2,-0.3 -81,-0.1 -79,-0.1 -0.361 97.1 26.5 69.6-148.2 -13.5 -4.0 -5.2 102 102 A E S S- 0 0 140 -2,-0.1 -81,-0.2 1,-0.1 -83,-0.2 -0.282 84.7-151.4 -50.8 105.6 -14.5 -0.5 -4.1 103 103 A R - 0 0 174 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.449 20.8 -95.9 -82.2 156.7 -12.1 1.6 -6.2 104 104 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -86,-0.0 -0.522 37.9-144.2 -75.0 136.7 -10.8 5.0 -5.2 105 105 A Q - 0 0 140 -2,-0.2 2,-0.3 1,-0.0 -18,-0.1 -0.725 21.1-102.6-102.4 152.3 -12.7 8.0 -6.5 106 106 A P - 0 0 97 0, 0.0 -1,-0.0 0, 0.0 -22,-0.0 -0.536 21.0-136.9 -75.0 134.3 -11.3 11.3 -7.5 107 107 A S - 0 0 65 -2,-0.3 3,-0.0 -27,-0.1 -27,-0.0 0.949 36.2-151.2 -52.1 -56.5 -11.7 14.1 -5.1 108 108 A G - 0 0 43 1,-0.1 2,-1.2 -3,-0.0 -3,-0.0 0.657 19.6-101.0 82.8 119.8 -12.7 16.6 -7.8 109 109 A P + 0 0 147 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.600 64.0 144.7 -75.0 98.4 -12.0 20.3 -7.5 110 110 A S + 0 0 112 -2,-1.2 2,-0.3 -3,-0.0 0, 0.0 -0.963 11.7 154.7-142.2 120.5 -15.4 21.7 -6.5 111 111 A S 0 0 128 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.996 360.0 360.0-147.1 142.0 -16.0 24.6 -4.1 112 112 A G 0 0 135 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.124 360.0 360.0-163.5 360.0 -18.8 27.1 -3.7