==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-DEC-05 2FEW . COMPND 2 MOLECULE: PTS SYSTEM MANNITOL-SPECIFIC EIICBA COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.M.CLORE,J.Y.SUH . 240 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 32.5 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 0 1 1 1 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A L 0 0 142 0, 0.0 2,-0.4 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 -23.2 89.9 6.0 -2.3 2 5 A F - 0 0 43 109,-0.1 2,-0.2 73,-0.0 73,-0.1 -0.987 360.0-130.5-136.7 144.6 90.4 5.1 1.3 3 6 A K - 0 0 171 -2,-0.4 2,-0.4 71,-0.3 73,-0.4 -0.581 23.7-171.0 -83.6 143.2 88.2 5.3 4.5 4 7 A L + 0 0 46 -2,-0.2 2,-0.3 71,-0.1 73,-0.1 -0.989 22.9 130.6-138.3 126.8 89.8 6.9 7.5 5 8 A G S > S- 0 0 20 -2,-0.4 3,-1.6 1,-0.0 4,-0.2 -0.866 71.7 -67.7-154.3-169.6 88.2 6.8 10.9 6 9 A A G > S+ 0 0 71 1,-0.3 3,-1.3 -2,-0.3 129,-0.0 0.843 121.9 66.5 -60.9 -35.7 89.0 6.0 14.6 7 10 A E G 3 S+ 0 0 139 1,-0.2 -1,-0.3 3,-0.0 25,-0.0 0.632 108.0 37.6 -64.7 -15.3 89.4 2.3 13.8 8 11 A N G < S+ 0 0 3 -3,-1.6 70,-2.8 69,-0.1 2,-0.5 0.208 95.3 91.6-126.4 25.7 92.5 2.9 11.6 9 12 A I E < -a 78 0A 10 -3,-1.3 2,-0.5 -4,-0.2 70,-0.2 -0.944 49.5-176.5-117.5 123.8 94.3 5.7 13.6 10 13 A F E -a 79 0A 37 68,-2.7 70,-3.3 -2,-0.5 3,-0.4 -0.906 8.2-170.3-126.9 104.9 96.9 4.5 16.2 11 14 A L + 0 0 43 -2,-0.5 121,-0.1 1,-0.2 70,-0.1 -0.561 57.0 17.5 -98.1 159.4 98.6 7.2 18.3 12 15 A G S S+ 0 0 47 119,-0.2 -1,-0.2 -2,-0.2 69,-0.2 0.785 77.7 160.3 57.3 38.1 101.5 7.3 20.7 13 16 A R - 0 0 102 67,-2.7 70,-0.5 -3,-0.4 2,-0.3 -0.342 25.6-151.5 -82.0 170.0 103.1 4.0 19.6 14 17 A K + 0 0 151 67,-0.1 2,-0.3 68,-0.1 71,-0.1 -0.988 17.1 169.2-140.9 140.4 106.6 2.9 20.3 15 18 A A - 0 0 23 -2,-0.3 3,-0.1 69,-0.3 -2,-0.0 -0.930 28.0-154.6-155.6 133.4 108.9 0.6 18.3 16 19 A A S S+ 0 0 92 -2,-0.3 2,-0.3 1,-0.1 70,-0.2 0.782 85.3 29.1 -77.8 -26.5 112.6 -0.1 18.5 17 20 A T S > S- 0 0 53 1,-0.1 4,-1.7 68,-0.1 3,-0.1 -0.950 73.5-123.6-132.6 158.6 112.8 -1.1 14.9 18 21 A K H > S+ 0 0 36 68,-0.4 4,-2.9 -2,-0.3 5,-0.2 0.863 112.0 62.2 -65.9 -32.8 111.1 -0.4 11.6 19 22 A E H > S+ 0 0 65 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 103.7 47.8 -61.2 -41.6 110.4 -4.2 11.3 20 23 A E H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 112.9 48.3 -62.8 -42.2 108.3 -4.0 14.4 21 24 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.897 112.6 48.5 -63.7 -43.0 106.4 -1.0 13.2 22 25 A I H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.915 109.7 52.2 -63.4 -42.4 105.8 -2.6 9.8 23 26 A R H X S+ 0 0 111 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.893 109.9 49.3 -62.0 -37.6 104.5 -5.8 11.4 24 27 A F H X S+ 0 0 34 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.953 112.1 47.1 -66.9 -49.3 102.1 -3.8 13.5 25 28 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.937 113.8 49.4 -55.8 -47.0 100.8 -1.9 10.5 26 29 A G H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.902 108.8 52.0 -58.3 -43.8 100.5 -5.3 8.6 27 30 A E H X S+ 0 0 103 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.876 110.6 48.7 -61.3 -38.6 98.6 -6.9 11.5 28 31 A Q H X S+ 0 0 27 -4,-2.1 4,-2.2 2,-0.2 6,-0.2 0.856 108.0 53.0 -73.1 -34.8 96.1 -3.9 11.5 29 32 A L H <>S+ 0 0 0 -4,-2.3 5,-2.1 -5,-0.2 6,-1.2 0.904 113.3 45.1 -64.1 -38.4 95.6 -4.2 7.7 30 33 A V H ><5S+ 0 0 48 -4,-2.1 3,-1.7 4,-0.2 -2,-0.2 0.961 110.8 54.3 -68.2 -47.2 94.8 -7.9 8.3 31 34 A K H 3<5S+ 0 0 161 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.825 107.7 48.5 -56.2 -39.9 92.6 -7.1 11.3 32 35 A G T 3<5S- 0 0 27 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.259 116.9-109.7 -86.0 8.7 90.4 -4.6 9.3 33 36 A G T < 5S+ 0 0 30 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.668 85.4 121.4 73.1 20.8 90.0 -7.1 6.4 34 37 A Y S - 0 0 58 34,-2.9 3,-2.0 -2,-0.3 4,-0.3 -0.493 48.1 -94.1 -86.5 162.8 95.1 -11.6 3.9 37 40 A P T >> S+ 0 0 90 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.780 118.6 67.0 -49.7 -36.4 97.9 -12.9 6.3 38 41 A E H 3> S+ 0 0 98 1,-0.3 4,-1.4 2,-0.2 3,-0.2 0.722 86.6 72.7 -60.5 -21.6 100.5 -13.3 3.5 39 42 A Y H <> S+ 0 0 1 -3,-2.0 4,-1.6 31,-0.2 -1,-0.3 0.790 84.1 65.9 -66.4 -28.2 100.6 -9.6 3.0 40 43 A V H <> S+ 0 0 25 -3,-1.5 4,-1.5 -4,-0.3 3,-0.4 0.943 105.7 41.1 -60.8 -48.8 102.4 -8.9 6.3 41 44 A Q H X S+ 0 0 93 -4,-0.5 4,-3.5 1,-0.2 -1,-0.2 0.863 109.8 60.4 -66.8 -34.2 105.6 -10.7 5.1 42 45 A A H X S+ 0 0 7 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.844 103.0 51.5 -61.6 -32.5 105.2 -9.1 1.7 43 46 A M H X S+ 0 0 1 -4,-1.6 4,-1.8 -3,-0.4 19,-0.3 0.898 112.0 46.0 -69.4 -38.6 105.4 -5.6 3.4 44 47 A L H X S+ 0 0 6 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.909 111.6 52.5 -70.4 -39.3 108.6 -6.8 5.1 45 48 A D H X S+ 0 0 69 -4,-3.5 4,-1.1 1,-0.2 -2,-0.2 0.910 109.1 49.4 -57.8 -45.4 109.9 -8.2 1.8 46 49 A R H X S+ 0 0 0 -4,-2.2 4,-1.2 16,-0.2 3,-0.3 0.881 105.7 57.5 -63.2 -38.6 109.2 -4.8 0.1 47 50 A E H < S+ 0 0 7 -4,-1.8 3,-0.2 1,-0.2 -1,-0.2 0.892 101.5 56.4 -61.1 -36.7 111.1 -2.9 2.9 48 51 A K H < S+ 0 0 152 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.838 100.3 58.5 -62.5 -37.8 114.2 -5.0 2.2 49 52 A L H < S- 0 0 90 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.913 132.8 -29.2 -61.0 -42.6 114.3 -3.9 -1.5 50 53 A T S < S- 0 0 20 -4,-1.2 -1,-0.3 -3,-0.2 106,-0.0 -0.871 80.2 -88.4-172.5 138.0 114.5 -0.2 -0.7 51 54 A P - 0 0 19 0, 0.0 109,-0.5 0, 0.0 37,-0.1 -0.164 20.8-142.9 -55.5 151.7 113.1 1.7 2.3 52 55 A T + 0 0 2 35,-0.3 8,-2.0 107,-0.1 2,-0.2 0.264 61.5 125.8 -99.8 10.0 109.6 3.1 2.2 53 56 A Y B -B 59 0A 15 34,-0.4 6,-0.3 6,-0.2 36,-0.1 -0.522 41.7-169.8 -63.3 137.8 110.7 6.2 4.1 54 57 A L - 0 0 0 4,-3.2 5,-0.1 1,-0.4 -1,-0.1 0.261 39.9-105.1-117.7 10.9 109.6 9.2 2.0 55 58 A G S > S+ 0 0 2 3,-0.5 3,-1.4 1,-0.0 -1,-0.4 -0.110 94.8 73.4 86.4 170.5 111.5 12.0 3.8 56 59 A E T 3 S- 0 0 88 1,-0.3 3,-0.1 -3,-0.1 39,-0.1 0.835 126.4 -63.4 54.5 38.3 109.9 14.6 6.1 57 60 A S T 3 S+ 0 0 8 37,-0.2 40,-2.3 1,-0.2 39,-2.1 0.669 107.0 121.4 63.9 22.5 109.4 12.1 9.0 58 61 A I E < - c 0 97A 2 -3,-1.4 -4,-3.2 37,-0.2 -3,-0.5 -0.945 36.4-179.4-118.8 137.0 107.0 9.9 7.0 59 62 A A E -Bc 53 98A 0 38,-2.7 40,-3.3 -2,-0.4 -6,-0.2 -0.985 7.5-168.5-130.6 142.2 107.2 6.2 6.0 60 63 A V - 0 0 1 -8,-2.0 40,-0.2 -2,-0.4 38,-0.1 -0.626 12.4-167.2-130.9 71.0 104.6 4.4 3.9 61 64 A P + 0 0 2 0, 0.0 40,-2.5 0, 0.0 2,-0.3 -0.298 16.4 161.6 -63.2 141.4 105.2 0.6 4.0 62 65 A Q - 0 0 0 -19,-0.3 -16,-0.2 38,-0.2 40,-0.1 -0.933 36.4 -91.2-151.7 171.2 103.4 -1.6 1.6 63 66 A G - 0 0 0 38,-0.5 -20,-0.2 -2,-0.3 2,-0.1 -0.333 45.4 -95.3 -84.1 170.6 103.5 -5.1 -0.0 64 67 A T > - 0 0 19 -22,-0.2 3,-1.8 -25,-0.1 4,-0.2 -0.442 34.9-104.5 -79.1 167.8 105.3 -6.1 -3.2 65 68 A V G > S+ 0 0 89 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.803 119.6 65.6 -59.5 -27.4 103.6 -6.4 -6.6 66 69 A E G 3 S+ 0 0 180 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.775 96.7 54.8 -66.4 -27.8 103.7 -10.2 -6.1 67 70 A A G X S+ 0 0 9 -3,-1.8 3,-2.3 1,-0.2 4,-0.3 0.332 70.8 114.1 -90.7 11.5 101.3 -9.9 -3.2 68 71 A K G X S+ 0 0 89 -3,-1.4 3,-1.2 1,-0.3 37,-0.3 0.805 74.0 54.1 -52.6 -37.8 98.6 -8.0 -5.2 69 72 A D G 3 S+ 0 0 130 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.489 97.4 65.0 -78.2 -1.2 96.1 -10.9 -5.0 70 73 A R G < S+ 0 0 73 -3,-2.3 -34,-2.9 -34,-0.1 2,-0.5 0.380 82.4 97.0 -97.0 3.3 96.4 -11.1 -1.1 71 74 A V B < +E 35 0B 16 -3,-1.2 -36,-0.3 -4,-0.3 34,-0.2 -0.817 48.6 179.9 -92.4 124.7 94.8 -7.6 -1.0 72 75 A L - 0 0 98 -38,-2.8 2,-0.3 -2,-0.5 -37,-0.2 0.815 67.2 -6.7 -93.8 -37.6 91.1 -7.7 -0.3 73 76 A K S S- 0 0 93 -39,-2.2 -1,-0.4 31,-0.0 2,-0.0 -0.980 79.1 -91.4-160.5 146.8 90.4 -3.9 -0.3 74 77 A T + 0 0 30 -2,-0.3 -71,-0.3 -3,-0.1 2,-0.3 -0.356 61.1 148.4 -61.0 131.0 92.3 -0.7 -0.5 75 78 A G E - D 0 102A 0 27,-2.9 27,-2.6 -73,-0.1 2,-0.3 -0.978 33.0-149.8-163.3 162.0 93.1 0.6 3.0 76 79 A V E - D 0 101A 2 -73,-0.4 2,-0.5 -2,-0.3 25,-0.2 -0.985 5.4-153.6-136.6 149.7 95.5 2.5 5.2 77 80 A V E - D 0 100A 2 23,-2.5 23,-2.0 -2,-0.3 2,-0.7 -0.984 15.1-149.2-128.8 116.3 96.6 2.3 8.8 78 81 A F E -aD 9 99A 4 -70,-2.8 -68,-2.7 -2,-0.5 2,-0.5 -0.818 18.3-175.0 -88.0 114.1 97.9 5.6 10.3 79 82 A C E -aD 10 98A 0 19,-2.0 19,-2.9 -2,-0.7 2,-0.5 -0.950 10.1-155.0-119.9 122.0 100.5 4.8 13.0 80 83 A Q E + D 0 97A 5 -70,-3.3 -67,-2.7 -2,-0.5 17,-0.2 -0.808 13.1 179.0-100.1 126.1 102.0 7.6 15.1 81 84 A Y E > - 0 0 5 15,-3.5 3,-1.7 -2,-0.5 -67,-0.1 -0.800 2.5-177.1-123.6 86.6 105.5 7.2 16.7 82 85 A P E 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -68,-0.1 0.835 86.0 49.1 -55.6 -35.7 106.2 10.4 18.5 83 86 A E E 3 S- 0 0 145 -70,-0.5 13,-0.1 1,-0.1 -69,-0.1 0.558 115.3-124.1 -80.8 -12.0 109.7 9.2 19.5 84 87 A G E < - 0 0 16 -3,-1.7 2,-0.4 45,-0.1 -69,-0.3 0.174 12.0-125.0 87.5 154.5 110.4 8.2 15.9 85 88 A V E - D 0 95A 3 10,-1.7 10,-2.9 -4,-0.1 2,-0.2 -0.975 27.5-118.2-137.8 121.3 111.5 5.0 14.2 86 89 A R E + D 0 94A 117 -2,-0.4 -68,-0.4 8,-0.2 8,-0.3 -0.486 51.0 150.8 -61.6 124.4 114.5 4.9 12.0 87 90 A F + 0 0 2 6,-2.9 -34,-0.4 -2,-0.2 -35,-0.3 0.622 41.1 68.6-127.9 -32.0 113.2 4.0 8.5 88 91 A G S S- 0 0 3 5,-2.1 5,-0.1 2,-0.3 -36,-0.1 -0.075 95.2 -83.7 -83.9-170.9 115.3 5.4 5.8 89 92 A E S S+ 0 0 82 -36,-0.1 2,-0.2 -38,-0.1 -1,-0.0 0.910 108.3 50.0 -59.3 -49.2 118.8 4.8 4.5 90 93 A E S > S- 0 0 99 1,-0.1 3,-1.3 4,-0.0 -2,-0.3 -0.551 88.3-114.0 -91.8 167.1 120.6 7.0 7.1 91 94 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.1 0.764 117.7 60.4 -68.5 -23.4 120.3 7.1 10.9 92 95 A D T 3 S+ 0 0 125 1,-0.1 2,-2.0 -6,-0.1 -1,-0.3 0.667 79.5 93.9 -75.4 -20.0 118.9 10.7 10.4 93 96 A D < + 0 0 23 -3,-1.3 -6,-2.9 -5,-0.1 -5,-2.1 -0.495 57.8 162.8 -80.5 79.9 116.0 9.2 8.4 94 97 A I E - D 0 86A 58 -2,-2.0 2,-0.5 -8,-0.3 -8,-0.2 -0.846 26.2-152.1-103.3 133.9 113.5 8.9 11.2 95 98 A A E + D 0 85A 0 -10,-2.9 -10,-1.7 -2,-0.4 -37,-0.2 -0.905 21.4 173.2-107.7 132.1 109.7 8.5 10.7 96 99 A R E S+ 0 0 45 -39,-2.1 -15,-3.5 -2,-0.5 2,-0.5 0.537 79.7 57.1-103.9 -16.6 107.2 9.7 13.3 97 100 A L E -cD 58 80A 0 -40,-2.3 -38,-2.7 -17,-0.2 2,-0.6 -0.971 65.1-179.9-116.9 113.9 104.3 8.9 10.9 98 101 A V E -cD 59 79A 0 -19,-2.9 -19,-2.0 -2,-0.5 2,-0.7 -0.968 6.4-172.5-115.2 103.9 104.3 5.2 9.7 99 102 A I E - 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