==== 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 BIOSYNTHETIC PROTEIN 28-JUN-02 1IXO . COMPND 2 MOLECULE: PYRIDOXINE 5'-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GARRIDO-FRANCO,B.LABER,R.HUBER,T.CLAUSEN . 940 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 713 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 163 17.3 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 . 64 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 372 39.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.8 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 2 6 0 1 3 6 14 0 0 4 0 1 3 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 7 19 6 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 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 4 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 2 A A 0 0 147 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 178.8 19.3 -27.0 -13.2 2 3 A E - 0 0 98 1,-0.1 2,-0.3 233,-0.0 230,-0.0 -0.199 360.0-105.1 -57.4 145.8 19.5 -24.1 -10.7 3 4 A L - 0 0 1 225,-0.1 201,-0.2 228,-0.1 2,-0.2 -0.623 46.3-135.5 -69.9 130.7 16.5 -23.4 -8.5 4 5 A L E -a 204 0A 28 199,-2.8 201,-2.2 -2,-0.3 2,-0.5 -0.549 10.1-144.9 -94.8 159.5 15.0 -20.3 -10.0 5 6 A L E -a 205 0A 0 32,-0.3 34,-3.4 199,-0.2 35,-1.1 -0.985 8.7-167.4-122.2 122.8 13.7 -17.1 -8.3 6 7 A G E -ab 206 40A 0 199,-3.3 201,-2.5 -2,-0.5 2,-0.6 -0.953 15.1-147.6-107.5 125.8 10.7 -15.3 -9.7 7 8 A V E -ab 207 41A 0 33,-2.6 35,-2.5 -2,-0.5 2,-0.7 -0.856 1.3-149.1-100.4 123.3 10.2 -11.9 -8.1 8 9 A N E - b 0 42A 19 199,-2.4 3,-0.4 -2,-0.6 204,-0.2 -0.787 13.2-176.4 -89.7 116.3 6.7 -10.5 -7.7 9 10 A I >> + 0 0 0 33,-1.8 3,-2.1 -2,-0.7 4,-1.1 0.262 47.2 114.7 -98.3 14.0 6.8 -6.7 -7.9 10 11 A D H >> S+ 0 0 7 32,-0.5 4,-1.4 1,-0.3 3,-0.6 0.872 73.7 57.6 -47.3 -43.8 3.1 -6.1 -7.3 11 12 A H H 3> S+ 0 0 59 -3,-0.4 4,-1.4 1,-0.3 -1,-0.3 0.597 92.5 64.7 -72.8 -8.7 3.9 -4.4 -4.0 12 13 A I H <> S+ 0 0 17 -3,-2.1 4,-1.4 2,-0.2 -1,-0.3 0.907 107.6 45.6 -70.5 -42.8 6.1 -1.8 -5.6 13 14 A A H X S+ 0 0 15 -4,-1.4 3,-1.6 1,-0.2 4,-0.8 0.940 105.5 53.3 -70.9 -48.1 2.8 3.8 -5.8 17 18 A N H 3< S+ 0 0 61 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.587 88.0 79.7 -67.9 -9.3 -1.0 3.7 -6.1 18 19 A A T 3< S+ 0 0 77 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.1 0.538 110.0 24.8 -73.9 -1.6 -1.4 5.0 -2.5 19 20 A R T <4 S- 0 0 200 -3,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.614 92.2-121.2-137.9 -17.9 -0.7 8.5 -4.1 20 21 A G S < S+ 0 0 76 -4,-0.8 -3,-0.1 1,-0.3 -4,-0.1 0.256 76.1 119.9 89.6 -18.3 -1.5 8.9 -7.8 21 22 A T S S- 0 0 44 -5,-0.4 -1,-0.3 2,-0.2 -2,-0.2 -0.124 74.1-119.0 -69.0 176.0 2.2 9.8 -8.4 22 23 A A + 0 0 59 -3,-0.1 -6,-0.1 517,-0.1 -1,-0.1 0.548 66.5 130.3 -99.6 -5.6 4.3 7.7 -10.8 23 24 A Y + 0 0 134 -7,-0.1 -2,-0.2 2,-0.1 2,-0.1 -0.814 51.6 32.4-112.7 150.1 6.9 6.5 -8.2 24 25 A P S S- 0 0 45 0, 0.0 -8,-0.2 0, 0.0 -1,-0.1 0.574 86.0-150.0 -76.0 151.4 8.1 4.0 -7.3 25 26 A D >> - 0 0 8 -2,-0.1 4,-1.7 1,-0.1 3,-1.3 -0.772 13.1-146.4 -93.4 122.2 7.8 2.6 -10.8 26 27 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.803 99.0 65.2 -56.8 -26.4 7.5 -1.2 -11.2 27 28 A V H 3> S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 510,-0.0 0.888 103.7 44.7 -64.0 -36.9 9.5 -0.9 -14.4 28 29 A Q H <> S+ 0 0 32 -3,-1.3 4,-2.0 2,-0.2 3,-0.5 0.962 109.9 54.4 -70.0 -50.7 12.6 0.2 -12.5 29 30 A A H X S+ 0 0 6 -4,-1.7 4,-2.7 1,-0.3 5,-0.2 0.850 104.4 56.1 -50.9 -40.3 12.2 -2.5 -9.8 30 31 A A H X S+ 0 0 2 -4,-2.0 4,-2.9 -5,-0.2 -1,-0.3 0.915 105.9 49.5 -61.8 -43.3 12.1 -5.2 -12.5 31 32 A F H X S+ 0 0 10 -4,-1.3 4,-1.3 -3,-0.5 -2,-0.2 0.921 113.1 47.6 -60.2 -45.3 15.5 -4.1 -13.9 32 33 A I H >< S+ 0 0 47 -4,-2.0 3,-0.7 2,-0.2 4,-0.4 0.969 114.1 46.0 -61.0 -53.7 17.0 -4.1 -10.4 33 34 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 3,-1.6 0.911 109.3 53.7 -59.2 -45.6 15.6 -7.5 -9.5 34 35 A E H 3<5S+ 0 0 19 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.796 112.6 45.7 -61.6 -25.5 16.6 -9.2 -12.9 35 36 A Q T <<5S+ 0 0 121 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.384 111.2 53.2 -97.1 4.6 20.2 -8.0 -12.3 36 37 A A T < 5S- 0 0 13 -3,-1.6 192,-0.3 -4,-0.4 -1,-0.2 0.136 134.2 -59.2-124.3 18.5 20.3 -9.1 -8.6 37 38 A G T 5S+ 0 0 21 -3,-0.4 2,-0.3 1,-0.4 -32,-0.3 0.295 90.6 129.1 123.5 -11.5 19.2 -12.8 -8.7 38 39 A A < - 0 0 4 -5,-2.3 -1,-0.4 -6,-0.2 -32,-0.2 -0.616 31.8-174.5 -79.2 134.2 15.7 -12.8 -10.2 39 40 A D S S+ 0 0 40 -34,-3.4 28,-0.3 -2,-0.3 2,-0.3 0.506 73.4 11.4-101.7 -9.0 15.3 -15.2 -13.1 40 41 A G E -b 6 0A 1 -35,-1.1 -33,-2.6 26,-0.2 2,-0.4 -0.974 69.1-129.7-161.0 159.9 11.8 -14.0 -13.8 41 42 A I E -bc 7 68A 1 26,-2.2 28,-2.2 -2,-0.3 2,-0.4 -0.968 19.2-158.5-121.8 137.3 9.4 -11.2 -12.9 42 43 A T E +bc 8 69A 0 -35,-2.5 -33,-1.8 -2,-0.4 -32,-0.5 -0.954 11.8 175.5-121.0 130.3 5.8 -11.8 -11.8 43 44 A V E - c 0 70A 0 26,-1.8 28,-3.5 -2,-0.4 2,-0.6 -0.974 20.4-145.2-130.2 144.6 2.9 -9.3 -11.8 44 45 A H E - c 0 71A 37 -2,-0.4 2,-1.0 26,-0.2 8,-0.5 -0.935 9.2-154.1-112.9 111.8 -0.7 -9.9 -10.9 45 46 A L - 0 0 2 26,-1.8 28,-0.4 -2,-0.6 2,-0.3 -0.749 17.5-160.7 -83.7 107.0 -3.1 -8.0 -13.0 46 47 A R > - 0 0 87 -2,-1.0 3,-2.1 6,-0.5 49,-0.0 -0.693 24.5-125.8 -91.1 145.2 -6.2 -7.6 -10.7 47 48 A E T 3 S+ 0 0 88 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.836 115.9 49.1 -56.8 -33.3 -9.5 -6.8 -12.3 48 49 A D T 3 S- 0 0 100 -3,-0.0 -1,-0.3 1,-0.0 -3,-0.0 0.496 106.1-134.1 -83.3 -4.7 -9.8 -3.8 -9.9 49 50 A R < + 0 0 54 -3,-2.1 -2,-0.1 1,-0.1 -4,-0.1 0.869 42.8 165.4 52.2 41.1 -6.3 -2.8 -11.0 50 51 A R S S- 0 0 97 3,-0.0 3,-0.1 0, 0.0 -1,-0.1 0.909 73.3 -14.9 -50.9 -52.3 -5.3 -2.2 -7.3 51 52 A H S S+ 0 0 6 1,-0.3 2,-0.1 -7,-0.2 -6,-0.1 0.622 124.4 56.3-118.8 -80.7 -1.6 -2.1 -8.1 52 53 A I S S- 0 0 0 -8,-0.5 -6,-0.5 4,-0.1 -1,-0.3 -0.400 71.3-162.9 -63.1 131.1 -0.3 -3.4 -11.4 53 54 A T > - 0 0 39 -2,-0.1 4,-2.1 -8,-0.1 5,-0.2 -0.627 35.8-100.0-111.9 172.0 -2.0 -1.5 -14.3 54 55 A D H > S+ 0 0 85 1,-0.2 4,-2.6 -2,-0.2 5,-0.1 0.817 123.4 56.9 -60.0 -31.8 -2.3 -2.1 -18.0 55 56 A R H > S+ 0 0 50 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.946 104.2 50.8 -64.6 -48.9 0.5 0.3 -18.5 56 57 A D H > S+ 0 0 0 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.966 113.4 44.4 -54.0 -55.5 2.9 -1.6 -16.3 57 58 A V H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.922 114.2 50.7 -57.6 -43.9 2.2 -4.8 -18.1 58 59 A R H X S+ 0 0 119 -4,-2.6 4,-0.6 -5,-0.2 -1,-0.2 0.927 118.6 36.0 -60.3 -46.8 2.4 -3.1 -21.5 59 60 A I H >X S+ 0 0 0 -4,-3.3 3,-1.5 2,-0.2 4,-1.4 0.943 115.9 54.0 -72.2 -46.0 5.8 -1.4 -20.7 60 61 A L H 3X S+ 0 0 0 -4,-3.6 4,-2.5 -5,-0.3 3,-0.5 0.892 100.8 60.8 -53.5 -42.7 7.2 -4.4 -18.7 61 62 A R H 3< S+ 0 0 112 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 0.823 112.4 39.8 -57.4 -27.0 6.4 -6.7 -21.6 62 63 A Q H << S+ 0 0 67 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.625 120.3 41.5 -96.3 -17.7 8.9 -4.5 -23.6 63 64 A T H < S+ 0 0 6 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.2 0.649 81.4 108.4-107.3 -15.4 11.5 -3.9 -20.9 64 65 A L < - 0 0 28 -4,-2.5 4,-0.1 -5,-0.2 -33,-0.1 -0.415 46.9-164.1 -66.5 135.5 12.0 -7.3 -19.2 65 66 A D S S+ 0 0 89 -2,-0.1 -1,-0.1 -35,-0.1 431,-0.1 0.643 82.3 31.1 -91.0 -19.4 15.3 -9.0 -20.0 66 67 A T S S- 0 0 50 1,-0.1 2,-0.3 0, 0.0 -26,-0.2 0.436 110.2 -61.8-107.3-116.9 14.1 -12.3 -18.7 67 68 A R - 0 0 52 -28,-0.3 -26,-2.2 20,-0.0 2,-0.3 -0.994 36.2-121.6-143.2 153.9 10.4 -13.5 -18.8 68 69 A M E -c 41 0A 6 -2,-0.3 21,-2.5 -28,-0.2 2,-0.6 -0.674 9.9-161.7 -92.9 141.7 7.1 -12.4 -17.4 69 70 A N E -cd 42 89A 10 -28,-2.2 -26,-1.8 -2,-0.3 2,-0.7 -0.954 16.5-155.6-120.1 105.0 4.8 -14.5 -15.3 70 71 A L E -cd 43 90A 0 19,-2.3 21,-2.5 -2,-0.6 2,-0.5 -0.752 2.0-155.1 -86.5 112.5 1.3 -13.0 -15.5 71 72 A E E +cd 44 91A 12 -28,-3.5 -26,-1.8 -2,-0.7 2,-0.3 -0.777 31.8 150.0 -88.5 126.7 -0.8 -13.8 -12.5 72 73 A M E - d 0 92A 0 19,-2.0 21,-2.4 -2,-0.5 2,-0.1 -0.989 45.4-109.6-154.7 159.3 -4.5 -13.6 -13.4 73 74 A A E - d 0 93A 5 -28,-0.4 2,-1.5 -2,-0.3 6,-0.1 -0.412 46.2 -99.1 -84.2 167.8 -7.9 -15.1 -12.6 74 75 A V S S+ 0 0 11 19,-0.6 2,-0.3 -2,-0.1 21,-0.1 -0.599 74.1 130.7 -91.8 79.6 -9.6 -17.3 -15.1 75 76 A T > - 0 0 31 -2,-1.5 4,-2.7 1,-0.1 5,-0.3 -0.918 69.9-113.4-127.6 155.1 -12.0 -14.8 -16.7 76 77 A E H > S+ 0 0 118 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.870 116.5 54.5 -52.3 -40.7 -12.7 -14.0 -20.3 77 78 A E H > S+ 0 0 80 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.976 111.9 40.4 -57.3 -60.7 -11.2 -10.5 -19.8 78 79 A M H > S+ 0 0 0 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.888 113.4 53.6 -58.3 -44.7 -7.9 -11.8 -18.4 79 80 A L H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.913 108.6 50.6 -59.2 -41.9 -7.6 -14.6 -20.9 80 81 A A H X S+ 0 0 43 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.936 112.6 46.5 -62.4 -44.2 -8.1 -12.2 -23.7 81 82 A I H X S+ 0 0 39 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.927 110.4 52.8 -63.8 -44.4 -5.4 -9.9 -22.3 82 83 A A H X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.938 108.7 50.2 -56.6 -48.2 -3.0 -12.8 -21.8 83 84 A V H < S+ 0 0 40 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.893 113.8 44.8 -57.8 -43.2 -3.4 -13.9 -25.4 84 85 A E H < S+ 0 0 152 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.925 117.0 45.5 -67.1 -44.5 -2.7 -10.4 -26.7 85 86 A T H < S- 0 0 25 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.774 87.8-153.6 -70.2 -30.4 0.3 -10.0 -24.3 86 87 A K < - 0 0 97 -4,-2.7 -3,-0.1 -5,-0.2 -4,-0.1 0.925 17.6-169.4 53.7 49.6 1.9 -13.3 -24.9 87 88 A P - 0 0 2 0, 0.0 35,-0.2 0, 0.0 -18,-0.1 -0.248 29.7-122.5 -61.2 160.6 3.6 -13.5 -21.5 88 89 A H S S+ 0 0 87 -20,-0.5 34,-2.3 1,-0.2 2,-0.3 0.931 95.4 21.5 -71.3 -42.3 6.1 -16.4 -21.2 89 90 A F E -de 69 122A 12 -21,-2.5 -19,-2.3 32,-0.2 2,-0.4 -0.883 64.3-164.0-125.5 156.2 4.2 -17.8 -18.3 90 91 A C E -de 70 123A 0 32,-1.8 34,-2.7 -2,-0.3 2,-0.6 -0.995 5.8-160.3-139.0 127.3 0.7 -17.4 -17.0 91 92 A C E -de 71 124A 0 -21,-2.5 -19,-2.0 -2,-0.4 2,-0.4 -0.930 12.5-148.9-114.7 111.1 -0.2 -18.4 -13.5 92 93 A L E +de 72 125A 0 32,-2.8 34,-2.4 -2,-0.6 8,-0.2 -0.644 25.9 168.3 -83.0 129.2 -4.0 -18.9 -13.0 93 94 A V E -d 73 0A 6 -21,-2.4 -19,-0.6 -2,-0.4 2,-0.2 -0.781 37.7 -84.6-132.4 171.8 -5.3 -18.1 -9.6 94 95 A P 0 0 43 0, 0.0 6,-0.1 0, 0.0 -21,-0.0 -0.515 360.0 360.0 -78.6 151.5 -8.7 -17.6 -7.8 95 96 A E 0 0 154 -2,-0.2 -22,-0.1 -21,-0.1 -48,-0.0 0.107 360.0 360.0 -71.2 360.0 -10.4 -14.2 -8.0 96 ! 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 97 104 A E 0 0 113 0, 0.0 30,-0.0 0, 0.0 53,-0.0 0.000 360.0 360.0 360.0 -2.1 -6.9 -22.6 1.4 98 105 A G + 0 0 40 1,-0.3 3,-0.1 28,-0.0 28,-0.0 0.330 360.0 124.6 130.6 -6.8 -6.8 -20.4 -1.6 99 106 A G - 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