==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 04-JUL-04 1TXE . COMPND 2 MOLECULE: PHOSPHOCARRIER PROTEIN HPR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS CARNOSUS; . AUTHOR A.MOEGLICH,B.KOCH,W.HENGSTENBERG,E.BRUNNER,H.R.KALBITZER, . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 84.1 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 20.5 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 . 16 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 27.3 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 1 0 0 0 0 0 0 0 1 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 0 132 0, 0.0 2,-0.3 0, 0.0 65,-0.2 0.000 360.0 360.0 360.0 139.3 -4.4 -12.0 -7.0 2 2 A E E -A 65 0A 86 63,-1.5 63,-2.1 68,-0.1 2,-0.3 -0.981 360.0-133.3-139.5 151.8 -6.5 -8.9 -6.9 3 3 A Q E -A 64 0A 99 -2,-0.3 2,-0.4 61,-0.2 61,-0.2 -0.793 13.1-171.6-103.7 149.1 -5.9 -5.2 -7.7 4 4 A Q E -A 63 0A 50 59,-1.9 59,-2.9 -2,-0.3 2,-0.7 -0.902 5.8-163.7-138.3 103.7 -6.9 -2.3 -5.7 5 5 A S E -A 62 0A 67 -2,-0.4 2,-0.4 57,-0.3 57,-0.3 -0.849 16.9-165.2 -91.3 120.2 -6.5 1.1 -7.2 6 6 A Y E -A 61 0A 8 55,-3.6 55,-2.4 -2,-0.7 2,-0.7 -0.874 19.5-139.7-110.0 137.8 -6.7 3.7 -4.4 7 7 A T E -A 60 0A 45 -2,-0.4 81,-1.4 53,-0.2 53,-0.2 -0.881 28.9-136.5 -96.6 109.9 -7.2 7.4 -4.6 8 8 A I - 0 0 4 51,-2.2 78,-0.2 -2,-0.7 79,-0.2 -0.282 18.5-169.1 -63.1 152.1 -4.9 8.9 -2.0 9 9 A I + 0 0 85 76,-1.2 2,-0.3 78,-0.1 77,-0.1 0.510 55.7 102.4-116.1 -14.9 -6.2 11.7 0.1 10 10 A D + 0 0 21 75,-1.1 47,-2.2 1,-0.1 -2,-0.1 -0.535 35.5 171.9 -76.4 135.2 -2.9 12.8 1.7 11 11 A E + 0 0 138 45,-0.3 -1,-0.1 -2,-0.3 47,-0.0 0.353 64.8 86.3-116.7 -5.2 -1.3 15.9 0.3 12 12 A T S S- 0 0 117 2,-0.1 3,-0.1 1,-0.0 44,-0.1 0.788 116.0 -90.9 -70.5 -29.9 1.4 16.1 3.0 13 13 A G - 0 0 42 42,-0.1 2,-1.8 1,-0.1 43,-0.2 0.720 57.6 -77.5 123.4 33.3 3.5 13.7 0.9 14 14 A A - 0 0 11 1,-0.1 5,-0.1 71,-0.1 -1,-0.1 -0.398 60.0-132.7 87.9 -53.8 2.7 10.2 2.0 15 15 A H > - 0 0 85 -2,-1.8 4,-1.2 38,-0.1 -1,-0.1 0.857 4.6-129.2 59.6 111.9 4.7 10.2 5.2 16 16 A A H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.757 99.0 69.7 -59.7 -31.8 6.9 7.2 5.6 17 17 A R H >> S+ 0 0 176 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.945 101.3 44.5 -57.0 -56.1 5.8 6.4 9.1 18 18 A P H >> S+ 0 0 14 0, 0.0 4,-1.7 0, 0.0 3,-0.7 0.928 114.1 52.3 -48.8 -45.9 2.2 5.3 8.1 19 19 A A H 3X S+ 0 0 5 -4,-1.2 4,-2.1 1,-0.3 -2,-0.2 0.794 101.9 58.8 -65.4 -27.1 3.8 3.3 5.2 20 20 A T H < S+ 0 0 24 -4,-2.0 3,-0.9 2,-0.2 -2,-0.2 0.972 111.7 42.1 -71.1 -52.7 1.2 -5.3 8.0 26 26 A A H >< S+ 0 0 0 -4,-3.3 3,-1.2 1,-0.2 -2,-0.2 0.803 107.3 65.7 -62.0 -30.6 2.2 -6.7 4.6 27 27 A S H 3< S+ 0 0 53 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.822 99.2 51.4 -62.2 -31.0 5.1 -8.5 6.4 28 28 A K T << S+ 0 0 137 -3,-0.9 2,-0.3 -4,-0.9 -1,-0.2 0.379 92.6 90.1 -96.7 8.1 2.6 -10.7 8.4 29 29 A F S < S- 0 0 27 -3,-1.2 4,-0.1 2,-0.2 41,-0.0 -0.724 71.6-136.7-101.7 150.7 0.5 -11.9 5.5 30 30 A D S S+ 0 0 112 -2,-0.3 -1,-0.1 2,-0.1 40,-0.1 0.890 88.9 77.4 -63.4 -42.4 1.1 -15.1 3.4 31 31 A S S S- 0 0 1 36,-0.1 2,-0.5 38,-0.1 36,-0.3 -0.301 81.0-131.8 -71.9 149.2 0.3 -13.0 0.4 32 32 A D E -B 66 0A 44 34,-3.1 34,-2.9 -2,-0.1 2,-0.5 -0.895 17.6-153.8-102.6 130.4 2.7 -10.6 -1.1 33 33 A I E -B 65 0A 0 -2,-0.5 11,-3.2 32,-0.3 2,-0.5 -0.934 3.3-157.2-108.2 126.0 1.4 -7.3 -1.9 34 34 A Q E -BC 64 43A 36 30,-3.2 30,-2.6 -2,-0.5 2,-0.6 -0.861 7.3-147.1 -98.8 136.3 2.9 -5.2 -4.6 35 35 A L E -BC 63 42A 3 7,-2.8 7,-1.5 -2,-0.5 2,-0.6 -0.939 14.5-170.5-104.0 117.9 2.5 -1.6 -4.6 36 36 A E E +BC 62 41A 67 26,-3.2 26,-2.9 -2,-0.6 2,-0.4 -0.936 16.7 158.6-114.5 106.5 2.3 -0.1 -8.0 37 37 A Y E > S- C 0 40A 54 3,-3.0 3,-1.9 -2,-0.6 17,-0.2 -0.851 70.5 -56.8-131.2 94.6 2.4 3.7 -8.2 38 38 A N T 3 S- 0 0 148 -2,-0.4 3,-0.1 1,-0.3 23,-0.0 0.848 124.6 -16.3 41.3 69.4 3.5 5.0 -11.6 39 39 A G T 3 S+ 0 0 62 1,-0.1 2,-1.0 0, 0.0 -1,-0.3 0.052 118.2 100.1 100.2 -26.7 6.9 3.4 -12.2 40 40 A K E < +C 37 0A 107 -3,-1.9 -3,-3.0 9,-0.0 2,-0.4 -0.821 40.7 159.8 -99.6 99.8 7.2 2.4 -8.6 41 41 A K E +C 36 0A 121 -2,-1.0 2,-0.3 -5,-0.3 -5,-0.2 -0.978 14.7 151.1-116.6 133.2 6.4 -1.1 -8.0 42 42 A V E -C 35 0A 5 -7,-1.5 -7,-2.8 -2,-0.4 2,-0.5 -0.984 55.2 -86.0-156.2 155.1 7.7 -2.8 -4.9 43 43 A N E > -C 34 0A 61 -2,-0.3 3,-2.2 -9,-0.2 7,-0.3 -0.644 43.1-139.1 -62.6 118.2 7.1 -5.4 -2.3 44 44 A L T 3 S+ 0 0 6 -11,-3.2 -18,-0.2 -2,-0.5 -17,-0.1 0.706 100.3 53.8 -64.3 -20.1 4.9 -3.5 0.1 45 45 A K T 3 S+ 0 0 63 -12,-0.3 2,-0.4 -19,-0.2 -1,-0.3 0.412 101.2 75.8 -90.4 3.3 6.7 -5.0 3.2 46 46 A S S <> S- 0 0 46 -3,-2.2 4,-0.7 1,-0.1 5,-0.1 -0.947 76.2-144.3-115.5 136.2 9.9 -3.8 1.8 47 47 A I H > + 0 0 101 -2,-0.4 2,-2.2 1,-0.2 4,-1.5 0.415 69.0 111.4 -81.8 9.4 10.9 -0.2 1.8 48 48 A M H 4 S- 0 0 151 -5,-0.2 -1,-0.2 1,-0.2 -5,-0.1 -0.334 103.5 -4.3 -88.8 60.1 12.6 -0.4 -1.6 49 49 A G H >4 S+ 0 0 7 -2,-2.2 3,-0.6 -7,-0.1 -1,-0.2 -0.234 126.2 72.6 149.5 -45.3 10.1 1.8 -3.3 50 50 A V H >< S+ 0 0 6 -4,-0.7 3,-1.3 -7,-0.3 -2,-0.2 0.842 92.5 56.4 -66.3 -34.7 7.6 2.4 -0.5 51 51 A M T 3< S+ 0 0 120 -4,-1.5 -1,-0.2 1,-0.3 -35,-0.1 0.750 113.7 39.8 -76.7 -16.6 9.8 4.7 1.4 52 52 A S T < S+ 0 0 95 -3,-0.6 2,-0.5 -5,-0.3 -1,-0.3 0.124 80.8 144.4-116.4 17.6 10.2 7.1 -1.5 53 53 A L < - 0 0 8 -3,-1.3 2,-1.2 1,-0.1 -38,-0.1 -0.448 38.2-156.4 -62.9 112.5 6.6 6.8 -2.7 54 54 A G + 0 0 52 -2,-0.5 2,-0.3 -17,-0.2 -1,-0.1 -0.360 31.9 156.1 -92.8 56.5 5.7 10.2 -4.0 55 55 A V + 0 0 1 -2,-1.2 2,-0.3 -42,-0.1 -42,-0.1 -0.629 8.2 161.0 -87.2 138.1 1.9 10.0 -3.5 56 56 A G > - 0 0 28 -2,-0.3 3,-2.3 -43,-0.2 2,-0.5 -0.919 59.3 -63.0-158.0 134.9 -0.2 13.1 -3.2 57 57 A K T 3 S+ 0 0 123 -47,-2.2 -49,-0.1 1,-0.3 -46,-0.1 0.146 132.4 43.5 20.1 -64.3 -4.0 13.7 -3.6 58 58 A D T 3 S+ 0 0 136 -2,-0.5 2,-0.7 -51,-0.1 -1,-0.3 0.603 88.3 114.8 -77.1 -8.6 -4.3 12.9 -7.4 59 59 A A < - 0 0 7 -3,-2.3 -51,-2.2 -52,-0.1 2,-0.7 -0.476 48.9-166.8 -72.1 109.1 -2.1 9.8 -6.9 60 60 A E E -A 7 0A 119 -2,-0.7 2,-0.3 -53,-0.2 -22,-0.3 -0.884 9.2-163.7 -98.4 119.5 -4.0 6.7 -7.6 61 61 A I E -A 6 0A 0 -55,-2.4 -55,-3.6 -2,-0.7 2,-0.5 -0.791 7.9-144.8-106.2 142.9 -2.0 3.7 -6.3 62 62 A T E -AB 5 36A 24 -26,-2.9 -26,-3.2 -2,-0.3 2,-0.4 -0.943 8.8-160.2-114.5 125.9 -2.7 0.2 -7.3 63 63 A I E -AB 4 35A 1 -59,-2.9 -59,-1.9 -2,-0.5 2,-0.5 -0.849 2.4-166.7-100.0 135.3 -2.2 -2.7 -4.8 64 64 A Y E -AB 3 34A 84 -30,-2.6 -30,-3.2 -2,-0.4 2,-0.5 -0.974 4.7-170.1-121.5 114.6 -1.8 -6.2 -6.1 65 65 A A E +AB 2 33A 0 -63,-2.1 -63,-1.5 -2,-0.5 2,-0.4 -0.921 6.9 176.8-107.0 125.1 -2.1 -8.9 -3.5 66 66 A D E + B 0 32A 87 -34,-2.9 -34,-3.1 -2,-0.5 2,-0.3 -0.991 32.5 88.9-129.0 123.1 -1.1 -12.4 -4.4 67 67 A G S > S- 0 0 26 -2,-0.4 3,-0.5 -36,-0.3 4,-0.2 -0.970 87.3 -76.7 178.4-171.9 -1.2 -15.1 -1.8 68 68 A S T 3 S+ 0 0 100 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.613 134.6 35.7 -85.9 -13.4 -3.3 -17.8 -0.2 69 69 A D T 3> S+ 0 0 71 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 -0.213 80.8 129.8-128.8 37.9 -4.9 -15.0 1.8 70 70 A E H <> S+ 0 0 43 -3,-0.5 4,-2.8 2,-0.2 5,-0.1 0.936 72.1 45.4 -67.3 -48.2 -4.9 -12.3 -0.9 71 71 A A H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.852 117.0 48.5 -62.2 -32.8 -8.6 -11.2 -0.8 72 72 A D H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.893 109.5 50.8 -74.8 -39.1 -8.3 -11.1 3.0 73 73 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.918 109.9 52.8 -61.7 -41.3 -5.0 -9.2 2.7 74 74 A I H X S+ 0 0 10 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.926 108.1 48.5 -57.3 -49.5 -7.0 -6.8 0.4 75 75 A Q H X S+ 0 0 128 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.841 117.8 41.0 -67.2 -31.1 -9.8 -6.3 2.9 76 76 A A H X S+ 0 0 27 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.898 112.3 56.5 -77.2 -42.3 -7.3 -5.6 5.7 77 77 A I H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 -2,-0.2 0.887 105.2 50.8 -56.3 -43.3 -5.1 -3.5 3.4 78 78 A T H X S+ 0 0 45 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.920 111.3 49.1 -63.5 -44.7 -8.0 -1.2 2.5 79 79 A D H X S+ 0 0 99 -4,-1.1 4,-2.2 -5,-0.2 -2,-0.2 0.969 116.3 40.6 -59.2 -53.5 -8.7 -0.6 6.2 80 80 A V H X S+ 0 0 31 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.895 113.9 54.1 -67.1 -37.7 -5.1 0.1 7.2 81 81 A L H <>S+ 0 0 2 -4,-2.9 5,-2.4 -5,-0.3 6,-0.8 0.848 110.7 45.5 -65.5 -35.3 -4.5 2.2 4.0 82 82 A S H ><5S+ 0 0 43 -4,-2.2 3,-0.6 3,-0.2 -1,-0.2 0.878 112.9 50.9 -75.6 -34.6 -7.5 4.4 4.8 83 83 A K H 3<5S+ 0 0 157 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 114.0 45.5 -62.5 -39.1 -6.4 4.7 8.4 84 84 A E T 3<5S- 0 0 45 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.449 115.4-119.7 -87.2 -4.0 -3.0 5.7 7.1 85 85 A G T < 5S+ 0 0 15 -3,-0.6 -76,-1.2 2,-0.2 -75,-1.1 0.602 77.9 122.7 79.4 15.3 -4.5 8.1 4.6 86 86 A L S