==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAR-01 1H9C . COMPND 2 MOLECULE: PTS SYSTEM, CHITOBIOSE-SPECIFIC IIB COMPONENT; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.AB,G.K.SCHUURMAN-WOLTERS,D.NIJLANT,K.DIJKSTRA,M.H.SAIER, . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 16.0 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 . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 1 1 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 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 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 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 M 0 0 177 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.9 -7.9 16.0 11.4 2 2 A E + 0 0 127 32,-0.0 2,-0.4 2,-0.0 0, 0.0 -0.484 360.0 167.3 -63.6 108.6 -4.6 15.4 9.7 3 3 A K - 0 0 97 -2,-0.3 2,-0.3 31,-0.0 31,-0.2 -0.998 24.2-146.3-131.2 137.3 -4.8 12.0 8.0 4 4 A K E -a 34 0A 69 29,-1.5 31,-2.8 -2,-0.4 2,-0.6 -0.754 15.7-127.9-102.3 147.8 -2.5 10.3 5.4 5 5 A H E +a 35 0A 53 -2,-0.3 47,-2.3 29,-0.2 48,-1.5 -0.874 22.6 179.2-105.3 115.8 -3.6 8.0 2.6 6 6 A I E -ab 36 53A 0 29,-2.9 31,-1.5 -2,-0.6 2,-0.5 -0.942 12.3-172.5-116.9 102.4 -1.9 4.6 2.2 7 7 A Y E -ab 37 54A 24 46,-1.9 48,-2.7 -2,-0.6 2,-0.4 -0.885 7.8-154.4-108.6 127.4 -3.5 2.8 -0.8 8 8 A L E -ab 38 55A 0 29,-2.8 31,-2.7 -2,-0.5 2,-0.4 -0.812 8.8-163.1-104.5 135.6 -2.6 -0.8 -1.6 9 9 A F E +ab 39 56A 1 46,-2.6 48,-2.2 -2,-0.4 2,-0.3 -0.982 21.7 143.3-130.2 130.1 -2.9 -2.4 -5.0 10 10 A X E -a 40 0A 23 29,-1.2 31,-1.1 -2,-0.4 45,-0.0 -0.885 63.2 -82.5-145.7 175.8 -3.0 -6.0 -6.3 11 11 A S S S+ 0 0 60 -2,-0.3 31,-0.3 29,-0.2 30,-0.0 0.847 122.5 9.3 -55.3 -46.2 -4.9 -7.7 -9.1 12 12 A A S S- 0 0 59 28,-0.1 -1,-0.2 27,-0.1 -3,-0.0 0.755 90.4-128.1-106.9 -31.7 -8.1 -8.3 -7.2 13 13 A G S S+ 0 0 14 26,-0.3 4,-0.1 27,-0.0 25,-0.1 0.300 81.5 93.6 97.9 -0.3 -7.8 -6.3 -4.0 14 14 A M S > S+ 0 0 139 2,-0.2 3,-0.7 1,-0.1 4,-0.3 0.828 71.5 53.0-102.1 -36.8 -8.7 -9.2 -1.6 15 15 A S T > S+ 0 0 71 1,-0.2 3,-0.8 2,-0.1 4,-0.5 0.856 104.9 59.9 -69.6 -31.9 -5.6 -11.1 -0.3 16 16 A T T 3> S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.679 82.3 89.1 -62.7 -19.0 -4.1 -7.7 0.9 17 17 A S H <> S+ 0 0 66 -3,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.812 83.8 50.7 -54.0 -41.7 -7.1 -7.2 3.2 18 18 A L H <> S+ 0 0 89 -3,-0.8 4,-2.6 -4,-0.3 -1,-0.2 0.919 110.7 48.4 -67.3 -42.7 -5.5 -9.1 6.1 19 19 A L H > S+ 0 0 5 -4,-0.5 4,-3.0 -3,-0.3 -2,-0.2 0.976 113.7 48.1 -59.2 -45.7 -2.3 -7.0 5.9 20 20 A V H X S+ 0 0 2 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.899 110.4 52.0 -57.2 -50.5 -4.5 -3.9 5.7 21 21 A S H X S+ 0 0 63 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.926 113.2 43.6 -54.7 -46.0 -6.6 -5.1 8.7 22 22 A K H X S+ 0 0 85 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.912 112.8 51.7 -67.5 -42.9 -3.4 -5.7 10.8 23 23 A M H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.945 112.6 47.3 -59.3 -43.7 -1.9 -2.3 9.7 24 24 A R H X S+ 0 0 118 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.940 110.1 51.6 -62.5 -48.3 -5.2 -0.7 10.7 25 25 A A H X S+ 0 0 55 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.813 114.5 42.9 -61.6 -36.1 -5.3 -2.5 14.1 26 26 A Q H X S+ 0 0 65 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.858 110.4 56.3 -79.0 -32.2 -1.7 -1.4 14.9 27 27 A A H <>S+ 0 0 3 -4,-2.6 5,-2.7 -5,-0.2 -2,-0.2 0.877 110.8 45.8 -64.0 -35.2 -2.4 2.2 13.6 28 28 A E H ><5S+ 0 0 160 -4,-2.5 3,-1.6 3,-0.2 -2,-0.2 0.958 113.4 48.9 -69.9 -46.7 -5.3 2.3 16.1 29 29 A K H 3<5S+ 0 0 144 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.750 119.5 37.4 -60.8 -40.8 -3.0 0.9 18.9 30 30 A Y T 3<5S- 0 0 111 -4,-2.1 -1,-0.3 2,-0.1 -2,-0.2 -0.026 110.6-120.4-104.2 24.6 -0.2 3.4 18.2 31 31 A E T < 5 + 0 0 178 -3,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.704 51.6 162.4 31.9 56.9 -2.6 6.3 17.4 32 32 A V < - 0 0 46 -5,-2.7 2,-1.8 -6,-0.2 -1,-0.2 -0.780 36.6-138.6 -99.7 108.4 -1.4 6.8 13.9 33 33 A P + 0 0 52 0, 0.0 -29,-1.5 0, 0.0 2,-0.3 -0.436 52.5 131.6 -78.1 87.1 -4.0 8.9 11.9 34 34 A V E -a 4 0A 26 -2,-1.8 2,-0.5 -31,-0.2 -29,-0.2 -0.957 53.1-136.6-139.2 148.4 -4.0 7.1 8.6 35 35 A I E -a 5 0A 52 -31,-2.8 -29,-2.9 -2,-0.3 2,-0.5 -0.952 23.8-173.7-106.8 115.9 -6.5 5.6 6.1 36 36 A I E +a 6 0A 1 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.976 14.1 159.9-119.3 114.6 -5.3 2.2 4.8 37 37 A E E -a 7 0A 71 -31,-1.5 -29,-2.8 -2,-0.5 2,-0.4 -0.963 29.9-135.5-139.6 147.7 -7.4 0.7 2.0 38 38 A A E +a 8 0A 31 -2,-0.3 -29,-0.2 -31,-0.2 -31,-0.0 -0.872 26.3 169.1-111.1 137.7 -6.9 -2.0 -0.7 39 39 A F E -a 9 0A 33 -31,-2.7 -29,-1.2 -2,-0.4 -26,-0.3 -0.949 36.9 -95.3-139.6 154.2 -8.0 -1.7 -4.4 40 40 A P E > -a 10 0A 41 0, 0.0 3,-1.8 0, 0.0 -29,-0.2 -0.494 41.3-109.6 -70.6 152.7 -7.5 -3.5 -7.7 41 41 A E G > S+ 0 0 50 -31,-1.1 3,-1.9 1,-0.3 4,-0.3 0.717 110.4 74.5 -57.7 -26.3 -4.8 -2.3 -10.1 42 42 A T G > S+ 0 0 111 1,-0.3 3,-0.5 -31,-0.3 4,-0.3 0.846 95.9 50.5 -56.1 -33.0 -7.3 -0.9 -12.6 43 43 A L G <>>S+ 0 0 48 -3,-1.8 4,-2.8 1,-0.2 5,-0.8 0.299 76.4 108.3 -96.5 15.4 -8.0 2.0 -10.2 44 44 A A H <>5S+ 0 0 0 -3,-1.9 4,-0.9 3,-0.2 -1,-0.2 0.876 85.2 40.0 -60.1 -40.8 -4.3 2.8 -9.8 45 45 A G H <>5S+ 0 0 15 -3,-0.5 4,-1.7 -4,-0.3 -2,-0.1 0.989 119.3 43.8 -65.3 -63.1 -4.7 6.0 -11.8 46 46 A E H 45S+ 0 0 108 -4,-0.3 -2,-0.2 1,-0.2 4,-0.1 0.721 128.2 24.9 -57.7 -49.2 -8.0 7.2 -10.5 47 47 A K H ><5S+ 0 0 75 -4,-2.8 3,-2.1 2,-0.1 4,-0.5 0.864 111.4 67.7 -90.2 -31.3 -7.4 6.6 -6.7 48 48 A G H >< - 0 0 0 -48,-2.2 3,-1.9 -2,-0.4 4,-0.2 -0.535 30.4-121.2 -64.8 136.8 1.8 -6.5 -4.0 58 58 A P G > S+ 0 0 39 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.828 111.4 66.6 -56.3 -27.7 5.0 -8.4 -4.9 59 59 A Q G 3 S+ 0 0 80 1,-0.3 3,-0.3 2,-0.1 -49,-0.1 0.813 108.6 36.7 -61.8 -28.5 3.0 -10.4 -7.5 60 60 A I G X S+ 0 0 2 -3,-1.9 3,-1.6 -51,-0.2 -1,-0.3 0.132 82.2 115.5-113.7 27.0 2.5 -7.2 -9.5 61 61 A A G X + 0 0 34 -3,-1.6 3,-1.9 1,-0.3 -1,-0.2 0.829 67.7 65.0 -65.3 -31.3 5.9 -5.7 -8.8 62 62 A Y G 3 S+ 0 0 177 -4,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.735 94.9 61.6 -62.3 -21.0 6.8 -6.0 -12.5 63 63 A M G <> S+ 0 0 41 -3,-1.6 4,-2.6 1,-0.2 5,-0.3 0.501 73.9 97.4 -86.6 -0.3 4.1 -3.4 -13.0 64 64 A L H <> S+ 0 0 56 -3,-1.9 4,-3.1 -4,-0.2 3,-0.3 0.931 82.7 50.3 -52.8 -50.2 6.0 -0.8 -10.9 65 65 A P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.889 114.3 45.6 -54.0 -37.9 7.5 0.8 -14.0 66 66 A E H > S+ 0 0 103 -4,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.828 115.7 43.1 -78.4 -37.6 4.0 1.1 -15.5 67 67 A I H X S+ 0 0 6 -4,-2.6 4,-2.3 -3,-0.3 -1,-0.2 0.837 111.4 56.0 -75.9 -33.8 2.2 2.4 -12.4 68 68 A Q H < S+ 0 0 78 -4,-3.1 -2,-0.2 -5,-0.3 6,-0.2 0.943 107.2 50.7 -58.7 -40.8 5.2 4.8 -11.9 69 69 A R H < S+ 0 0 153 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.833 112.4 45.9 -60.9 -45.0 4.3 5.9 -15.5 70 70 A L H < S+ 0 0 70 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 126.9 28.5 -64.0 -42.9 0.7 6.4 -14.4 71 71 A L >< + 0 0 7 -4,-2.3 3,-1.4 1,-0.1 -1,-0.2 -0.554 68.1 158.3-124.0 71.0 1.6 8.2 -11.2 72 72 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.670 77.4 48.3 -76.2 -8.7 5.0 10.0 -11.8 73 73 A N T 3 S+ 0 0 150 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.281 99.7 76.4-109.9 4.5 4.5 12.5 -9.0 74 74 A K S < S- 0 0 61 -3,-1.4 2,-0.3 -6,-0.2 -21,-0.1 -0.950 87.7-109.5-121.6 134.3 3.4 10.0 -6.2 75 75 A P - 0 0 35 0, 0.0 -21,-2.4 0, 0.0 2,-0.5 -0.538 38.3-172.6 -69.5 117.5 5.8 7.7 -4.3 76 76 A V E +c 54 0A 4 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.928 9.7 168.0-121.0 114.3 5.1 4.1 -5.5 77 77 A E E -c 55 0A 106 -23,-2.4 -21,-2.1 -2,-0.5 2,-0.4 -0.794 30.1-123.0-128.6 154.9 6.8 1.3 -3.7 78 78 A V E -c 56 0A 51 -2,-0.3 2,-0.4 -23,-0.2 -21,-0.2 -0.787 28.5-117.0 -96.2 139.8 6.5 -2.5 -3.6 79 79 A I - 0 0 8 -23,-3.1 -18,-0.1 -2,-0.4 5,-0.0 -0.665 40.5-103.4 -74.4 129.3 5.8 -4.5 -0.3 80 80 A D > - 0 0 83 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.256 21.7-130.0 -57.4 131.0 8.7 -6.8 0.6 81 81 A S H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.903 106.1 47.7 -48.2 -46.9 8.1 -10.4 -0.2 82 82 A L H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 110.9 49.7 -70.4 -43.8 9.2 -11.6 3.3 83 83 A L H >>S+ 0 0 42 2,-0.2 5,-2.1 1,-0.2 4,-0.8 0.842 113.7 47.8 -59.8 -39.0 7.1 -9.0 5.2 84 84 A Y H <5S+ 0 0 43 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.925 112.3 47.8 -68.7 -45.7 4.0 -10.0 3.1 85 85 A G H <5S+ 0 0 67 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.802 118.2 41.8 -62.8 -35.8 4.6 -13.8 3.7 86 86 A K H <5S- 0 0 128 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.626 104.2-137.7 -83.0 -17.0 5.0 -13.1 7.4 87 87 A V T <5 + 0 0 43 -4,-0.8 2,-1.0 -3,-0.3 -3,-0.2 0.932 33.7 175.1 45.4 65.1 2.1 -10.6 7.3 88 88 A D >< - 0 0 58 -5,-2.1 4,-1.8 1,-0.2 -1,-0.2 -0.775 12.7-175.0-102.5 93.5 3.8 -8.0 9.5 89 89 A G H > S+ 0 0 5 -2,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.919 80.4 51.2 -56.5 -43.1 1.5 -5.1 9.6 90 90 A L H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.875 107.3 52.8 -67.2 -43.9 3.9 -2.8 11.6 91 91 A G H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.953 114.2 42.5 -54.7 -48.6 6.9 -3.4 9.3 92 92 A V H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.897 112.6 53.5 -69.8 -39.8 4.8 -2.4 6.2 93 93 A L H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.945 110.3 47.8 -61.2 -44.4 3.2 0.6 8.1 94 94 A K H X S+ 0 0 134 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.894 111.4 50.4 -63.1 -40.1 6.7 1.9 9.0 95 95 A A H X S+ 0 0 50 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 111.4 48.9 -66.3 -38.3 7.8 1.4 5.4 96 96 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.954 114.1 44.2 -65.2 -46.9 4.7 3.3 4.1 97 97 A V H X S+ 0 0 51 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.836 112.3 54.0 -66.2 -39.4 5.3 6.2 6.6 98 98 A A H X S+ 0 0 55 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.902 108.3 49.2 -62.7 -40.9 9.0 6.2 5.8 99 99 A A H < S+ 0 0 14 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.927 108.7 52.4 -68.6 -39.0 8.1 6.5 2.0 100 100 A I H >X S+ 0 0 21 -4,-2.4 4,-2.4 1,-0.2 3,-1.0 0.901 112.9 45.9 -59.1 -48.6 5.8 9.5 2.8 101 101 A K H 3X S+ 0 0 117 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.871 104.6 59.9 -66.9 -27.9 8.6 11.1 4.7 102 102 A K H 3< S+ 0 0 172 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.188 115.3 38.8 -84.4 12.3 11.1 10.3 1.8 103 103 A A H <4 S+ 0 0 64 -3,-1.0 -2,-0.2 -5,-0.1 -1,-0.2 0.538 120.6 39.9-119.0 -50.9 8.8 12.4 -0.3 104 104 A A H < S- 0 0 87 -4,-2.4 2,-0.2 -5,-0.1 -2,-0.2 0.606 132.7 -22.9 -70.6 -24.2 7.8 15.2 2.2 105 105 A A < 0 0 55 -4,-1.9 0, 0.0 -5,-0.2 0, 0.0 -0.824 360.0 360.0-163.3-169.1 11.3 15.6 3.6 106 106 A N 0 0 189 -2,-0.2 -4,-0.0 -4,-0.1 0, 0.0 0.019 360.0 360.0 74.8 360.0 14.6 13.8 4.2