==== 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 TRANSPORT PROTEIN 13-APR-99 1QFR . COMPND 2 MOLECULE: PHOSPHOCARRIER PROTEIN HPR; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR T.MAURER,R.DOEKER,A.GOERLER,W.HENGSTENBERG,H.R.KALBITZER . 89 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 73.0 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 22.5 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 . 6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.4 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 . 1 0 1 0 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 0 189 0, 0.0 2,-0.4 0, 0.0 65,-0.3 0.000 360.0 360.0 360.0 102.0 -0.4 -11.7 -9.3 2 2 A E E -A 65 0A 127 63,-3.2 63,-2.9 2,-0.0 2,-0.3 -0.998 360.0-154.0-142.0 135.3 -2.5 -8.5 -9.6 3 3 A K E -A 64 0A 125 -2,-0.4 2,-0.4 61,-0.3 61,-0.3 -0.776 2.7-158.6-108.0 152.9 -1.6 -4.9 -8.9 4 4 A K E -A 63 0A 101 59,-4.0 59,-3.7 -2,-0.3 2,-0.1 -0.945 8.8-154.7-136.2 112.1 -3.9 -2.1 -7.9 5 5 A E E +A 62 0A 110 -2,-0.4 57,-0.3 57,-0.3 2,-0.3 -0.388 21.8 160.2 -81.6 161.7 -3.0 1.5 -8.4 6 6 A F E -A 61 0A 12 55,-3.9 55,-2.4 30,-0.3 2,-0.3 -0.931 29.6-121.4-163.8-177.3 -4.4 4.4 -6.3 7 7 A H E -A 60 0A 51 53,-0.3 81,-1.6 81,-0.3 53,-0.3 -0.998 30.8-107.0-144.5 139.1 -3.9 8.0 -5.2 8 8 A I B +D 87 0B 1 51,-5.3 79,-0.4 -2,-0.3 78,-0.2 -0.495 36.7 168.9 -67.2 123.7 -3.6 9.6 -1.8 9 9 A V + 0 0 57 77,-1.2 78,-0.2 -2,-0.3 77,-0.2 0.263 65.3 78.2-117.0 4.9 -6.8 11.5 -1.0 10 10 A A S S- 0 0 25 76,-1.1 76,-0.2 46,-0.2 47,-0.1 0.660 74.1-160.7 -86.0 -19.5 -6.0 12.0 2.6 11 11 A E + 0 0 151 45,-1.0 46,-0.3 75,-0.3 75,-0.1 0.686 59.6 115.4 45.5 17.8 -3.7 14.9 1.7 12 12 A T S S- 0 0 75 44,-0.3 45,-0.2 74,-0.1 -1,-0.1 0.971 89.2-102.6 -77.3 -61.0 -2.4 14.1 5.1 13 13 A G - 0 0 35 43,-0.2 43,-0.3 2,-0.1 6,-0.0 0.437 42.8 -98.6 141.8 23.0 1.1 12.9 4.3 14 14 A I + 0 0 9 40,-0.1 41,-0.2 1,-0.1 2,-0.1 0.882 64.2 176.1 33.5 73.7 0.9 9.2 4.7 15 15 A H >> - 0 0 74 39,-0.1 4,-6.2 4,-0.1 5,-0.7 -0.400 52.8 -76.4 -98.1 177.3 2.4 9.2 8.1 16 16 A A H >5S+ 0 0 68 3,-0.3 4,-1.1 1,-0.2 5,-0.3 0.810 135.2 52.5 -41.0 -35.1 3.0 6.3 10.6 17 17 A R H >5S+ 0 0 198 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 1.000 129.8 12.3 -65.0 -73.7 -0.7 6.7 11.1 18 18 A P H >5S+ 0 0 11 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.796 126.3 63.3 -75.0 -30.5 -2.0 6.5 7.5 19 19 A A H X5S+ 0 0 6 -4,-6.2 4,-1.8 1,-0.2 -3,-0.3 0.954 113.7 32.2 -57.2 -53.9 1.3 5.3 6.3 20 20 A T H XXS+ 0 0 46 -4,-1.1 4,-8.2 -5,-0.7 5,-0.6 0.849 105.6 75.4 -71.7 -36.2 1.1 2.1 8.3 21 21 A L H X5S+ 0 0 23 -4,-1.8 4,-1.3 -6,-0.4 -1,-0.2 0.887 108.8 31.4 -40.0 -52.4 -2.6 2.0 8.0 22 22 A L H X5S+ 0 0 3 -4,-1.7 4,-3.6 -3,-0.2 5,-0.3 0.956 125.0 44.6 -72.2 -53.3 -2.1 0.8 4.4 23 23 A V H X5S+ 0 0 2 -4,-1.8 4,-6.3 1,-0.3 22,-0.3 0.910 112.6 53.3 -56.5 -45.1 1.1 -1.0 5.1 24 24 A Q H <5S+ 0 0 111 -4,-8.2 -1,-0.3 1,-0.2 -2,-0.2 0.862 118.3 36.1 -58.0 -38.0 -0.4 -2.5 8.3 25 25 A T H << S+ 0 0 2 -4,-3.6 3,-0.8 -6,-0.3 2,-0.6 0.833 111.1 55.1 -85.0 -37.5 -1.0 -4.5 3.2 27 27 A S T 3< S+ 0 0 67 -4,-6.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.253 98.3 67.4 -90.5 45.5 1.7 -6.0 5.3 28 28 A K T 3 S+ 0 0 105 -2,-0.6 2,-0.4 -3,-0.5 -1,-0.2 0.077 77.2 100.0-148.6 20.6 -0.8 -8.5 6.8 29 29 A F S < S- 0 0 21 -3,-0.8 4,-0.2 2,-0.3 -3,-0.0 -0.912 70.5-135.4-117.2 142.6 -1.6 -10.6 3.8 30 30 A N S S+ 0 0 155 -2,-0.4 38,-0.3 2,-0.1 2,-0.2 0.448 91.0 76.6 -70.9 1.3 -0.3 -14.1 2.9 31 31 A S S S- 0 0 12 36,-0.2 2,-1.1 -5,-0.1 36,-0.3 -0.498 100.3 -90.8-105.5 176.5 0.0 -12.6 -0.5 32 32 A D E +B 66 0A 97 34,-7.8 34,-0.9 -2,-0.2 2,-0.5 -0.775 56.3 161.8 -93.3 97.1 2.5 -10.1 -2.1 33 33 A I E +B 65 0A 6 -2,-1.1 32,-0.3 -7,-0.3 2,-0.3 -0.977 4.1 153.0-121.7 127.0 1.0 -6.7 -1.5 34 34 A N E -B 64 0A 28 30,-1.3 30,-2.8 -2,-0.5 2,-0.4 -0.828 36.9-111.7-140.6 177.2 3.1 -3.5 -1.7 35 35 A L E -BC 63 42A 5 7,-2.5 7,-3.5 28,-0.3 2,-0.5 -0.925 18.8-160.5-119.1 143.1 2.7 0.1 -2.5 36 36 A E E -BC 62 41A 40 26,-6.3 26,-5.4 -2,-0.4 2,-0.5 -0.970 9.2-178.5-127.8 116.3 4.0 2.0 -5.5 37 37 A Y E > S-BC 61 40A 26 3,-2.3 3,-1.6 -2,-0.5 24,-0.2 -0.964 75.8 -8.8-118.7 124.5 4.4 5.8 -5.4 38 38 A K T 3 S- 0 0 156 22,-0.6 -1,-0.1 -2,-0.5 23,-0.1 0.383 137.4 -49.9 74.3 -5.5 5.7 7.8 -8.4 39 39 A G T 3 S+ 0 0 51 1,-0.3 2,-0.8 23,-0.1 -1,-0.3 0.294 111.5 122.3 122.8 -2.8 6.4 4.4 -9.8 40 40 A K E < -C 37 0A 57 -3,-1.6 -3,-2.3 10,-0.0 2,-0.6 -0.831 41.5-168.7 -95.5 111.2 8.3 2.9 -6.8 41 41 A S E +C 36 0A 54 -2,-0.8 2,-0.3 -5,-0.3 -5,-0.3 -0.899 20.5 149.1-104.9 118.0 6.6 -0.2 -5.6 42 42 A V E -C 35 0A 26 -7,-3.5 -7,-2.5 -2,-0.6 2,-0.8 -0.993 63.7 -73.8-147.4 148.1 7.8 -1.5 -2.3 43 43 A N > - 0 0 84 -2,-0.3 3,-5.5 -9,-0.3 7,-0.2 -0.137 47.2-138.5 -42.8 87.6 6.3 -3.4 0.6 44 44 A L T 3 S+ 0 0 0 -2,-0.8 -21,-0.2 1,-0.4 -1,-0.2 0.725 107.9 64.6 -20.0 -40.8 4.3 -0.5 1.8 45 45 A K T 3 S+ 0 0 94 -22,-0.3 2,-1.6 1,-0.2 -1,-0.4 0.388 75.7 106.1 -70.1 6.0 5.5 -1.8 5.2 46 46 A S <> + 0 0 10 -3,-5.5 4,-4.5 1,-0.2 5,-0.4 -0.572 46.8 176.0 -88.5 73.1 8.9 -0.9 3.8 47 47 A I H > S+ 0 0 71 -2,-1.6 4,-7.0 1,-0.2 5,-0.3 0.910 77.9 53.9 -40.0 -59.8 9.5 2.1 6.0 48 48 A M H > S+ 0 0 132 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 120.0 30.6 -40.1 -67.0 13.0 2.5 4.5 49 49 A G H > S+ 0 0 9 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.950 126.5 44.6 -59.9 -53.0 11.8 2.5 0.9 50 50 A V H >X S+ 0 0 6 -4,-4.5 3,-0.9 -7,-0.2 4,-0.5 0.942 107.5 60.4 -56.6 -51.3 8.4 4.1 1.8 51 51 A M H 3< S+ 0 0 118 -4,-7.0 -1,-0.2 -5,-0.4 -2,-0.2 0.900 106.9 44.4 -40.8 -57.7 10.1 6.6 4.1 52 52 A S H 3< S+ 0 0 99 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.786 129.7 30.9 -59.9 -27.9 12.2 8.0 1.2 53 53 A L H << S+ 0 0 27 -4,-1.3 -2,-0.2 -3,-0.9 -3,-0.2 0.843 79.4 147.1 -92.2 -89.0 8.9 7.9 -0.8 54 54 A G < - 0 0 21 -4,-0.5 2,-0.2 -7,-0.1 -40,-0.1 0.519 31.4-144.5 58.9 145.9 5.9 8.4 1.3 55 55 A V + 0 0 9 -41,-0.2 2,-0.2 4,-0.1 3,-0.1 -0.603 38.7 127.4-128.2-171.7 2.8 10.2 -0.0 56 56 A G > + 0 0 0 -43,-0.3 -45,-1.0 -2,-0.2 3,-0.7 -0.644 48.1 87.2 162.0 -96.4 0.1 12.5 1.2 57 57 A Q T 3 S- 0 0 158 1,-0.3 3,-0.1 -46,-0.3 -1,-0.1 -0.078 130.2 -58.0 -39.1 87.2 -0.7 15.8 -0.6 58 58 A G T 3 S+ 0 0 28 -2,-0.5 -1,-0.3 1,-0.2 -49,-0.1 0.657 94.2 172.3 40.0 15.9 -3.2 14.1 -2.9 59 59 A S < - 0 0 10 -3,-0.7 -51,-5.3 -52,-0.2 2,-0.3 -0.279 24.9-137.1 -55.8 134.0 -0.1 12.1 -3.7 60 60 A D E +A 7 0A 89 -53,-0.3 -22,-0.6 -3,-0.1 -53,-0.3 -0.717 29.5 165.6 -97.2 147.2 -0.9 9.2 -6.0 61 61 A V E -AB 6 37A 3 -55,-2.4 -55,-3.9 -2,-0.3 2,-0.4 -0.858 27.7-121.9-147.2 179.2 0.5 5.8 -5.6 62 62 A T E -AB 5 36A 11 -26,-5.4 -26,-6.3 -57,-0.3 -57,-0.3 -0.998 16.1-155.3-135.6 136.9 0.1 2.2 -6.7 63 63 A I E -AB 4 35A 2 -59,-3.7 -59,-4.0 -2,-0.4 2,-0.3 -0.761 6.8-157.3-109.3 156.0 -0.6 -1.0 -4.7 64 64 A T E -AB 3 34A 24 -30,-2.8 -30,-1.3 -61,-0.3 2,-0.4 -0.984 8.0-174.5-135.3 145.2 0.2 -4.5 -5.6 65 65 A V E +AB 2 33A 2 -63,-2.9 -63,-3.2 -2,-0.3 2,-0.4 -0.969 9.5 166.2-143.5 122.8 -1.2 -7.9 -4.5 66 66 A D E + B 0 32A 35 -34,-0.9 -34,-7.8 -2,-0.4 2,-0.3 -0.993 45.4 29.0-140.8 129.9 0.0 -11.3 -5.4 67 67 A G S S- 0 0 45 -2,-0.4 4,-0.3 -36,-0.3 -36,-0.2 -0.923 106.0 -38.5 128.3-153.1 -0.8 -14.7 -3.9 68 68 A A S > S+ 0 0 86 -2,-0.3 3,-1.2 -38,-0.3 4,-0.4 0.978 137.3 45.0 -74.2 -61.2 -3.8 -16.0 -2.0 69 69 A D T 3> S+ 0 0 30 1,-0.3 4,-3.2 2,-0.2 6,-0.4 0.809 82.4 110.0 -52.0 -31.1 -4.7 -13.0 -0.1 70 70 A E H 3> S+ 0 0 51 1,-0.3 4,-2.1 2,-0.2 5,-0.4 0.647 86.4 36.5 -9.6 -59.8 -4.2 -11.2 -3.3 71 71 A A H <> S+ 0 0 37 -3,-1.2 4,-3.2 -4,-0.3 -1,-0.3 0.998 128.8 32.7 -64.2 -68.0 -7.9 -10.7 -3.4 72 72 A E H > S+ 0 0 94 -4,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.914 119.3 56.9 -54.9 -47.1 -8.5 -10.2 0.3 73 73 A G H >X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 3,-0.5 0.961 116.8 30.4 -47.4 -73.1 -5.1 -8.5 0.6 74 74 A M H 3X S+ 0 0 54 -4,-2.1 4,-4.6 1,-0.2 5,-0.3 0.854 111.7 70.0 -56.4 -37.6 -5.7 -5.7 -1.9 75 75 A A H 3X S+ 0 0 39 -4,-3.2 4,-3.3 -5,-0.4 -1,-0.2 0.921 105.3 39.0 -44.8 -55.4 -9.4 -5.8 -1.1 76 76 A A H S+ 0 0 1 -4,-5.2 6,-5.6 -5,-0.3 5,-0.7 0.896 122.4 23.5 -45.4 -48.3 -7.3 3.4 0.6 82 82 A Q H <5S+ 0 0 65 -4,-1.9 -1,-0.3 4,-0.2 -2,-0.3 0.565 123.2 59.1 -94.1 -13.2 -10.7 4.9 0.1 83 83 A K H <5S+ 0 0 101 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.849 112.4 37.4 -81.8 -38.3 -11.8 3.8 3.6 84 84 A E T <5S- 0 0 77 -4,-5.7 -1,-0.2 -5,-0.1 -2,-0.2 0.194 110.3-120.8 -96.7 13.6 -9.1 5.7 5.3 85 85 A G T 5S+ 0 0 29 -5,-0.3 -3,-0.2 2,-0.2 -4,-0.1 0.690 84.9 118.9 54.3 18.4 -9.4 8.5 2.8 86 86 A L S