==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 01-APR-97 1JEM . COMPND 2 MOLECULE: HISTIDINE CONTAINING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR B.E.JONES,P.RAJAGOPAL,R.E.KLEVIT . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 72.4 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 . 16 18.4 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 . 8 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 0 0 1 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 . 2 0 0 1 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 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 2 A A 0 0 48 0, 0.0 63,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 114.5 -6.0 -9.2 -8.6 2 3 A Q E -A 63 0A 124 61,-0.3 2,-0.3 30,-0.1 61,-0.2 -0.919 360.0-163.5-179.0 153.5 -4.6 -5.7 -8.3 3 4 A K E -A 62 0A 67 59,-1.3 59,-1.9 -2,-0.3 2,-0.6 -0.986 21.4-127.4-151.9 139.4 -5.8 -2.1 -7.9 4 5 A T E -A 61 0A 68 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.763 28.8-163.6 -89.9 121.2 -4.2 1.4 -8.5 5 6 A F E -A 60 0A 2 55,-1.6 55,-1.9 -2,-0.6 2,-0.5 -0.751 14.9-128.0-103.7 152.3 -4.4 3.6 -5.3 6 7 A K E -A 59 0A 80 -2,-0.3 81,-0.9 53,-0.2 2,-0.7 -0.839 16.0-137.9-100.7 131.2 -4.0 7.4 -5.3 7 8 A V E +AB 58 86A 2 51,-1.8 50,-1.8 -2,-0.5 51,-1.4 -0.763 44.0 143.3 -90.0 114.5 -1.5 8.8 -2.8 8 9 A T + 0 0 84 77,-1.6 78,-0.2 -2,-0.7 48,-0.2 0.110 26.6 128.9-135.4 21.2 -2.9 12.0 -1.1 9 10 A A - 0 0 7 76,-0.7 4,-0.1 46,-0.2 76,-0.1 -0.455 59.7-131.4 -77.9 153.2 -1.6 11.7 2.5 10 11 A D S S+ 0 0 140 1,-0.2 46,-0.4 2,-0.1 -1,-0.1 0.963 109.5 34.5 -69.8 -50.5 0.3 14.7 4.0 11 12 A S S S- 0 0 69 1,-0.2 2,-0.3 44,-0.1 -1,-0.2 0.833 107.5-144.3 -73.5 -30.3 3.2 12.6 5.3 12 13 A G - 0 0 0 43,-0.1 2,-0.4 1,-0.1 43,-0.3 -0.729 45.9 -39.3 101.4-152.6 3.0 10.3 2.3 13 14 A I S S+ 0 0 3 41,-0.4 41,-0.4 -2,-0.3 40,-0.2 -0.430 89.9 133.4-109.5 58.3 3.8 6.6 2.4 14 15 A X S > S- 0 0 129 -2,-0.4 4,-1.4 39,-0.1 5,-0.1 0.259 77.3 -58.2 -85.3-147.0 6.7 6.6 4.8 15 16 A A H > S+ 0 0 27 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.924 130.0 57.9 -67.8 -44.6 7.2 4.2 7.8 16 17 A R H >> S+ 0 0 196 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.951 115.9 34.8 -52.2 -54.2 4.0 5.2 9.7 17 18 A P H 3> S+ 0 0 5 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.783 112.8 61.8 -72.6 -25.6 1.7 4.2 6.7 18 19 A A H 3X S+ 0 0 2 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.764 103.8 50.1 -71.5 -21.4 4.1 1.3 5.8 19 20 A T H S+ 0 0 7 -4,-1.8 4,-1.9 2,-0.2 5,-0.5 0.950 109.1 55.0 -75.0 -50.4 -0.2 -1.7 5.5 22 23 A V H X5S+ 0 0 20 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.836 108.2 53.6 -53.9 -29.1 2.3 -4.4 6.4 23 24 A Q H X5S+ 0 0 119 -4,-1.1 4,-1.0 2,-0.2 -1,-0.2 0.903 111.7 43.6 -73.6 -39.8 -0.1 -5.3 9.2 24 25 A T H >X5S+ 0 0 23 -4,-1.2 3,-1.3 -3,-0.4 4,-0.9 0.998 118.3 40.0 -68.5 -66.6 -3.1 -5.7 6.8 25 26 A A H 3<5S+ 0 0 0 -4,-1.9 3,-0.2 1,-0.3 -1,-0.2 0.776 105.3 72.7 -54.7 -23.3 -1.4 -7.7 4.0 26 27 A S H 3< -C 39 0A 32 3,-1.5 3,-0.7 -2,-0.4 24,-0.1 -0.910 68.5 -1.7-160.2 129.3 6.2 3.4 -7.0 37 38 A N T 3 S- 0 0 111 -2,-0.3 3,-0.1 22,-0.3 23,-0.1 0.841 128.9 -58.3 60.3 30.9 8.9 5.1 -9.1 38 39 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.839 114.5 119.9 69.3 30.5 9.2 1.9 -11.2 39 40 A K E < -C 36 0A 93 -3,-0.7 -3,-1.5 2,-0.0 2,-0.8 -0.958 50.2-157.7-131.4 116.5 10.1 -0.0 -8.0 40 41 A T E +C 35 0A 91 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.799 18.0 179.1 -96.1 107.9 8.0 -3.0 -6.7 41 42 A V E -C 34 0A 28 -7,-1.3 -7,-1.9 -2,-0.8 2,-0.1 -0.815 37.4-100.4-106.7 148.1 8.5 -3.5 -3.0 42 43 A N E -C 33 0A 56 -2,-0.3 3,-0.4 -9,-0.2 -9,-0.2 -0.434 27.6-127.4 -65.2 132.7 6.7 -6.2 -0.9 43 44 A L S S+ 0 0 6 -11,-1.8 2,-1.1 1,-0.3 -1,-0.2 0.823 109.5 66.3 -52.0 -26.8 3.8 -4.7 1.0 44 45 A K S S+ 0 0 70 -12,-0.3 -1,-0.3 1,-0.1 2,-0.2 -0.309 79.6 96.1 -90.9 53.8 5.5 -6.3 4.0 45 46 A S > + 0 0 43 -2,-1.1 4,-1.7 -3,-0.4 5,-0.2 -0.680 37.6 166.5-143.5 84.8 8.5 -4.1 3.8 46 47 A I H > S+ 0 0 54 -2,-0.2 4,-0.9 1,-0.2 -28,-0.1 0.910 87.1 42.9 -67.9 -40.1 8.4 -1.0 6.1 47 48 A M H > S+ 0 0 162 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.789 111.6 55.9 -76.5 -26.1 12.1 -0.3 5.6 48 49 A G H > S+ 0 0 19 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.844 104.2 52.7 -75.0 -32.0 11.9 -1.0 1.9 49 50 A V H >X S+ 0 0 11 -4,-1.7 4,-1.7 1,-0.2 3,-0.6 0.815 98.0 65.9 -73.5 -27.8 9.1 1.6 1.4 50 51 A V H 3< S+ 0 0 59 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.873 93.7 60.1 -62.0 -33.7 11.2 4.3 3.2 51 52 A S H 3< S+ 0 0 90 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.857 103.9 51.1 -63.3 -31.9 13.7 4.1 0.2 52 53 A L H << S- 0 0 18 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.938 87.9-161.0 -71.7 -45.5 10.8 5.2 -2.1 53 54 A G < - 0 0 46 -4,-1.7 -39,-0.1 -40,-0.2 -3,-0.1 0.995 12.5-162.7 62.9 62.3 9.8 8.2 0.0 54 55 A I + 0 0 5 -41,-0.4 -41,-0.4 -5,-0.3 2,-0.2 -0.419 12.0 178.5 -75.7 153.6 6.3 8.6 -1.4 55 56 A A - 0 0 43 -43,-0.3 3,-0.3 -42,-0.1 -46,-0.2 -0.672 37.8 -55.8-138.4-166.1 4.5 12.0 -0.8 56 57 A K S S+ 0 0 133 -46,-0.4 -48,-0.2 -2,-0.2 3,-0.1 -0.570 114.1 36.6 -80.5 142.1 1.3 13.7 -1.7 57 58 A G S S+ 0 0 71 -50,-1.8 2,-0.2 1,-0.3 -1,-0.2 0.892 93.8 111.0 86.1 43.6 0.3 14.0 -5.4 58 59 A A E -A 7 0A 11 -51,-1.4 -51,-1.8 -3,-0.3 2,-0.3 -0.810 56.6-128.2-137.5 179.0 1.7 10.6 -6.5 59 60 A E E -A 6 0A 113 -2,-0.2 2,-0.3 -53,-0.2 -22,-0.3 -0.951 15.1-167.4-132.8 153.5 0.3 7.2 -7.7 60 61 A I E -A 5 0A 0 -55,-1.9 -55,-1.6 -2,-0.3 2,-0.6 -0.998 11.1-147.9-141.2 144.3 0.9 3.6 -6.6 61 62 A T E -A 4 0A 39 -26,-1.3 -26,-0.4 -2,-0.3 2,-0.3 -0.936 15.6-169.9-117.0 116.7 0.1 0.2 -8.2 62 63 A I E -A 3 0A 4 -59,-1.9 -59,-1.3 -2,-0.6 2,-0.3 -0.753 3.9-176.4-102.8 151.0 -0.7 -2.7 -5.9 63 64 A S E -AD 2 33A 38 -30,-1.4 -30,-1.5 -2,-0.3 2,-0.4 -0.869 12.2-155.0-150.4 113.3 -1.1 -6.3 -7.1 64 65 A A + 0 0 1 -63,-0.9 2,-0.4 -2,-0.3 -32,-0.2 -0.742 17.1 174.7 -89.8 130.5 -2.1 -9.3 -5.0 65 66 A S + 0 0 67 -34,-0.5 -34,-1.4 -2,-0.4 2,-0.2 -0.822 42.5 55.0-139.4 99.9 -0.8 -12.7 -6.3 66 67 A G S S- 0 0 50 -2,-0.4 3,-0.3 -36,-0.2 -36,-0.1 -0.839 100.1 -40.5 177.8-138.4 -1.4 -15.9 -4.2 67 68 A A S S+ 0 0 91 -2,-0.2 2,-0.8 1,-0.2 3,-0.4 0.959 134.3 18.9 -81.0 -74.1 -4.4 -17.7 -2.5 68 69 A D S > S+ 0 0 36 1,-0.2 4,-1.5 2,-0.1 -1,-0.2 -0.264 79.9 141.6 -91.8 50.1 -6.6 -14.9 -1.1 69 70 A E H > S+ 0 0 55 -2,-0.8 4,-1.6 -3,-0.3 -1,-0.2 0.849 72.8 51.9 -60.3 -31.4 -5.0 -12.2 -3.3 70 71 A N H > S+ 0 0 90 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.874 106.3 52.6 -74.0 -35.9 -8.5 -10.7 -3.7 71 72 A D H > S+ 0 0 84 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.794 109.6 50.9 -70.2 -26.4 -9.1 -10.5 0.1 72 73 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 5,-0.3 0.918 105.6 51.7 -78.9 -45.0 -5.8 -8.7 0.6 73 74 A L H X S+ 0 0 24 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.922 114.2 43.8 -60.6 -41.8 -6.2 -5.9 -2.0 74 75 A N H X S+ 0 0 68 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.808 108.7 61.0 -74.0 -25.7 -9.6 -4.9 -0.6 75 76 A A H X S+ 0 0 1 -4,-0.8 4,-1.2 1,-0.2 -2,-0.2 0.987 108.9 39.1 -64.0 -57.0 -8.3 -5.2 3.0 76 77 A L H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.827 111.3 63.3 -63.0 -28.4 -5.6 -2.5 2.5 77 78 A E H >X S+ 0 0 50 -4,-1.3 4,-1.5 -5,-0.3 3,-0.6 0.977 102.4 45.7 -61.2 -55.1 -8.2 -0.5 0.5 78 79 A E H 3X S+ 0 0 129 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.814 110.0 57.5 -59.6 -26.6 -10.6 -0.1 3.4 79 80 A T H 3X S+ 0 0 16 -4,-1.2 4,-1.4 1,-0.2 5,-0.5 0.879 104.2 50.7 -72.1 -34.9 -7.6 0.9 5.6 80 81 A M H S+ 0 0 4 -4,-1.7 5,-1.1 -3,-0.6 4,-1.0 0.814 112.9 46.5 -71.5 -28.5 -6.7 3.7 3.2 81 82 A K H <5S+ 0 0 159 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.741 104.5 62.3 -85.2 -23.3 -10.3 5.0 3.4 82 83 A S H <5S+ 0 0 86 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.1 0.965 125.9 12.5 -67.3 -50.6 -10.5 4.7 7.2 83 84 A E H <5S- 0 0 131 -4,-1.4 -2,-0.2 3,-0.1 -3,-0.1 0.856 107.8-112.9 -93.5 -42.5 -7.7 7.3 7.8 84 85 A G T <5 + 0 0 44 -4,-1.0 -3,-0.2 -5,-0.5 -4,-0.1 0.746 63.8 143.4 111.8 43.4 -7.5 8.8 4.3 85 86 A L S