==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND TRANSPORT 31-OCT-01 1KA5 . COMPND 2 MOLECULE: PHOSPHOCARRIER PROTEIN HPR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.MAURER,S.MEIER,W.HENGSTENBERG,H.R.KALBITZER,STRUCTURAL . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 75.0 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 . 21 23.9 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 0 0 0 0 0 0 0 0 1 1 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 . 1 0 0 1 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 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 0 115 0, 0.0 2,-0.5 0, 0.0 65,-0.3 0.000 360.0 360.0 360.0 131.1 -8.3 0.9 12.6 2 2 A E E +A 65 0A 51 63,-3.5 63,-0.7 65,-0.0 2,-0.2 -0.957 360.0 180.0-117.3 128.8 -6.0 -1.9 11.5 3 3 A Q E -A 64 0A 64 -2,-0.5 2,-0.3 61,-0.3 61,-0.3 -0.530 14.5-145.1-114.9-177.6 -2.8 -1.4 9.5 4 4 A N E -A 63 0A 42 59,-2.6 59,-2.7 -2,-0.2 2,-0.2 -0.935 6.7-151.2-155.8 128.2 -0.1 -3.5 8.1 5 5 A S E +A 62 0A 71 -2,-0.3 57,-0.3 57,-0.3 2,-0.3 -0.658 21.2 165.6 -99.7 156.6 3.6 -2.9 7.7 6 6 A Y E -A 61 0A 25 55,-3.6 55,-0.9 -2,-0.2 2,-0.4 -0.911 29.7-114.7-155.5 179.2 5.9 -4.4 5.1 7 7 A V E -A 60 0A 57 53,-0.3 81,-0.6 -2,-0.3 2,-0.4 -0.989 25.1-123.9-130.2 137.0 9.3 -4.1 3.4 8 8 A I B +D 87 0B 1 51,-4.1 50,-2.6 -2,-0.4 79,-0.3 -0.645 33.9 163.0 -81.1 130.6 10.1 -3.2 -0.2 9 9 A I + 0 0 74 77,-4.0 2,-0.6 -2,-0.4 78,-0.2 0.323 47.6 99.6-124.9 -1.5 12.2 -5.8 -2.0 10 10 A D > - 0 0 34 76,-1.2 3,-1.9 1,-0.1 4,-0.1 -0.809 62.1-152.2 -94.1 123.8 11.5 -4.6 -5.5 11 11 A E T 3 S+ 0 0 139 -2,-0.6 46,-0.2 1,-0.3 -1,-0.1 0.559 97.7 65.3 -68.5 -7.4 14.2 -2.5 -7.1 12 12 A T T 3 S- 0 0 70 44,-0.1 -1,-0.3 3,-0.0 43,-0.1 0.595 102.1-139.3 -88.7 -14.2 11.4 -1.0 -9.1 13 13 A G < - 0 0 10 -3,-1.9 43,-0.2 73,-0.1 42,-0.1 0.797 46.6 -54.3 55.4 119.3 9.8 0.5 -5.9 14 14 A I S S- 0 0 4 41,-0.6 41,-0.4 72,-0.2 39,-0.2 0.161 78.2-179.3 -22.2 111.2 6.1 0.3 -5.7 15 15 A H > - 0 0 52 39,-0.1 4,-2.6 37,-0.1 5,-0.2 -0.310 47.2 -79.8-108.9-166.7 5.1 2.0 -8.9 16 16 A A H > S+ 0 0 37 3,-0.2 4,-1.0 1,-0.2 5,-0.1 0.785 124.8 65.5 -67.1 -27.8 1.8 2.8 -10.6 17 17 A R H > S+ 0 0 201 2,-0.2 4,-1.0 3,-0.1 -1,-0.2 0.983 120.0 16.4 -56.4 -65.2 1.7 -0.8 -11.8 18 18 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.4 0.935 118.6 65.9 -75.0 -50.0 1.3 -2.3 -8.3 19 19 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -3,-0.2 0.773 101.9 56.3 -41.9 -28.9 0.3 0.8 -6.5 20 20 A T H X S+ 0 0 59 -4,-1.0 4,-4.2 -5,-0.2 -1,-0.3 0.974 108.8 40.9 -69.1 -57.8 -2.7 0.4 -8.7 21 21 A M H X S+ 0 0 103 -4,-1.0 4,-4.0 -3,-0.3 5,-0.4 0.925 118.7 47.3 -56.0 -49.3 -3.7 -3.0 -7.6 22 22 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.943 117.3 42.4 -57.6 -51.1 -2.9 -2.2 -4.0 23 23 A V H X S+ 0 0 17 -4,-2.3 4,-2.5 -5,-0.4 5,-0.4 0.905 119.4 46.3 -62.0 -43.2 -4.8 1.0 -4.2 24 24 A Q H X S+ 0 0 95 -4,-4.2 4,-4.5 1,-0.2 5,-0.3 0.991 115.0 42.5 -62.1 -64.9 -7.6 -0.7 -6.1 25 25 A T H X S+ 0 0 37 -4,-4.0 4,-0.5 1,-0.2 -1,-0.2 0.724 113.6 60.5 -54.7 -21.7 -7.9 -3.8 -4.0 26 26 A A H >X S+ 0 0 0 -4,-1.4 4,-0.8 -5,-0.4 3,-0.7 0.995 120.6 18.7 -69.0 -66.9 -7.6 -1.3 -1.1 27 27 A S H 3< S+ 0 0 53 -4,-2.5 -2,-0.2 17,-0.4 -3,-0.2 0.882 108.4 81.2 -71.6 -40.4 -10.7 0.8 -1.9 28 28 A K H 3< S+ 0 0 134 -4,-4.5 -1,-0.2 -5,-0.4 -3,-0.2 0.782 98.7 47.3 -33.9 -34.9 -12.2 -1.9 -4.0 29 29 A F H << S- 0 0 61 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.983 107.4-120.6 -72.1 -81.2 -13.2 -3.3 -0.6 30 30 A D S < S+ 0 0 96 -4,-0.8 3,-0.1 1,-0.4 -1,-0.1 -0.192 70.3 109.1 169.6 -60.7 -14.7 -0.4 1.3 31 31 A S S S- 0 0 0 1,-0.2 2,-1.3 34,-0.1 -1,-0.4 0.135 80.8-102.3 -36.3 157.7 -12.8 0.3 4.5 32 32 A D E -B 66 0A 107 34,-1.2 34,-0.5 -3,-0.1 2,-0.2 -0.700 48.6-175.7 -92.9 84.7 -10.7 3.4 4.5 33 33 A I E -B 65 0A 3 -2,-1.3 11,-0.8 32,-0.3 2,-0.3 -0.565 3.8-164.1 -82.5 145.3 -7.2 2.0 3.9 34 34 A Q E -BC 64 43A 53 30,-2.2 30,-5.2 -2,-0.2 2,-0.3 -0.971 13.6-129.7-132.6 146.8 -4.2 4.3 4.0 35 35 A L E -BC 63 42A 1 7,-1.2 7,-4.5 -2,-0.3 2,-0.3 -0.685 24.7-174.5 -95.2 148.5 -0.6 3.9 2.8 36 36 A E E +BC 62 41A 22 26,-4.6 26,-4.4 5,-0.3 5,-0.3 -0.993 11.5 179.2-143.9 147.4 2.4 4.7 5.0 37 37 A Y E > S-BC 61 40A 44 3,-1.0 3,-1.3 -2,-0.3 24,-0.2 -0.835 74.7 -26.5-154.1 110.0 6.1 4.8 4.5 38 38 A N T 3 S- 0 0 94 22,-1.0 3,-0.1 1,-0.3 23,-0.1 0.931 132.7 -40.3 50.3 52.4 8.7 5.7 7.2 39 39 A G T 3 S+ 0 0 52 1,-0.2 2,-1.0 0, 0.0 -1,-0.3 0.512 116.7 125.1 75.2 4.9 6.1 7.8 9.0 40 40 A K E < -C 37 0A 130 -3,-1.3 -3,-1.0 13,-0.1 2,-0.2 -0.783 40.0-178.0-100.4 90.3 4.9 8.9 5.6 41 41 A K E +C 36 0A 108 -2,-1.0 -5,-0.3 -5,-0.3 2,-0.2 -0.610 8.8 157.5 -88.9 149.2 1.2 8.1 5.5 42 42 A V E -C 35 0A 28 -7,-4.5 -7,-1.2 -2,-0.2 2,-0.7 -0.790 48.2 -62.4-150.6-169.0 -0.9 8.8 2.4 43 43 A N E > -C 34 0A 103 -2,-0.2 3,-1.8 -9,-0.2 7,-0.3 -0.813 30.1-158.3 -93.3 116.6 -4.1 7.8 0.7 44 44 A L T 3 S+ 0 0 0 -11,-0.8 -17,-0.4 -2,-0.7 -18,-0.2 0.130 91.6 66.8 -78.2 22.4 -4.0 4.1 -0.4 45 45 A K T 3 S+ 0 0 51 -19,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.255 93.7 65.3-122.3 4.7 -6.7 5.2 -2.8 46 46 A S <> - 0 0 57 -3,-1.8 4,-1.6 1,-0.1 -1,-0.1 -0.992 57.6-160.6-133.7 139.6 -4.4 7.4 -4.9 47 47 A I H > S+ 0 0 40 -2,-0.4 4,-4.7 2,-0.2 5,-0.5 0.940 90.3 66.9 -79.9 -53.4 -1.4 6.5 -7.1 48 48 A M H > S+ 0 0 150 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.760 111.6 40.1 -37.2 -31.5 0.1 10.0 -7.2 49 49 A G H 4 S+ 0 0 22 -6,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.920 115.9 45.7 -85.2 -52.5 0.6 9.4 -3.5 50 50 A V H <>S+ 0 0 0 -4,-1.6 5,-0.5 -7,-0.3 3,-0.2 0.818 119.1 46.5 -60.1 -31.4 1.7 5.8 -3.6 51 51 A M H ><5S+ 0 0 79 -4,-4.7 3,-1.0 1,-0.2 4,-0.3 0.926 112.2 46.2 -76.0 -48.7 3.9 6.7 -6.5 52 52 A S T 3<5S+ 0 0 106 -4,-1.4 -1,-0.2 -5,-0.5 -2,-0.2 0.344 90.4 90.2 -75.8 7.6 5.4 9.8 -4.9 53 53 A L T 3 5S- 0 0 13 -4,-0.2 -1,-0.3 -3,-0.2 3,-0.3 0.329 92.0-136.8 -84.3 6.8 5.8 7.7 -1.8 54 54 A G T < 5 - 0 0 46 -3,-1.0 2,-4.5 1,-0.2 -2,-0.1 0.838 24.1-169.3 36.6 47.1 9.2 6.8 -3.2 55 55 A V < + 0 0 2 -5,-0.5 -41,-0.6 -41,-0.4 -1,-0.2 -0.260 19.3 177.5 -63.9 62.6 8.5 3.3 -2.1 56 56 A G > - 0 0 29 -2,-4.5 3,-1.0 -3,-0.3 -48,-0.2 -0.111 34.3 -84.5 -65.2 167.2 12.2 2.5 -2.8 57 57 A K T 3 S+ 0 0 99 1,-0.2 -48,-0.2 -46,-0.2 -1,-0.1 -0.276 114.6 27.3 -71.0 160.4 13.6 -1.0 -2.2 58 58 A D T 3 S+ 0 0 138 -50,-2.6 2,-0.4 1,-0.3 -1,-0.2 0.550 98.6 126.9 63.7 5.4 14.9 -2.0 1.2 59 59 A A < - 0 0 9 -3,-1.0 -51,-4.1 -4,-0.1 2,-0.6 -0.784 59.5-134.6 -97.8 138.3 12.3 0.5 2.3 60 60 A E E -A 7 0A 137 -2,-0.4 -22,-1.0 -53,-0.3 -53,-0.3 -0.828 27.8-178.7 -96.2 121.3 9.6 -0.4 4.8 61 61 A I E -AB 6 37A 1 -55,-0.9 -55,-3.6 -2,-0.6 2,-0.3 -0.593 7.5-158.8-111.1 173.9 6.1 0.7 4.0 62 62 A T E -AB 5 36A 10 -26,-4.4 -26,-4.6 -57,-0.3 2,-0.4 -0.977 5.8-153.5-151.5 159.3 2.8 0.3 5.8 63 63 A I E -AB 4 35A 0 -59,-2.7 -59,-2.6 -2,-0.3 -28,-0.3 -0.998 9.7-155.1-141.0 134.2 -0.9 0.4 5.0 64 64 A Y E -AB 3 34A 42 -30,-5.2 -30,-2.2 -2,-0.4 2,-0.3 -0.674 6.2-169.8-106.4 161.8 -3.8 1.3 7.3 65 65 A A E +AB 2 33A 0 -63,-0.7 -63,-3.5 -32,-0.3 2,-0.4 -0.930 10.1 175.6-155.0 125.9 -7.5 0.3 7.2 66 66 A D E + B 0 32A 78 -34,-0.5 -34,-1.2 -2,-0.3 2,-0.2 -0.798 50.7 65.7-135.7 90.9 -10.5 1.6 9.2 67 67 A G S S- 0 0 33 -2,-0.4 4,-0.2 -36,-0.3 -2,-0.1 -0.791 96.9 -64.2-168.8-148.9 -13.8 0.0 8.1 68 68 A S S S+ 0 0 121 -2,-0.2 4,-0.1 2,-0.1 3,-0.1 0.618 134.6 34.1 -97.1 -18.7 -15.7 -3.2 8.0 69 69 A D S > S+ 0 0 34 2,-0.1 4,-4.6 1,-0.1 5,-0.4 0.337 83.0 117.6-114.1 -0.2 -13.3 -4.9 5.7 70 70 A E H > S+ 0 0 44 1,-0.3 4,-2.6 2,-0.3 5,-0.2 0.850 84.1 39.1 -30.2 -67.5 -10.2 -3.1 7.1 71 71 A S H > S+ 0 0 50 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.897 118.5 49.4 -53.4 -44.4 -8.7 -6.4 8.2 72 72 A D H > S+ 0 0 105 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.855 110.8 50.4 -63.4 -35.9 -10.0 -8.0 4.9 73 73 A A H X S+ 0 0 0 -4,-4.6 4,-2.3 2,-0.2 -2,-0.2 0.841 109.2 51.2 -69.9 -34.5 -8.4 -5.0 3.1 74 74 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.4 5,-0.2 0.851 108.4 51.6 -69.8 -35.8 -5.2 -5.6 4.9 75 75 A Q H X S+ 0 0 122 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.787 111.4 48.0 -70.2 -28.8 -5.3 -9.3 3.9 76 76 A A H X S+ 0 0 12 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.875 110.2 52.4 -77.8 -40.6 -5.8 -8.2 0.3 77 77 A I H >X S+ 0 0 0 -4,-2.3 4,-3.6 2,-0.2 3,-0.7 0.992 107.8 47.4 -57.1 -70.3 -3.0 -5.7 0.4 78 78 A S H 3X S+ 0 0 32 -4,-1.9 4,-2.8 1,-0.3 -1,-0.2 0.796 114.2 52.7 -41.0 -33.7 -0.3 -8.0 1.7 79 79 A D H 3X S+ 0 0 81 -4,-0.7 4,-3.2 -5,-0.2 -1,-0.3 0.932 111.3 42.9 -69.6 -47.8 -1.6 -10.3 -1.0 80 80 A V H S+ 0 0 0 -4,-3.6 4,-2.5 2,-0.2 5,-1.8 0.952 120.2 33.6 -63.3 -51.7 2.1 -6.7 -2.3 82 82 A S H <5S+ 0 0 68 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.792 110.6 67.0 -73.6 -29.7 3.4 -10.3 -2.2 83 83 A K H <5S+ 0 0 155 -4,-3.2 -1,-0.2 -6,-0.3 -2,-0.2 0.892 113.2 31.2 -56.7 -42.0 1.3 -11.1 -5.3 84 84 A E H <5S- 0 0 72 -4,-1.8 -2,-0.2 -3,-0.1 -1,-0.2 0.891 110.3-121.5 -82.3 -44.8 3.6 -8.7 -7.2 85 85 A G T <5 + 0 0 29 -4,-2.5 -3,-0.2 -5,-0.2 -4,-0.1 0.633 69.3 133.2 107.7 24.3 6.7 -9.4 -5.2 86 86 A L S