==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-SEP-07 2R78 . COMPND 2 MOLECULE: SENSOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACTER SULFURREDUCENS PCA; . AUTHOR R.ZHANG,A.SATHER,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR . 460 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 67.2 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 . 119 25.9 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 . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 4 0 0 4 0 0 4 0 0 0 4 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 . 4 0 4 0 4 1 3 4 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 4 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 5 A G 0 0 61 0, 0.0 295,-0.1 0, 0.0 299,-0.1 0.000 360.0 360.0 360.0 138.1 -11.8 19.5 84.9 2 6 A T + 0 0 18 146,-0.1 2,-1.5 293,-0.1 6,-0.2 0.292 360.0 101.9-122.2 3.2 -9.1 18.0 82.7 3 7 A E + 0 0 129 293,-0.3 2,-0.3 292,-0.2 295,-0.2 -0.466 60.9 96.0 -94.1 65.8 -7.5 21.3 81.4 4 8 A N S > S- 0 0 9 -2,-1.5 4,-1.9 293,-0.1 5,-0.1 -0.975 79.8-117.0-149.2 155.6 -4.4 21.1 83.7 5 9 A L H > S+ 0 0 52 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.732 108.9 57.3 -69.0 -23.9 -0.8 19.9 83.2 6 10 A Y H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.949 108.4 45.6 -75.3 -47.1 -1.0 17.2 85.8 7 11 A F H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.958 116.2 47.6 -54.3 -49.5 -3.9 15.4 84.2 8 12 A Q H X S+ 0 0 8 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.916 111.9 48.4 -63.9 -43.0 -2.3 15.8 80.8 9 13 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.929 111.1 51.9 -60.5 -46.7 1.1 14.5 82.1 10 14 A N H X S+ 0 0 4 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.931 110.1 48.5 -50.7 -51.4 -0.7 11.5 83.7 11 15 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.887 110.2 51.2 -66.2 -37.3 -2.5 10.7 80.5 12 16 A Y H X S+ 0 0 4 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.943 108.2 52.0 -61.4 -48.9 0.7 10.8 78.5 13 17 A R H X S+ 0 0 72 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.922 113.8 44.0 -53.6 -46.8 2.5 8.5 80.9 14 18 A A H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.917 114.9 47.8 -66.4 -45.4 -0.4 6.0 80.6 15 19 A L H X S+ 0 0 6 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.940 113.2 48.4 -60.7 -46.3 -0.6 6.3 76.8 16 20 A F H < S+ 0 0 22 -4,-3.2 22,-0.4 -5,-0.2 -2,-0.2 0.944 116.8 41.7 -61.1 -47.6 3.2 5.9 76.4 17 21 A E H < S+ 0 0 113 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.903 125.4 32.3 -67.7 -44.3 3.4 2.9 78.6 18 22 A H H < S+ 0 0 72 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.548 83.9 120.1 -99.8 -7.7 0.3 1.0 77.4 19 23 A A < - 0 0 14 -4,-2.2 19,-0.3 -5,-0.2 4,-0.1 -0.274 51.7-151.8 -57.9 141.2 -0.0 2.0 73.7 20 24 A I S S+ 0 0 70 2,-0.1 -1,-0.1 18,-0.1 2,-0.1 0.834 80.7 75.2 -79.3 -35.1 0.1 -1.0 71.3 21 25 A D S S- 0 0 12 1,-0.1 17,-0.3 92,-0.1 18,-0.2 -0.392 97.4-102.9 -66.9 151.3 1.6 1.4 68.6 22 26 A G E -A 112 0A 6 90,-2.7 90,-2.4 16,-0.2 2,-0.4 -0.557 38.3-168.4 -73.5 140.5 5.2 2.4 69.0 23 27 A I E +A 111 0A 5 88,-0.2 13,-2.3 -2,-0.2 2,-0.3 -0.999 9.3 172.5-133.2 133.8 5.7 5.9 70.3 24 28 A F E -AB 110 35A 1 86,-2.4 86,-3.4 -2,-0.4 2,-0.4 -0.958 21.0-148.7-140.2 156.9 9.0 7.7 70.2 25 29 A I E +AB 109 34A 0 9,-2.4 8,-3.1 -2,-0.3 9,-1.7 -0.984 19.1 179.0-121.7 136.4 10.4 11.2 71.0 26 30 A X E -AB 108 32A 0 82,-2.4 82,-3.2 -2,-0.4 6,-0.2 -0.927 26.3-116.3-134.1 159.9 13.3 12.7 69.2 27 31 A D > - 0 0 32 4,-2.1 3,-2.0 -2,-0.3 80,-0.1 -0.356 45.1 -90.8 -82.2 175.8 15.1 16.0 69.4 28 32 A A T 3 S+ 0 0 37 1,-0.3 47,-0.1 2,-0.1 79,-0.1 0.692 126.9 56.6 -61.7 -23.4 15.2 18.5 66.5 29 33 A E T 3 S- 0 0 126 2,-0.1 -1,-0.3 46,-0.0 42,-0.1 0.381 120.8-105.1 -89.1 -1.6 18.5 16.9 65.2 30 34 A G S < S+ 0 0 1 -3,-2.0 25,-3.1 1,-0.3 2,-0.5 0.620 70.2 145.0 90.5 13.5 16.9 13.4 65.0 31 35 A H B -E 54 0B 74 23,-0.2 -4,-2.1 1,-0.0 -1,-0.3 -0.730 55.3-116.5 -79.5 126.7 18.5 11.8 68.1 32 36 A Y E +B 26 0A 9 21,-2.0 -6,-0.3 -2,-0.5 3,-0.1 -0.525 36.8 174.4 -65.7 129.8 16.0 9.4 69.8 33 37 A L E + 0 0 45 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.662 63.3 5.6-106.7 -32.5 15.2 10.7 73.3 34 38 A D E -B 25 0A 6 -9,-1.7 -9,-2.4 16,-0.1 -1,-0.4 -0.985 55.6-172.2-155.1 152.9 12.6 8.3 74.4 35 39 A V E -B 24 0A 5 -2,-0.3 -11,-0.2 -11,-0.2 16,-0.1 -0.989 21.9-128.4-146.5 137.7 11.0 5.1 73.2 36 40 A N > - 0 0 1 -13,-2.3 4,-2.0 -2,-0.3 5,-0.2 -0.321 31.2-100.6 -87.8 170.5 8.0 3.2 74.6 37 41 A P H > S+ 0 0 51 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.898 118.2 56.4 -56.3 -42.2 7.7 -0.4 75.5 38 42 A A H > S+ 0 0 26 -22,-0.4 4,-2.6 -19,-0.3 -16,-0.2 0.923 110.0 44.0 -55.0 -46.8 5.9 -1.4 72.3 39 43 A I H > S+ 0 0 5 -18,-0.2 4,-2.4 2,-0.2 5,-0.3 0.898 112.6 51.5 -71.6 -36.0 8.6 0.0 70.0 40 44 A C H X S+ 0 0 20 -4,-2.0 4,-1.8 1,-0.2 5,-0.4 0.921 114.3 44.8 -62.5 -45.1 11.4 -1.5 72.0 41 45 A S H < S+ 0 0 101 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 115.5 46.6 -65.5 -44.9 9.7 -4.9 71.9 42 46 A A H < S+ 0 0 60 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.925 121.2 34.9 -63.6 -46.5 8.8 -4.7 68.1 43 47 A I H < S- 0 0 7 -4,-2.4 46,-2.4 -5,-0.2 47,-0.2 0.722 104.1-125.9 -90.1 -20.4 12.2 -3.5 66.9 44 48 A G < + 0 0 38 -4,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.586 66.1 120.1 89.1 11.6 14.3 -5.5 69.4 45 49 A Y - 0 0 47 -5,-0.4 -1,-0.3 -6,-0.3 -2,-0.2 -0.843 59.4-125.7-100.9 146.0 16.4 -2.7 70.9 46 50 A T > - 0 0 74 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.380 34.3-102.0 -75.1 164.6 16.4 -1.9 74.6 47 51 A R H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.934 124.3 50.8 -54.4 -44.7 15.8 1.7 75.6 48 52 A D H 4 S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.859 112.2 45.6 -66.5 -33.9 19.5 2.3 76.2 49 53 A E H >4 S+ 0 0 60 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.923 113.0 51.4 -68.0 -43.8 20.4 0.9 72.8 50 54 A F H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.3 -18,-0.3 0.883 101.8 59.4 -63.5 -42.0 17.7 2.9 71.1 51 55 A L T 3< S+ 0 0 61 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.520 99.3 59.7 -67.9 -7.2 18.8 6.2 72.7 52 56 A A T < S+ 0 0 80 -3,-1.3 -1,-0.3 -4,-0.2 2,-0.3 0.252 95.8 85.2 -98.0 4.8 22.2 5.8 71.1 53 57 A L < - 0 0 37 -3,-2.1 -21,-2.0 -21,-0.1 2,-0.3 -0.742 64.9-142.8-108.7 157.6 20.6 5.8 67.6 54 58 A D B > -E 31 0B 64 -2,-0.3 3,-2.2 -23,-0.2 4,-0.4 -0.843 37.7 -80.0-112.5 156.3 19.5 8.5 65.2 55 59 A W T 3 S+ 0 0 10 -25,-3.1 -1,-0.1 -2,-0.3 12,-0.1 -0.284 116.3 36.4 -48.2 128.8 16.6 8.9 62.8 56 60 A G T 3 >S+ 0 0 2 11,-0.1 5,-2.7 10,-0.1 6,-0.5 -0.020 89.3 92.6 109.8 -23.9 17.3 6.9 59.7 57 61 A V T X 5S+ 0 0 55 -3,-2.2 3,-1.3 3,-0.2 -2,-0.1 0.958 83.7 51.7 -66.8 -47.8 19.1 3.9 61.2 58 62 A L T 3 5S+ 0 0 13 -4,-0.4 29,-2.5 1,-0.3 -1,-0.2 0.842 120.7 33.5 -58.8 -37.9 16.0 1.7 61.6 59 63 A S T 3 5S- 0 0 10 27,-0.2 -1,-0.3 25,-0.0 -2,-0.2 0.251 108.6-120.1-105.2 8.8 15.0 2.2 58.0 60 64 A R T < 5S+ 0 0 154 -3,-1.3 4,-0.2 -4,-0.4 -3,-0.2 0.901 71.9 132.6 53.5 49.1 18.5 2.4 56.6 61 65 A G < + 0 0 0 -5,-2.7 6,-2.9 2,-0.1 7,-0.3 0.070 35.0 92.6-119.4 20.9 17.9 5.8 55.2 62 66 A V S > S+ 0 0 82 -6,-0.5 3,-2.1 4,-0.2 6,-0.3 0.972 88.9 42.4 -77.4 -63.5 20.9 7.8 56.5 63 67 A D T 3 S+ 0 0 169 1,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.828 112.0 55.9 -52.0 -37.9 23.2 7.3 53.4 64 68 A S T 3 S- 0 0 87 -4,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.589 110.7-120.7 -67.8 -15.2 20.3 8.0 51.0 65 69 A G S <> S+ 0 0 31 -3,-2.1 4,-2.7 -4,-0.2 5,-0.3 0.411 80.5 121.8 80.0 0.5 19.6 11.3 52.6 66 70 A W H > S+ 0 0 34 -5,-0.3 4,-2.8 1,-0.2 5,-0.3 0.926 73.5 50.7 -56.2 -45.4 16.0 10.2 53.4 67 71 A A H > S+ 0 0 10 -6,-2.9 4,-2.6 1,-0.2 5,-0.2 0.944 114.2 42.8 -60.5 -49.5 16.6 10.8 57.1 68 72 A A H > S+ 0 0 70 -7,-0.3 4,-2.0 -6,-0.3 -1,-0.2 0.904 116.7 47.2 -64.1 -43.3 18.0 14.3 56.6 69 73 A A H X S+ 0 0 61 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.930 115.9 43.7 -65.4 -47.1 15.3 15.3 54.0 70 74 A S H X S+ 0 0 13 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.919 112.1 52.8 -66.3 -43.2 12.4 13.9 56.1 71 75 A L H X S+ 0 0 27 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.932 107.8 52.7 -58.4 -44.5 13.7 15.4 59.4 72 76 A A H X S+ 0 0 60 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.898 109.1 48.3 -61.7 -39.8 13.9 18.8 57.6 73 77 A R H <>S+ 0 0 157 -4,-1.8 5,-2.4 2,-0.2 4,-0.3 0.921 112.7 49.6 -65.1 -42.3 10.3 18.6 56.5 74 78 A I H ><5S+ 0 0 3 -4,-2.5 3,-1.8 1,-0.2 28,-0.2 0.952 111.8 45.3 -61.9 -48.8 9.2 17.6 60.0 75 79 A V H 3<5S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.750 106.3 62.2 -69.7 -21.7 11.1 20.5 61.8 76 80 A G T 3<5S- 0 0 70 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.520 127.2-102.0 -74.2 -10.6 9.7 22.9 59.2 77 81 A G T < 5S+ 0 0 49 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.558 79.7 130.3 102.9 10.1 6.2 21.9 60.4 78 82 A E < - 0 0 97 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.864 58.4-123.6 -91.7 125.7 5.0 19.4 57.8 79 83 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 22,-0.2 -0.383 22.6-131.4 -67.0 144.4 3.6 16.3 59.5 80 84 A L E +C 100 0A 21 20,-2.2 20,-1.7 -2,-0.0 2,-0.2 -0.811 32.7 164.0 -94.5 135.1 5.1 13.0 58.3 81 85 A R E +C 99 0A 124 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.782 24.5 136.0-144.9 106.3 3.1 10.0 57.3 82 86 A E E -C 98 0A 73 16,-2.4 16,-3.0 -2,-0.2 2,-0.4 -0.993 49.0-125.5-153.5 136.9 5.1 7.4 55.3 83 87 A E E +C 97 0A 133 -2,-0.3 2,-0.3 14,-0.3 14,-0.2 -0.739 35.2 177.6 -83.1 134.1 5.5 3.7 55.2 84 88 A R E -C 96 0A 48 12,-2.6 12,-2.8 -2,-0.4 2,-0.4 -0.986 32.9-120.2-135.3 144.7 9.1 2.5 55.6 85 89 A T E -C 95 0A 53 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.730 37.5-170.5 -75.6 129.8 10.8 -0.9 55.8 86 90 A V E -C 94 0A 4 8,-2.5 8,-2.9 -2,-0.4 2,-0.4 -0.915 14.4-136.6-122.6 155.1 12.6 -1.1 59.1 87 91 A W E -C 93 0A 45 -29,-2.5 6,-0.2 -2,-0.3 -27,-0.1 -0.924 15.6-134.4-113.6 133.1 15.1 -3.7 60.3 88 92 A T > - 0 0 16 4,-2.8 3,-1.8 -2,-0.4 -44,-0.2 -0.251 36.2 -96.1 -73.6 171.0 15.0 -5.2 63.8 89 93 A R T 3 S+ 0 0 142 -46,-2.4 -45,-0.1 1,-0.3 -1,-0.1 0.899 129.6 50.4 -53.8 -42.2 18.2 -5.6 65.9 90 94 A N T 3 S- 0 0 143 -47,-0.2 -1,-0.3 1,-0.1 -46,-0.1 0.442 124.2-105.1 -79.4 -2.1 18.3 -9.2 64.6 91 95 A G S < S+ 0 0 38 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.529 70.5 143.0 92.7 8.1 18.0 -8.1 61.0 92 96 A D - 0 0 102 -49,-0.1 -4,-2.8 1,-0.0 2,-0.4 -0.501 47.7-121.2 -74.8 151.7 14.4 -9.1 60.3 93 97 A Q E +C 87 0A 131 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.799 30.0 177.6-102.4 136.7 12.3 -6.7 58.1 94 98 A L E -C 86 0A 50 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.6 -0.923 24.8-136.3-127.2 154.7 9.1 -5.0 59.1 95 99 A T E +C 85 0A 80 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.969 32.5 179.0-109.1 122.9 6.8 -2.6 57.3 96 100 A V E -C 84 0A 10 -12,-2.8 -12,-2.6 -2,-0.6 2,-0.7 -0.960 30.7-132.6-125.8 144.3 5.8 0.3 59.5 97 101 A E E -CD 83 113A 46 16,-3.4 16,-2.2 -2,-0.4 2,-0.5 -0.876 30.2-157.5 -89.9 114.6 3.7 3.3 59.0 98 102 A L E -CD 82 112A 12 -16,-3.0 -16,-2.4 -2,-0.7 2,-0.4 -0.831 13.5-178.9 -98.1 130.7 5.6 6.2 60.6 99 103 A S E -CD 81 111A 1 12,-2.7 12,-2.5 -2,-0.5 2,-0.3 -0.949 4.1-177.2-121.8 145.4 3.9 9.4 61.7 100 104 A A E -CD 80 110A 0 -20,-1.7 -20,-2.2 -2,-0.4 2,-0.4 -0.993 4.5-177.6-148.1 139.7 5.8 12.4 63.1 101 105 A H E - D 0 109A 16 8,-2.6 8,-3.1 -2,-0.3 2,-0.2 -0.993 29.8-111.7-141.2 142.0 4.7 15.7 64.5 102 106 A L E - 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