==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 19-MAY-99 1QR5 . COMPND 2 MOLECULE: PHOSPHOCARRIER PROTEIN HPR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS CARNOSUS; . AUTHOR H.R.KALBITZER,A.GORLER,H.LI,P.V.DUBOVSKII,W.HENGSTENBERG, . 88 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4710.0 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 . 20 22.7 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 . 11 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 29.5 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 1 0 0 0 0 0 0 0 1 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 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 153 0, 0.0 65,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 22.7 5.3 12.3 8.2 2 2 A E E +A 65 0A 64 63,-1.8 63,-0.6 2,-0.0 2,-0.3 -0.516 360.0 177.7 -95.3 165.3 2.6 9.6 8.7 3 3 A Q E -A 64 0A 117 61,-0.2 61,-0.3 -2,-0.2 2,-0.2 -0.987 14.4-175.2-163.6 156.4 3.0 5.8 8.7 4 4 A Q E -A 63 0A 77 59,-2.1 59,-2.2 -2,-0.3 2,-0.2 -0.814 11.9-152.9-163.1 118.9 1.2 2.5 9.1 5 5 A S E -A 62 0A 66 57,-0.3 57,-0.3 -2,-0.2 2,-0.3 -0.579 22.9-178.8 -89.3 152.3 2.4 -1.1 9.1 6 6 A Y E -A 61 0A 40 55,-1.4 55,-1.6 -2,-0.2 2,-0.2 -0.847 29.2-144.5-143.0-179.9 0.1 -4.0 8.1 7 7 A T E +A 60 0A 106 -2,-0.3 53,-0.2 53,-0.2 52,-0.1 -0.795 30.6 173.5-152.9 96.5 -0.3 -7.8 7.6 8 8 A I E - 0 0 10 51,-1.7 50,-2.2 -2,-0.2 77,-0.1 -0.163 30.4-144.5 -96.3-169.0 -2.4 -8.9 4.7 9 9 A I E +A 57 0A 39 48,-0.3 2,-2.1 49,-0.2 79,-0.4 0.162 49.1 133.0-145.9 15.9 -3.2 -12.2 3.1 10 10 A D - 0 0 0 46,-0.5 3,-0.4 1,-0.2 75,-0.1 -0.510 28.0-179.4 -75.9 81.0 -3.5 -11.4 -0.6 11 11 A E S S+ 0 0 108 -2,-2.1 -1,-0.2 45,-0.3 46,-0.1 0.759 87.3 50.4 -52.4 -22.4 -1.3 -14.3 -1.9 12 12 A T S S- 0 0 120 1,-0.2 -1,-0.3 72,-0.2 2,-0.2 0.847 105.1-151.8 -83.0 -38.0 -2.0 -12.8 -5.3 13 13 A G - 0 0 6 -3,-0.4 2,-2.1 42,-0.2 -1,-0.2 -0.562 50.9 -6.5 100.1-166.2 -1.0 -9.3 -4.2 14 14 A I S S+ 0 0 21 -2,-0.2 37,-0.1 4,-0.1 36,-0.1 -0.460 80.9 176.8 -69.4 81.7 -2.1 -5.8 -5.3 15 15 A H > - 0 0 61 -2,-2.1 4,-2.3 4,-0.1 5,-0.3 0.235 52.1 -63.0 -70.8-162.2 -4.2 -7.0 -8.2 16 16 A A H > S+ 0 0 76 3,-0.2 4,-1.2 2,-0.2 5,-0.2 0.764 133.3 51.6 -59.5 -28.7 -6.3 -4.8 -10.6 17 17 A R H > S+ 0 0 100 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.985 116.9 32.6 -74.9 -62.0 -8.6 -3.7 -7.7 18 18 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.835 119.5 55.6 -64.5 -33.3 -6.0 -2.5 -5.0 19 19 A A H X S+ 0 0 22 -4,-2.3 4,-2.2 2,-0.2 -3,-0.2 0.991 110.1 40.8 -62.9 -63.2 -3.6 -1.3 -7.8 20 20 A T H X S+ 0 0 95 -4,-1.2 4,-1.8 -5,-0.3 5,-0.2 0.821 115.0 57.2 -54.3 -31.8 -6.0 1.0 -9.6 21 21 A M H X S+ 0 0 54 -4,-1.6 4,-3.3 1,-0.2 5,-0.2 0.966 106.6 44.9 -64.3 -54.6 -7.1 2.1 -6.1 22 22 A L H X>S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 5,-0.7 0.850 108.2 61.3 -58.7 -35.7 -3.7 3.2 -4.9 23 23 A V H X5S+ 0 0 84 -4,-2.2 4,-2.4 3,-0.2 -1,-0.2 0.978 116.6 27.9 -54.5 -62.2 -3.1 5.0 -8.3 24 24 A Q H X5S+ 0 0 123 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.941 124.4 50.1 -64.9 -51.5 -6.1 7.4 -7.8 25 25 A T H X5S+ 0 0 11 -4,-3.3 4,-1.7 -5,-0.2 5,-0.2 0.965 119.4 35.4 -52.7 -61.4 -6.0 7.4 -4.0 26 26 A A H X5S+ 0 0 21 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 0.930 118.5 51.7 -60.3 -47.8 -2.2 8.1 -3.7 27 27 A S H < -CD 40 61A 62 3,-2.0 3,-1.7 24,-0.3 24,-0.2 -0.860 39.8 -91.7-133.2 165.1 8.2 -4.8 3.3 38 38 A N T 3 S+ 0 0 106 22,-1.3 23,-0.1 1,-0.3 3,-0.0 0.682 130.8 15.8 -53.2 -14.7 9.4 -7.2 6.1 39 39 A G T 3 S+ 0 0 51 21,-0.2 -1,-0.3 14,-0.1 2,-0.3 -0.172 125.6 46.7-154.3 49.3 12.7 -7.0 4.2 40 40 A K E < -C 37 0A 94 -3,-1.7 -3,-2.0 2,-0.0 2,-0.2 -0.971 55.5-144.4-174.3 172.5 12.6 -4.1 1.8 41 41 A K E +C 36 0A 114 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.764 38.3 118.0-160.3 109.7 11.7 -0.4 1.4 42 42 A V E -C 35 0A 48 -7,-1.2 -7,-0.8 -2,-0.2 2,-0.3 -0.900 63.4 -70.4-155.0-178.2 10.2 1.4 -1.6 43 43 A N E -C 34 0A 28 -9,-0.3 2,-3.5 -2,-0.3 3,-0.3 -0.683 45.2-117.9 -83.8 136.9 7.2 3.4 -2.7 44 44 A L + 0 0 4 -11,-1.5 -1,-0.1 -2,-0.3 -10,-0.1 -0.249 57.8 151.7 -68.8 58.1 3.9 1.4 -3.0 45 45 A K - 0 0 122 -2,-3.5 2,-3.0 1,-0.2 -1,-0.2 0.647 37.3-155.7 -65.8 -14.9 3.9 2.3 -6.8 46 46 A S S S+ 0 0 8 -3,-0.3 5,-0.3 1,-0.2 -1,-0.2 -0.172 78.9 85.5 69.3 -49.0 2.0 -1.0 -7.5 47 47 A I S S- 0 0 129 -2,-3.0 -1,-0.2 1,-0.1 -3,-0.1 0.712 128.5 -38.0 -52.8 -26.3 3.4 -1.0 -11.0 48 48 A M S > S+ 0 0 115 3,-0.0 4,-3.3 0, 0.0 5,-0.2 0.232 126.4 80.7-170.8 -39.5 6.5 -2.7 -9.7 49 49 A G H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.932 105.0 37.9 -49.9 -52.9 7.5 -1.4 -6.3 50 50 A V H > S+ 0 0 5 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.865 114.7 57.0 -67.1 -35.9 4.9 -3.6 -4.5 51 51 A M H 4 S+ 0 0 124 -5,-0.3 -2,-0.2 2,-0.2 3,-0.2 0.930 106.1 49.2 -59.9 -48.0 5.6 -6.4 -6.9 52 52 A S H < S+ 0 0 56 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.942 113.7 44.6 -57.7 -51.5 9.3 -6.5 -6.0 53 53 A L H < S- 0 0 2 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.713 110.7-133.3 -67.3 -19.2 8.6 -6.5 -2.3 54 54 A G < - 0 0 28 -4,-1.4 2,-0.6 -3,-0.2 -3,-0.2 0.902 14.2-151.0 65.0 102.4 6.0 -9.2 -2.9 55 55 A V + 0 0 7 -5,-0.2 -42,-0.2 -43,-0.1 -1,-0.2 -0.421 43.0 145.2-100.8 56.8 2.7 -8.5 -1.1 56 56 A G > - 0 0 24 -2,-0.6 3,-1.5 1,-0.2 -46,-0.5 0.174 60.2 -45.5 -75.4-160.5 1.6 -12.2 -0.8 57 57 A K E 3 S+A 9 0A 86 -48,-0.4 -48,-0.3 1,-0.3 -1,-0.2 -0.527 132.2 14.6 -74.0 134.9 -0.3 -13.8 2.1 58 58 A D E 3 S+ 0 0 108 -50,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.568 89.6 167.4 76.9 9.6 1.0 -12.8 5.5 59 59 A A E < - 0 0 3 -3,-1.5 -51,-1.7 -4,-0.1 2,-0.4 -0.408 24.0-150.6 -61.2 119.6 2.9 -9.9 3.8 60 60 A E E +A 7 0A 72 -2,-0.3 -22,-1.3 -53,-0.2 2,-0.3 -0.769 23.2 170.6 -95.4 135.8 4.2 -7.5 6.4 61 61 A I E -AD 6 37A 0 -55,-1.6 -55,-1.4 -2,-0.4 2,-0.3 -0.862 29.0-151.2-138.7 172.9 4.5 -3.8 5.3 62 62 A T E -AD 5 36A 25 -26,-0.9 -26,-2.6 -2,-0.3 -57,-0.3 -0.830 18.7-164.7-151.7 102.5 5.2 -0.3 6.6 63 63 A I E -A 4 0A 1 -59,-2.2 -59,-2.1 -2,-0.3 2,-0.3 -0.650 5.9-175.0 -94.0 149.1 3.8 2.7 4.7 64 64 A Y E -A 3 0A 55 -30,-0.3 -30,-3.0 -61,-0.3 2,-0.5 -0.891 9.7-158.2-146.8 114.2 4.8 6.3 5.1 65 65 A A E +AB 2 33A 0 -63,-0.6 -63,-1.8 -2,-0.3 2,-0.3 -0.797 17.1 169.4 -95.4 126.4 3.2 9.4 3.4 66 66 A D E + B 0 32A 70 -34,-1.8 -34,-0.8 -2,-0.5 3,-0.1 -0.779 46.9 65.0-139.9 92.5 5.3 12.5 3.1 67 67 A G S S- 0 0 49 -2,-0.3 -37,-0.1 -36,-0.2 -2,-0.0 0.006 104.6 -52.6-163.0 -80.0 4.0 15.3 1.0 68 68 A S S S+ 0 0 66 -39,-0.1 2,-1.1 0, 0.0 3,-0.4 0.341 128.0 36.8-143.5 -68.7 0.8 17.3 1.8 69 69 A D S > S+ 0 0 72 -40,-0.7 4,-1.6 1,-0.2 -40,-0.1 -0.342 74.8 138.1 -89.9 51.5 -2.2 15.0 2.5 70 70 A E H > S+ 0 0 39 -2,-1.1 4,-0.9 2,-0.2 -5,-0.3 0.719 70.2 44.5 -69.9 -23.8 0.0 12.5 4.2 71 71 A A H > S+ 0 0 39 -3,-0.4 4,-1.2 2,-0.2 3,-0.3 0.933 111.7 47.7 -86.8 -53.3 -2.5 11.9 7.0 72 72 A D H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.869 108.2 61.9 -53.1 -36.7 -5.8 11.6 5.0 73 73 A A H X S+ 0 0 0 -4,-1.6 4,-4.0 1,-0.2 5,-0.3 0.942 94.8 58.3 -53.9 -55.0 -3.8 9.3 2.8 74 74 A I H X S+ 0 0 14 -4,-0.9 4,-2.1 -3,-0.3 -1,-0.2 0.881 108.8 46.1 -43.3 -51.5 -3.2 6.8 5.6 75 75 A Q H >X S+ 0 0 104 -4,-1.2 4,-1.7 2,-0.2 3,-0.6 0.988 120.9 34.0 -57.6 -68.9 -7.0 6.3 6.1 76 76 A A H 3X S+ 0 0 26 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.836 115.7 59.9 -58.0 -33.2 -8.1 6.0 2.4 77 77 A I H 3X S+ 0 0 1 -4,-4.0 4,-2.9 -5,-0.3 5,-0.3 0.891 102.0 53.7 -62.9 -38.4 -4.8 4.2 1.7 78 78 A T H < S+ 0 0 1 -4,-1.6 3,-1.1 2,-0.2 4,-0.5 0.991 118.9 34.9 -65.6 -63.5 -7.1 0.3 -0.6 81 81 A L H >< S+ 0 0 2 -4,-2.9 3,-1.1 1,-0.3 4,-0.5 0.810 112.6 64.3 -62.0 -28.0 -4.4 -2.0 0.9 82 82 A S H >< S+ 0 0 67 -4,-4.8 3,-1.4 -5,-0.3 4,-0.3 0.821 88.5 68.1 -63.5 -32.0 -7.2 -3.4 3.1 83 83 A K G X< S+ 0 0 69 -3,-1.1 3,-1.5 -4,-1.1 -1,-0.3 0.797 87.6 67.8 -58.5 -28.4 -8.9 -4.7 -0.0 84 84 A E G X S+ 0 0 0 -3,-1.1 3,-1.1 -4,-0.5 4,-0.4 0.845 93.5 57.1 -60.3 -34.8 -6.0 -7.2 -0.4 85 85 A G G < S+ 0 0 34 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.596 88.6 76.6 -73.1 -10.5 -7.2 -9.0 2.7 86 86 A L G < S+ 0 0 85 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.318 90.4 62.5 -81.9 9.3 -10.6 -9.5 1.0 87 87 A T < 0 0 48 -3,-1.1 -2,-0.1 1,-0.2 -77,-0.1 0.764 360.0 360.0 -96.9 -96.2 -9.0 -12.3 -1.1 88 88 A E 0 0 136 -79,-0.4 -1,-0.2 -4,-0.4 -2,-0.1 -0.481 360.0 360.0 -76.2 360.0 -7.6 -15.4 0.7