==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 09-SEP-92 2HPR . COMPND 2 MOLECULE: HISTIDINE-CONTAINING PHOSPHOCARRIER PROTEIN HPR; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR O.HERZBERG . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4716.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 67.8 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 . 19 21.8 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 . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 27.6 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 1 0 0 0 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 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 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 2 A A 0 0 47 0, 0.0 63,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 165.1 -2.6 28.5 10.5 2 3 A Q E -A 63 0A 131 61,-0.2 2,-0.3 2,-0.0 61,-0.2 -0.988 360.0-166.7-143.5 164.5 -1.0 25.0 10.5 3 4 A K E -A 62 0A 88 59,-2.6 59,-3.0 -2,-0.3 2,-0.4 -0.995 17.7-134.6-148.7 138.0 1.9 23.1 9.1 4 5 A T E -A 61 0A 61 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.830 24.4-179.1 -98.6 145.0 2.7 19.4 8.9 5 6 A F E -A 60 0A 4 55,-3.2 55,-2.7 -2,-0.4 2,-0.4 -0.812 24.9-129.8-131.5 167.6 6.1 17.9 9.9 6 7 A K E -A 59 0A 128 -2,-0.3 81,-2.3 53,-0.3 2,-0.5 -0.971 27.5-127.5-117.0 128.3 7.7 14.4 10.0 7 8 A V B +D 86 0B 2 51,-2.4 50,-3.2 -2,-0.4 79,-0.3 -0.776 33.0 169.0 -83.4 123.9 9.5 13.5 13.3 8 9 A T + 0 0 54 77,-2.1 78,-0.2 -2,-0.5 2,-0.1 0.456 35.6 114.3-116.9 -10.9 13.1 12.4 12.6 9 10 A A > - 0 0 22 76,-1.6 3,-1.6 1,-0.1 76,-0.1 -0.477 65.6-133.9 -66.3 134.5 14.6 12.3 16.1 10 11 A D T 3 S+ 0 0 123 1,-0.3 46,-0.4 -2,-0.1 -1,-0.1 0.818 104.6 43.7 -56.6 -45.8 15.5 8.7 17.1 11 12 A S T 3 S- 0 0 88 1,-0.3 -1,-0.3 44,-0.1 -2,-0.1 0.309 102.4-143.7 -86.8 10.8 14.0 8.9 20.6 12 13 A G < - 0 0 1 -3,-1.6 2,-1.0 1,-0.2 -1,-0.3 -0.218 53.9 -29.8 65.4-165.5 10.9 10.6 19.2 13 14 A I S S+ 0 0 6 41,-2.6 41,-0.4 -3,-0.1 40,-0.3 -0.670 77.0 154.5 -94.3 87.8 9.3 13.3 21.5 14 15 A H > - 0 0 80 -2,-1.0 4,-2.1 39,-0.1 5,-0.2 -0.224 64.4 -66.6 -95.1-165.5 10.0 12.4 25.2 15 16 A A H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.844 126.8 53.2 -55.1 -45.7 10.1 15.0 28.0 16 17 A R H > S+ 0 0 185 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.935 114.1 38.3 -59.0 -60.9 13.2 16.9 26.9 17 18 A P H > S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.842 114.4 57.6 -59.4 -36.8 12.3 17.8 23.3 18 19 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.892 103.9 53.0 -62.6 -34.4 8.7 18.3 24.5 19 20 A T H X S+ 0 0 43 -4,-2.0 4,-2.1 -3,-0.3 -1,-0.2 0.865 106.5 52.2 -67.9 -41.4 10.0 20.9 26.9 20 21 A V H X S+ 0 0 48 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.853 110.6 46.9 -56.5 -48.3 11.8 22.8 24.1 21 22 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.3 0.931 113.8 48.4 -63.3 -40.2 8.6 23.0 22.0 22 23 A V H X S+ 0 0 13 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.836 106.0 56.1 -69.5 -38.8 6.5 24.2 24.9 23 24 A Q H < S+ 0 0 131 -4,-2.1 -1,-0.3 2,-0.2 4,-0.2 0.852 113.3 42.6 -60.5 -37.8 9.0 26.9 26.0 24 25 A T H >< S+ 0 0 22 -4,-1.3 3,-1.7 -3,-0.3 -2,-0.2 0.925 114.6 48.2 -71.6 -47.3 8.8 28.3 22.5 25 26 A A H >< S+ 0 0 0 -4,-2.7 3,-2.1 18,-0.3 -2,-0.2 0.850 102.7 66.3 -57.5 -37.0 5.0 28.0 22.2 26 27 A S T 3< S+ 0 0 78 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.604 88.4 67.2 -57.2 -18.7 4.7 29.6 25.6 27 28 A K T < S+ 0 0 164 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.3 0.478 91.4 77.6 -88.3 0.1 6.1 32.9 24.2 28 29 A Y < - 0 0 37 -3,-2.1 4,-0.1 2,-0.2 41,-0.0 -0.797 68.0-143.0-118.6 155.2 3.0 33.6 22.0 29 30 A D S S+ 0 0 142 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.732 75.6 95.0 -78.1 -32.9 -0.5 34.8 22.6 30 31 A A S S- 0 0 1 36,-0.1 2,-0.4 1,-0.1 36,-0.3 -0.311 87.5-105.7 -53.8 158.0 -2.0 32.5 20.0 31 32 A D E -B 65 0A 118 34,-2.9 34,-2.9 11,-0.0 2,-0.5 -0.640 40.9-158.0 -78.0 134.2 -3.5 29.1 21.0 32 33 A V E -B 64 0A 0 -2,-0.4 11,-3.0 32,-0.2 12,-0.4 -0.968 12.3-177.8-123.3 124.7 -1.0 26.5 19.8 33 34 A N E -BC 63 42A 53 30,-2.5 30,-2.6 -2,-0.5 2,-0.5 -0.914 18.3-152.4-125.4 150.5 -1.9 22.8 19.2 34 35 A L E -BC 62 41A 0 7,-2.3 7,-3.0 -2,-0.3 2,-0.4 -0.996 15.0-164.2-121.2 123.8 -0.1 19.7 18.2 35 36 A E E +BC 61 40A 60 26,-3.0 26,-2.4 -2,-0.5 2,-0.4 -0.911 11.2 172.9-112.5 139.0 -2.1 17.0 16.4 36 37 A Y E > - C 0 39A 54 3,-3.1 3,-2.0 -2,-0.4 24,-0.1 -0.919 68.9 -21.4-148.0 123.8 -0.9 13.4 16.0 37 38 A N T 3 S- 0 0 133 22,-0.5 3,-0.1 -2,-0.4 23,-0.1 0.811 128.3 -45.8 51.5 40.1 -2.9 10.6 14.6 38 39 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.313 115.3 112.1 87.7 -5.1 -6.3 12.3 15.2 39 40 A K E < -C 36 0A 68 -3,-2.0 -3,-3.1 13,-0.0 2,-0.5 -0.921 50.5-159.1-106.5 133.8 -5.4 13.3 18.8 40 41 A T E +C 35 0A 91 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.938 12.7 176.7-114.1 130.6 -5.0 17.1 19.5 41 42 A V E -C 34 0A 23 -7,-3.0 -7,-2.3 -2,-0.5 2,-0.5 -0.813 37.9 -96.7-134.4 161.7 -3.1 18.6 22.5 42 43 A N E > -C 33 0A 79 -2,-0.3 3,-1.1 -9,-0.2 7,-0.3 -0.699 24.7-151.5 -72.2 126.6 -2.2 22.0 23.9 43 44 A L T 3 S+ 0 0 0 -11,-3.0 -18,-0.3 -2,-0.5 -17,-0.2 0.267 93.9 67.3 -79.3 2.5 1.4 22.7 22.8 44 45 A K T 3 S+ 0 0 68 -12,-0.4 2,-0.5 -19,-0.1 -1,-0.3 0.154 89.3 78.3 -97.7 11.4 1.8 24.9 26.0 45 46 A S <> - 0 0 42 -3,-1.1 4,-2.0 1,-0.2 5,-0.2 -0.963 60.1-164.2-124.9 120.2 1.5 21.7 28.1 46 47 A I H > S+ 0 0 66 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.953 94.4 48.1 -69.2 -45.0 4.5 19.3 28.6 47 48 A M H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.899 108.9 56.3 -64.1 -39.9 2.5 16.4 30.0 48 49 A G H 4 S+ 0 0 16 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.958 111.0 42.0 -54.0 -52.8 0.0 16.9 27.1 49 50 A V H >< S+ 0 0 0 -4,-2.0 3,-1.2 -7,-0.3 4,-0.4 0.885 114.6 50.6 -67.1 -39.2 2.8 16.5 24.4 50 51 A V H >< S+ 0 0 41 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.938 97.7 68.7 -66.6 -36.8 4.6 13.5 26.2 51 52 A S T 3< S+ 0 0 88 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 88.3 67.3 -56.0 -21.2 1.3 11.6 26.6 52 53 A L T < S- 0 0 34 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.769 90.0-144.5 -74.8 -25.3 1.2 11.1 22.8 53 54 A G < - 0 0 57 -3,-2.0 2,-0.5 -4,-0.4 -2,-0.1 0.958 26.5-169.5 60.0 46.4 4.3 8.8 22.7 54 55 A I - 0 0 4 -41,-0.4 -41,-2.6 -5,-0.4 -1,-0.2 -0.621 6.1-170.4 -67.2 124.4 5.3 10.4 19.4 55 56 A A > - 0 0 52 -2,-0.5 3,-2.2 -43,-0.2 -48,-0.3 -0.555 31.5 -65.0-119.6 173.2 8.1 8.4 17.8 56 57 A K T 3 S+ 0 0 126 -46,-0.4 -48,-0.2 1,-0.3 -1,-0.2 -0.136 119.7 28.3 -49.0 137.1 10.5 8.6 14.9 57 58 A G T 3 S+ 0 0 46 -50,-3.2 -1,-0.3 1,-0.3 -49,-0.1 0.372 88.6 138.3 91.4 -18.8 8.7 8.6 11.5 58 59 A A < - 0 0 11 -3,-2.2 -51,-2.4 -51,-0.1 2,-0.5 -0.321 48.6-138.0 -59.8 148.5 5.5 10.1 12.9 59 60 A E E +A 6 0A 136 -53,-0.2 -22,-0.5 -3,-0.1 2,-0.3 -0.911 28.8 179.8-105.5 135.8 3.7 12.8 10.9 60 61 A I E -A 5 0A 0 -55,-2.7 -55,-3.2 -2,-0.5 2,-0.5 -0.909 20.8-145.8-134.8 151.9 2.4 15.7 13.1 61 62 A T E -AB 4 35A 14 -26,-2.4 -26,-3.0 -2,-0.3 2,-0.5 -0.979 10.5-164.2-117.1 138.9 0.5 18.9 12.5 62 63 A I E -AB 3 34A 0 -59,-3.0 -59,-2.6 -2,-0.5 2,-0.3 -0.979 11.9-178.7-117.2 131.6 1.2 22.0 14.5 63 64 A S E -AB 2 33A 27 -30,-2.6 -30,-2.5 -2,-0.5 2,-0.4 -0.922 11.6-167.1-123.2 158.8 -1.3 24.8 14.4 64 65 A A E - B 0 32A 1 -63,-2.5 2,-0.4 -2,-0.3 -32,-0.2 -0.998 3.2-169.2-132.3 142.6 -1.5 28.3 16.0 65 66 A S E + B 0 31A 64 -34,-2.9 -34,-2.9 -2,-0.4 2,-0.3 -0.948 45.4 46.1-139.5 117.4 -4.5 30.6 16.2 66 67 A G S > S- 0 0 37 -2,-0.4 3,-1.5 -36,-0.3 4,-0.3 -0.945 97.8 -36.8 158.1-160.5 -4.3 34.2 17.3 67 68 A A T 3 S+ 0 0 102 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.781 134.0 31.2 -70.5 -29.9 -2.5 37.5 16.9 68 69 A D T 3> S+ 0 0 32 1,-0.1 4,-3.1 2,-0.1 -1,-0.3 -0.073 81.4 124.6-118.3 31.6 1.0 36.1 16.5 69 70 A E H <> S+ 0 0 52 -3,-1.5 4,-2.4 2,-0.2 5,-0.2 0.895 72.2 48.8 -62.7 -35.1 0.0 32.9 14.9 70 71 A N H > S+ 0 0 103 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.920 116.4 41.1 -79.9 -30.9 2.2 33.3 11.8 71 72 A D H > S+ 0 0 98 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.837 111.9 58.6 -80.9 -34.7 5.4 34.2 13.8 72 73 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.954 107.8 46.2 -52.9 -44.4 4.4 31.4 16.4 73 74 A L H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.896 111.4 49.9 -66.6 -40.4 4.5 28.9 13.5 74 75 A N H X S+ 0 0 99 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.918 109.6 52.5 -65.1 -49.8 7.8 30.1 12.1 75 76 A A H X S+ 0 0 22 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.942 111.8 45.9 -51.1 -49.8 9.4 29.9 15.6 76 77 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.866 109.7 53.0 -66.1 -38.6 8.3 26.4 16.1 77 78 A E H X S+ 0 0 42 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.901 112.4 45.4 -59.1 -51.5 9.4 25.2 12.7 78 79 A E H X S+ 0 0 49 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.870 111.4 52.2 -59.4 -42.0 12.9 26.7 13.4 79 80 A T H X S+ 0 0 28 -4,-2.6 4,-1.6 -5,-0.2 6,-0.3 0.924 112.3 47.5 -54.0 -50.8 13.0 25.2 16.9 80 81 A M H X>S+ 0 0 0 -4,-2.2 5,-1.7 -5,-0.2 6,-1.4 0.912 115.4 43.7 -61.5 -44.7 12.1 21.8 15.4 81 82 A K H ><5S+ 0 0 92 -4,-2.1 3,-1.1 2,-0.2 -2,-0.2 0.920 111.8 50.5 -74.1 -45.0 14.7 22.1 12.6 82 83 A X H 3<5S+ 0 0 144 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.787 112.4 48.9 -60.0 -39.4 17.6 23.4 14.7 83 84 A E H 3<5S- 0 0 80 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.597 108.5-121.7 -80.6 -4.5 17.1 20.6 17.2 84 85 A G T <<5S+ 0 0 42 -3,-1.1 -76,-0.2 -4,-0.5 -3,-0.2 0.676 76.9 125.3 73.7 13.4 16.9 17.7 14.6 85 86 A L S