==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 04-OCT-93 1PTF . COMPND 2 MOLECULE: HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR Z.JIA,W.QUAIL,L.DELBAERE . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 77.0 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 . 18 20.7 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 . 1 1.1 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 . 6 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 0 0 0 1 0 0 1 0 0 0 0 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 1 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 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 0 130 0, 0.0 2,-0.4 0, 0.0 65,-0.2 0.000 360.0 360.0 360.0 136.2 0.4 -15.7 9.0 2 2 A E E -A 65 0A 74 63,-3.1 63,-3.2 2,-0.0 2,-0.4 -0.986 360.0-171.9-122.0 142.0 4.1 -16.6 9.7 3 3 A K E +A 64 0A 143 -2,-0.4 2,-0.3 61,-0.2 61,-0.2 -0.989 6.0 176.0-133.5 139.2 6.3 -14.9 12.4 4 4 A K E -A 63 0A 103 59,-2.4 59,-3.0 -2,-0.4 2,-0.3 -0.993 20.2-139.3-146.6 142.4 10.0 -15.3 13.0 5 5 A E E -A 62 0A 132 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.717 21.7-178.6-100.2 146.2 12.6 -13.8 15.3 6 6 A F E -A 61 0A 26 55,-2.8 55,-2.7 -2,-0.3 2,-0.5 -0.980 23.0-139.7-140.9 152.8 16.2 -12.9 14.2 7 7 A H E -A 60 0A 98 -2,-0.3 2,-0.5 53,-0.2 53,-0.2 -0.973 25.9-135.0-117.6 123.6 19.3 -11.5 15.8 8 8 A I + 0 0 1 51,-3.4 50,-3.3 -2,-0.5 79,-0.3 -0.660 32.1 166.0 -81.0 130.4 21.1 -9.0 13.6 9 9 A V + 0 0 74 77,-2.4 78,-0.2 -2,-0.5 -1,-0.1 0.526 32.9 118.3-122.4 -5.8 24.9 -9.5 13.5 10 10 A A > - 0 0 17 76,-1.1 3,-1.3 1,-0.1 76,-0.1 -0.338 65.2-132.9 -67.3 142.3 26.0 -7.4 10.5 11 11 A E T 3 S+ 0 0 166 1,-0.3 46,-0.3 46,-0.1 -1,-0.1 0.812 108.7 52.0 -63.1 -28.9 28.4 -4.6 11.5 12 12 A T T 3 S- 0 0 75 1,-0.2 -1,-0.3 44,-0.1 -2,-0.1 0.619 97.5-150.5 -81.1 -14.3 26.4 -2.2 9.3 13 13 A G < - 0 0 0 -3,-1.3 2,-1.5 1,-0.2 43,-0.3 -0.325 63.3 -31.6 67.9-157.2 23.0 -3.2 11.0 14 14 A I S S+ 0 0 3 41,-2.7 41,-0.4 36,-0.1 2,-0.3 -0.648 113.0 103.7 -94.4 85.8 20.1 -2.9 8.6 15 15 A H > + 0 0 78 -2,-1.5 4,-1.0 39,-0.1 -3,-0.1 -0.892 62.5 12.7-149.9 168.3 21.6 0.0 6.6 16 16 A A H >> S- 0 0 68 -2,-0.3 4,-2.0 1,-0.2 3,-0.7 -0.123 122.5 -15.0 58.7-153.0 23.2 0.6 3.1 17 17 A R H 3> S+ 0 0 174 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.858 135.3 58.9 -49.0 -40.8 23.2 -2.1 0.5 18 18 A P H 3> S+ 0 0 31 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.909 109.0 46.5 -57.8 -39.7 22.2 -4.8 3.0 19 19 A A H < S+ 0 0 24 -4,-1.9 3,-1.6 2,-0.2 4,-0.2 0.938 111.4 49.3 -66.7 -43.8 13.3 -9.0 -1.7 26 26 A A H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.872 103.5 62.4 -61.6 -40.2 10.3 -8.2 0.4 27 27 A S T 3< S+ 0 0 63 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.633 88.8 70.1 -62.8 -11.8 8.8 -6.1 -2.4 28 28 A K T < S+ 0 0 166 -3,-1.6 -1,-0.3 -4,-0.4 2,-0.3 0.605 90.8 75.3 -83.9 -9.2 8.6 -9.2 -4.6 29 29 A F < - 0 0 31 -3,-1.9 4,-0.1 -4,-0.2 41,-0.0 -0.707 66.9-147.2-106.0 156.6 5.8 -10.7 -2.5 30 30 A N S S+ 0 0 139 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.756 71.4 96.4 -87.4 -28.2 2.0 -9.8 -2.2 31 31 A S S S- 0 0 3 1,-0.1 2,-0.4 36,-0.1 36,-0.3 -0.151 88.9 -99.5 -57.1 157.2 1.7 -10.7 1.5 32 32 A D E -B 66 0A 104 34,-3.0 34,-2.6 12,-0.0 2,-0.5 -0.696 42.8-167.6 -77.0 131.5 1.9 -7.9 4.1 33 33 A I E -B 65 0A 1 -2,-0.4 11,-2.4 32,-0.2 12,-0.5 -0.988 7.3-180.0-125.5 121.0 5.5 -8.0 5.5 34 34 A N E -BC 64 43A 56 30,-2.2 30,-2.3 -2,-0.5 2,-0.5 -0.928 17.2-151.3-123.6 147.9 6.3 -6.1 8.7 35 35 A L E -BC 63 42A 0 7,-2.6 7,-2.5 -2,-0.4 2,-0.4 -0.964 16.4-163.3-113.6 131.5 9.6 -5.7 10.6 36 36 A E E +BC 62 41A 77 26,-3.3 26,-2.4 -2,-0.5 2,-0.4 -0.942 12.2 174.9-125.3 132.7 9.3 -5.0 14.3 37 37 A Y E > S- C 0 40A 36 3,-2.6 3,-2.0 -2,-0.4 24,-0.1 -0.963 72.5 -17.2-138.7 121.7 12.1 -3.7 16.6 38 38 A K T 3 S- 0 0 176 22,-0.5 3,-0.1 -2,-0.4 23,-0.1 0.857 129.3 -49.1 51.5 45.5 11.6 -2.8 20.3 39 39 A G T 3 S+ 0 0 67 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.413 114.9 110.7 79.4 -4.2 7.8 -2.7 19.9 40 40 A K E < -C 37 0A 98 -3,-2.0 -3,-2.6 13,-0.1 2,-0.4 -0.925 50.6-159.1-105.8 137.1 7.7 -0.5 16.8 41 41 A S E +C 36 0A 68 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.881 11.1 178.6-117.2 141.2 6.6 -2.0 13.5 42 42 A V E -C 35 0A 16 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.5 -0.933 39.7 -96.6-133.3 161.4 7.3 -0.8 9.9 43 43 A N E > -C 34 0A 77 -2,-0.3 3,-1.9 -9,-0.2 7,-0.3 -0.638 28.0-148.3 -77.3 124.6 6.4 -2.1 6.4 44 44 A L T 3 S+ 0 0 0 -11,-2.4 -18,-0.2 -2,-0.5 -17,-0.2 0.608 95.4 65.8 -71.5 -10.8 9.5 -4.1 5.2 45 45 A K T 3 S+ 0 0 61 -12,-0.5 2,-0.6 -19,-0.2 -1,-0.3 0.503 88.3 82.0 -87.3 4.6 8.7 -3.0 1.6 46 46 A S <> - 0 0 40 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 -0.906 59.5-166.0-115.6 112.2 9.4 0.6 2.6 47 47 A I H > S+ 0 0 60 -2,-0.6 4,-2.9 1,-0.2 5,-0.2 0.884 94.4 53.3 -61.5 -36.5 13.1 1.7 2.6 48 48 A M H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 108.7 48.2 -64.0 -44.3 12.0 4.8 4.5 49 49 A G H > S+ 0 0 14 2,-0.2 4,-1.1 -6,-0.2 -1,-0.2 0.918 112.5 48.7 -58.3 -47.0 10.3 2.8 7.1 50 50 A V H >X S+ 0 0 1 -4,-2.5 4,-0.7 -7,-0.3 3,-0.6 0.912 112.1 48.2 -61.4 -48.2 13.3 0.5 7.5 51 51 A M H >< S+ 0 0 101 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.904 107.2 57.4 -60.5 -33.5 15.7 3.4 7.8 52 52 A S H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.745 97.3 62.9 -67.9 -25.3 13.5 5.1 10.4 53 53 A L H << S- 0 0 15 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.773 90.9-149.4 -71.1 -31.7 13.7 2.0 12.6 54 54 A G << - 0 0 39 -3,-1.0 2,-0.7 -4,-0.7 -3,-0.1 0.925 18.1-172.5 64.1 56.3 17.5 2.4 13.1 55 55 A V - 0 0 0 -5,-0.5 -41,-2.7 -41,-0.4 -1,-0.2 -0.675 6.1-173.8 -89.3 115.1 18.4 -1.3 13.5 56 56 A G > - 0 0 28 -2,-0.7 3,-1.6 -43,-0.3 -48,-0.2 -0.371 37.4 -64.4-101.0 174.6 22.0 -1.8 14.5 57 57 A Q T 3 S+ 0 0 101 -46,-0.3 -48,-0.2 1,-0.2 -1,-0.2 -0.342 120.8 27.8 -54.2 136.9 24.3 -4.7 15.0 58 58 A G T 3 S+ 0 0 37 -50,-3.3 -1,-0.2 1,-0.3 -49,-0.1 0.345 87.6 142.1 88.8 -1.0 23.1 -7.0 17.9 59 59 A S < - 0 0 10 -3,-1.6 -51,-3.4 -51,-0.2 2,-0.5 -0.407 47.5-137.5 -73.7 145.1 19.4 -6.1 17.6 60 60 A D E +A 7 0A 91 -53,-0.2 -22,-0.5 -2,-0.1 2,-0.3 -0.913 32.6 175.4 -99.0 123.9 16.6 -8.6 18.1 61 61 A V E -A 6 0A 2 -55,-2.7 -55,-2.8 -2,-0.5 2,-0.4 -0.930 22.0-145.5-127.9 159.9 13.9 -8.1 15.4 62 62 A T E -AB 5 36A 22 -26,-2.4 -26,-3.3 -2,-0.3 2,-0.4 -0.962 8.9-159.9-124.2 138.8 10.7 -9.9 14.5 63 63 A I E -AB 4 35A 1 -59,-3.0 -59,-2.4 -2,-0.4 2,-0.4 -0.988 4.6-164.6-117.6 133.1 9.4 -10.3 10.9 64 64 A T E -AB 3 34A 32 -30,-2.3 -30,-2.2 -2,-0.4 2,-0.4 -0.949 2.7-170.1-117.7 136.7 5.7 -11.1 10.2 65 65 A V E +AB 2 33A 0 -63,-3.2 -63,-3.1 -2,-0.4 2,-0.4 -0.998 10.6 172.5-124.8 123.5 4.5 -12.4 6.8 66 66 A D E + B 0 32A 75 -34,-2.6 -34,-3.0 -2,-0.4 2,-0.3 -0.933 32.9 53.2-142.0 113.7 0.7 -12.5 6.2 67 67 A G S > S- 0 0 29 -2,-0.4 3,-1.6 -36,-0.3 4,-0.2 -0.958 91.8 -43.2 160.8-166.3 -1.0 -13.3 2.8 68 68 A A T 3 S+ 0 0 106 1,-0.3 3,-0.2 -2,-0.3 -1,-0.1 0.704 131.9 33.1 -68.5 -25.8 -1.4 -15.5 -0.2 69 69 A D T 3> S+ 0 0 16 1,-0.1 4,-2.2 2,-0.1 -1,-0.3 -0.064 79.4 124.3-122.6 37.2 2.3 -16.2 -0.7 70 70 A E H <> + 0 0 38 -3,-1.6 4,-2.9 1,-0.2 5,-0.3 0.772 66.9 58.0 -71.1 -28.8 3.4 -16.1 2.9 71 71 A A H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.946 115.9 33.7 -66.6 -51.4 5.0 -19.5 2.9 72 72 A E H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.817 117.0 58.4 -72.7 -27.0 7.5 -18.7 0.1 73 73 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.951 109.2 42.5 -69.0 -49.5 7.7 -15.1 1.3 74 74 A M H X S+ 0 0 9 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.919 115.1 51.7 -61.2 -42.9 8.9 -16.1 4.8 75 75 A A H X S+ 0 0 60 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.920 110.1 47.7 -58.4 -44.6 11.3 -18.7 3.2 76 76 A A H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.863 111.1 51.7 -64.7 -39.6 12.8 -16.1 0.8 77 77 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.917 110.1 48.3 -65.7 -44.3 13.3 -13.6 3.7 78 78 A V H X S+ 0 0 34 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.955 113.2 48.9 -60.6 -46.9 15.1 -16.2 5.9 79 79 A E H X S+ 0 0 129 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.901 112.4 47.6 -57.9 -46.2 17.3 -17.1 2.9 80 80 A T H X S+ 0 0 23 -4,-2.4 4,-2.5 2,-0.2 6,-0.3 0.913 108.4 53.1 -64.8 -45.1 18.1 -13.4 2.2 81 81 A L H <>S+ 0 0 2 -4,-2.9 5,-2.0 1,-0.2 6,-1.4 0.874 115.0 42.2 -57.8 -41.7 19.0 -12.6 5.8 82 82 A Q H ><5S+ 0 0 127 -4,-1.9 3,-1.5 -5,-0.2 -2,-0.2 0.957 114.2 50.1 -73.4 -43.4 21.4 -15.5 5.9 83 83 A K H 3<5S+ 0 0 87 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.814 112.5 47.3 -62.0 -34.7 22.9 -14.9 2.4 84 84 A E T 3<5S- 0 0 45 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.501 112.1-120.9 -83.5 -6.1 23.5 -11.2 3.1 85 85 A G T < 5S+ 0 0 40 -3,-1.5 -3,-0.2 -4,-0.2 -76,-0.1 0.701 75.6 128.1 68.8 29.7 25.1 -12.0 6.5 86 86 A L < 0 0 0 -5,-2.0 -77,-2.4 -6,-0.3 -76,-1.1 0.877 360.0 360.0 -84.0 -36.9 22.4 -10.0 8.3 87 87 A A 0 0 42 -6,-1.4 -1,-0.2 -79,-0.3 -2,-0.2 -0.951 360.0 360.0-149.9 360.0 21.3 -12.6 10.8