==== 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 TRANSFERASE 17-JAN-03 1NPB . COMPND 2 MOLECULE: FOSFOMYCIN-RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR S.PAKHOMOVA,C.L.RIFE,R.N.ARMSTRONG,M.E.NEWCOMER . 830 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 207 24.9 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 . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 . 1 0.1 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 . 91 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.9 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 0 0 6 8 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 6 1 5 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 12 0 1 13 10 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 0 0 0 0 6 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 72 0, 0.0 2,-0.5 0, 0.0 213,-0.4 0.000 360.0 360.0 360.0 106.8 21.1 89.3 -0.7 2 2 A L - 0 0 15 165,-0.7 182,-0.3 1,-0.1 211,-0.2 -0.793 360.0-154.6 -79.2 133.6 24.1 87.2 -1.3 3 3 A Q - 0 0 98 209,-3.7 2,-0.3 -2,-0.5 182,-0.2 0.815 56.5 -43.8 -84.9 -31.5 23.2 85.4 -4.5 4 4 A S E S-A 212 0A 43 208,-0.6 208,-2.9 180,-0.2 2,-0.4 -0.958 76.8 -58.2-178.2 172.7 25.3 82.2 -4.1 5 5 A L E -A 211 0A 20 178,-0.4 206,-0.3 -2,-0.3 41,-0.2 -0.628 44.2-167.0 -66.0 126.5 28.7 81.0 -3.1 6 6 A N E - 0 0 14 204,-3.5 40,-0.6 -2,-0.4 2,-0.3 0.923 60.0 -27.6 -83.2 -50.8 31.1 82.8 -5.4 7 7 A H E -Ab 210 46A 6 203,-1.2 203,-2.2 38,-0.1 2,-0.5 -0.984 47.4-130.2-160.3 157.0 34.2 80.7 -4.7 8 8 A L E -Ab 209 47A 2 38,-2.2 40,-3.4 -2,-0.3 2,-0.5 -0.941 23.5-164.6-107.1 121.5 36.0 78.5 -2.1 9 9 A T E -Ab 208 48A 3 199,-2.3 199,-1.5 -2,-0.5 2,-0.5 -0.932 2.8-167.1-107.3 129.7 39.6 79.4 -1.4 10 10 A L E - b 0 49A 0 38,-2.7 40,-2.7 -2,-0.5 2,-0.3 -0.956 19.6-130.4-115.2 128.5 41.8 76.9 0.4 11 11 A A E - b 0 50A 0 -2,-0.5 2,-0.3 38,-0.2 40,-0.2 -0.598 32.9-172.6 -70.4 129.8 45.2 77.7 1.8 12 12 A V E - b 0 51A 0 38,-2.5 40,-2.5 -2,-0.3 43,-0.3 -0.888 28.4-155.0-127.2 159.5 47.8 75.1 0.7 13 13 A S S S+ 0 0 39 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.701 90.7 31.1 -99.7 -26.5 51.4 74.4 1.6 14 14 A D > - 0 0 61 1,-0.1 4,-2.4 2,-0.0 -1,-0.3 -0.843 64.5-167.9-143.6 93.2 52.5 72.6 -1.6 15 15 A L H > S+ 0 0 14 -2,-0.4 4,-2.8 1,-0.2 5,-0.3 0.864 87.0 53.4 -56.4 -43.3 50.7 73.7 -4.7 16 16 A Q H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.966 111.7 44.9 -58.0 -52.3 51.9 70.8 -6.8 17 17 A K H > S+ 0 0 143 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.899 115.1 49.2 -56.4 -43.5 50.7 68.2 -4.3 18 18 A S H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.895 110.4 48.7 -67.4 -40.9 47.4 70.0 -3.9 19 19 A V H X>S+ 0 0 8 -4,-2.8 4,-2.9 1,-0.2 5,-0.8 0.934 110.3 52.0 -66.1 -44.1 46.7 70.3 -7.6 20 20 A T H X>S+ 0 0 72 -4,-2.6 5,-1.7 -5,-0.3 4,-1.6 0.932 114.4 43.9 -53.9 -44.4 47.5 66.7 -8.1 21 21 A F H <>S+ 0 0 21 -4,-2.0 5,-2.7 3,-0.2 6,-0.3 0.952 120.6 37.6 -67.8 -50.3 45.0 65.8 -5.4 22 22 A W H <5S+ 0 0 0 -4,-2.9 6,-2.5 3,-0.2 -2,-0.2 0.860 128.4 32.0 -74.0 -39.8 42.2 68.1 -6.4 23 23 A H H <5S+ 0 0 60 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.912 130.4 27.4 -84.6 -49.6 42.6 67.7 -10.1 24 24 A E T < -C 37 0A 23 3,-2.7 3,-0.7 -2,-0.3 240,-0.2 -0.740 54.2 -75.7-136.9-169.5 50.3 80.1 -11.6 35 35 A N T 3 S+ 0 0 109 238,-2.8 -20,-0.1 -2,-0.2 239,-0.1 0.836 127.2 23.3 -61.4 -32.9 53.3 80.1 -9.2 36 36 A T T 3 S+ 0 0 72 237,-0.3 15,-2.2 -21,-0.1 2,-0.3 0.043 124.7 12.4-127.5 24.6 51.2 80.5 -6.1 37 37 A G E < -CE 34 50A 0 -3,-0.7 -3,-2.7 13,-0.2 2,-0.3 -0.987 51.2-142.4-176.4 177.5 47.7 79.2 -6.9 38 38 A A E -CE 33 49A 0 11,-2.0 11,-2.2 -2,-0.3 2,-0.5 -0.983 13.1-139.6-150.0 151.8 45.3 77.4 -9.2 39 39 A Y E +CE 32 48A 5 -7,-2.7 -8,-2.9 -2,-0.3 -7,-1.5 -0.976 30.1 165.9-116.7 127.6 41.7 77.8 -10.3 40 40 A L E -CE 30 47A 0 7,-3.2 7,-3.3 -2,-0.5 2,-0.4 -0.893 22.7-137.6-132.4 162.4 39.5 74.7 -10.5 41 41 A T E -CE 29 46A 21 -12,-2.3 -12,-1.9 -2,-0.3 2,-0.4 -0.968 11.4-170.4-126.2 149.4 35.8 73.9 -10.9 42 42 A C E > S- E 0 45A 2 3,-2.0 3,-2.4 -2,-0.4 104,-0.4 -0.950 76.3 -56.9-129.3 102.0 33.6 71.4 -9.3 43 43 A G T 3 S- 0 0 50 -2,-0.4 102,-0.2 100,-0.3 -14,-0.1 -0.411 125.1 -14.5 51.3-128.1 30.3 71.7 -11.3 44 44 A D T 3 S+ 0 0 168 100,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.502 117.0 109.4 -72.2 -8.9 29.3 75.5 -11.0 45 45 A L E < - E 0 42A 14 -3,-2.4 -3,-2.0 -38,-0.0 2,-0.5 -0.635 59.1-151.2 -83.1 118.3 31.8 75.9 -8.1 46 46 A W E -bE 7 41A 7 -2,-0.6 -38,-2.2 -40,-0.6 2,-0.4 -0.726 18.0-171.5 -80.0 120.8 35.0 77.9 -8.5 47 47 A V E -bE 8 40A 0 -7,-3.3 -7,-3.2 -2,-0.5 2,-0.5 -0.952 4.1-163.1-116.7 132.6 37.6 76.5 -6.2 48 48 A C E -bE 9 39A 8 -40,-3.4 -38,-2.7 -2,-0.4 2,-0.6 -0.977 8.1-156.9-118.9 127.7 40.8 78.3 -5.7 49 49 A L E -bE 10 38A 0 -11,-2.2 -11,-2.0 -2,-0.5 2,-0.5 -0.921 19.8-170.6 -96.6 120.6 44.0 76.7 -4.2 50 50 A S E -bE 11 37A 19 -40,-2.7 -38,-2.5 -2,-0.6 -13,-0.2 -0.955 21.5-127.6-123.5 120.0 46.1 79.4 -2.9 51 51 A Y E -b 12 0A 102 -15,-2.2 2,-0.4 -2,-0.5 -38,-0.2 -0.424 30.0-175.5 -63.8 132.1 49.7 79.0 -1.6 52 52 A D > - 0 0 33 -40,-2.5 3,-2.5 -2,-0.1 153,-0.0 -0.947 27.5-148.6-138.1 114.5 50.1 80.4 1.9 53 53 A E T 3 S+ 0 0 157 -2,-0.4 -1,-0.1 1,-0.3 -40,-0.0 0.696 100.7 57.2 -43.1 -28.9 53.4 80.5 3.7 54 54 A A T 3 S+ 0 0 72 -42,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.507 83.4 103.5 -87.9 -9.0 51.5 80.1 7.0 55 55 A R < + 0 0 21 -3,-2.5 2,-0.3 -43,-0.3 -3,-0.1 -0.663 39.5 162.2 -85.5 126.3 49.8 76.8 6.0 56 56 A Q - 0 0 136 -2,-0.5 2,-0.3 52,-0.1 -2,-0.0 -0.771 54.2 -73.4-120.7 172.8 51.1 73.6 7.5 57 57 A Y - 0 0 105 -2,-0.3 52,-0.2 52,-0.1 51,-0.1 -0.555 47.7-150.9 -64.5 131.3 49.3 70.2 7.7 58 58 A V - 0 0 39 50,-2.4 5,-0.1 -2,-0.3 -1,-0.0 -0.902 12.9-130.5-109.9 106.3 46.6 70.5 10.3 59 59 A P >> - 0 0 25 0, 0.0 3,-2.4 0, 0.0 4,-0.6 -0.240 23.5-117.8 -51.1 141.1 45.8 67.1 12.1 60 60 A P G >4 S+ 0 0 20 0, 0.0 3,-0.6 0, 0.0 32,-0.0 0.762 115.1 57.6 -59.0 -25.8 42.1 66.5 12.1 61 61 A Q G 34 S+ 0 0 157 1,-0.2 31,-0.0 0, 0.0 -3,-0.0 0.637 104.0 53.5 -81.2 -7.6 42.1 66.5 15.9 62 62 A E G <4 S+ 0 0 144 -3,-2.4 2,-0.3 2,-0.1 -1,-0.2 0.495 103.0 63.5 -97.1 -10.0 43.5 70.1 15.9 63 63 A S S << S- 0 0 41 -4,-0.6 133,-0.0 -3,-0.6 2,-0.0 -0.807 82.1-121.5-115.1 159.2 40.9 71.6 13.6 64 64 A D - 0 0 28 -2,-0.3 -1,-0.1 131,-0.1 -2,-0.1 -0.085 44.0 -75.3 -89.8-164.1 37.2 72.0 14.4 65 65 A Y S S+ 0 0 56 126,-0.1 85,-0.1 88,-0.1 127,-0.0 0.466 80.5 129.3 -82.4 -3.7 34.2 70.7 12.5 66 66 A T + 0 0 14 125,-0.1 45,-0.4 83,-0.0 2,-0.3 -0.340 37.5 160.7 -51.7 123.3 34.3 73.2 9.6 67 67 A H E -I 150 0B 3 83,-1.6 83,-2.6 43,-0.1 2,-0.5 -0.981 40.9-128.8-151.4 158.8 34.1 71.0 6.5 68 68 A Y E -Ij 149 112B 9 43,-2.2 45,-1.8 -2,-0.3 2,-0.4 -0.955 22.6-160.9-115.2 115.2 33.3 71.0 2.8 69 69 A A E -Ij 148 113B 0 79,-2.8 78,-1.9 -2,-0.5 79,-1.6 -0.816 4.4-161.8 -99.1 141.5 30.9 68.4 1.5 70 70 A F E -Ij 146 114B 0 43,-3.0 45,-2.1 -2,-0.4 2,-0.3 -0.967 20.6-115.3-127.7 137.6 30.8 67.6 -2.2 71 71 A T E +Ij 145 115B 34 74,-2.8 73,-3.0 -2,-0.4 74,-0.7 -0.542 32.3 179.3 -79.2 132.5 27.9 65.8 -4.0 72 72 A V - 0 0 3 43,-1.6 45,-0.3 -2,-0.3 71,-0.1 -0.949 33.3-104.6-124.3 154.0 28.4 62.4 -5.6 73 73 A A > - 0 0 28 69,-0.4 4,-0.7 -2,-0.3 -1,-0.0 -0.228 34.1-115.6 -65.8 161.8 25.9 60.2 -7.4 74 74 A E H >> S+ 0 0 142 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.903 116.9 49.1 -75.0 -40.8 24.7 57.3 -5.4 75 75 A E H 34 S+ 0 0 154 1,-0.2 -1,-0.2 2,-0.1 5,-0.1 0.692 110.3 55.4 -66.9 -23.2 26.3 54.7 -7.7 76 76 A D H 3> S+ 0 0 56 2,-0.1 4,-2.3 3,-0.1 5,-0.2 0.637 89.1 79.6 -82.4 -18.7 29.5 56.7 -7.4 77 77 A F H S+ 0 0 81 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.870 115.2 47.6 -64.2 -35.2 33.5 53.1 -5.7 80 80 A L H X S+ 0 0 20 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.970 110.9 52.4 -66.6 -47.7 34.7 56.6 -5.1 81 81 A S H X S+ 0 0 2 -4,-3.4 4,-3.2 1,-0.2 5,-0.2 0.921 112.2 45.0 -44.6 -55.5 35.2 55.9 -1.3 82 82 A Q H X S+ 0 0 55 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.793 110.2 54.3 -67.7 -28.8 37.3 52.8 -2.1 83 83 A R H X S+ 0 0 124 -4,-1.5 4,-1.5 -5,-0.3 -1,-0.2 0.895 111.8 45.1 -73.1 -37.0 39.2 54.7 -4.7 84 84 A L H <>S+ 0 0 0 -4,-2.7 5,-1.7 2,-0.2 4,-0.3 0.947 113.1 50.2 -67.1 -48.7 40.0 57.4 -2.1 85 85 A E H ><5S+ 0 0 20 -4,-3.2 3,-1.8 1,-0.2 -2,-0.2 0.922 109.7 51.7 -53.5 -43.9 40.9 54.7 0.5 86 86 A Q H 3<5S+ 0 0 164 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.839 103.3 58.9 -67.2 -30.1 43.2 53.0 -2.0 87 87 A A T 3<5S- 0 0 54 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.479 118.2-112.1 -75.8 0.2 44.9 56.3 -2.6 88 88 A G T < 5 + 0 0 62 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.755 56.2 166.8 75.4 24.0 45.8 56.5 1.1 89 89 A V < - 0 0 12 -5,-1.7 2,-0.4 1,-0.1 -1,-0.2 -0.365 38.9-112.3 -60.2 146.6 43.5 59.4 1.9 90 90 A T - 0 0 57 15,-0.5 15,-2.0 16,-0.1 2,-0.5 -0.776 20.6-145.1 -87.7 132.2 43.0 60.1 5.6 91 91 A I E -K 104 0B 3 -2,-0.4 462,-2.6 463,-0.3 13,-0.3 -0.831 16.7-178.6 -94.0 126.5 39.5 59.5 7.1 92 92 A W E + 0 0 24 11,-1.4 2,-0.3 -2,-0.5 460,-0.2 0.484 62.0 25.4-106.9 -3.6 38.7 62.0 9.8 93 93 A K E -K 103 0B 69 10,-0.6 10,-0.6 458,-0.2 2,-0.5 -0.989 68.2-124.5-159.7 143.3 35.3 60.8 10.9 94 94 A Q - 0 0 59 -2,-0.3 2,-0.8 8,-0.1 457,-0.1 -0.840 32.9-122.2 -88.3 130.0 33.1 57.7 11.0 95 95 A N + 0 0 10 -2,-0.5 6,-0.0 455,-0.5 7,-0.0 -0.607 38.9 167.7 -69.7 109.1 29.7 58.1 9.3 96 96 A K + 0 0 172 -2,-0.8 -1,-0.2 2,-0.0 453,-0.0 0.551 47.1 92.9-104.4 -7.2 27.3 57.3 12.1 97 97 A S S S- 0 0 51 -3,-0.1 4,-0.1 1,-0.1 -2,-0.0 0.007 84.4-115.9 -67.2-179.9 24.2 58.6 10.3 98 98 A E S S+ 0 0 170 2,-0.1 2,-0.1 0, 0.0 -1,-0.1 0.382 91.6 79.2-103.8 -0.5 21.8 56.6 8.0 99 99 A G S S- 0 0 33 18,-0.0 2,-0.7 1,-0.0 18,-0.1 -0.347 96.2 -87.9 -97.6 179.0 22.7 58.6 4.9 100 100 A A E + L 0 116B 27 16,-0.6 16,-2.1 -2,-0.1 2,-0.4 -0.843 59.2 150.9-101.7 111.7 25.8 58.1 2.7 101 101 A S E - 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0 0 27 -2,-0.5 2,-0.1 -45,-0.3 -45,-0.0 -0.061 69.3-106.8 122.8 143.3 21.6 63.6 -0.8 118 118 A S > - 0 0 65 1,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.287 37.2-103.1 -85.3 169.7 20.1 67.1 -0.9 119 119 A L H > S+ 0 0 21 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.939 124.5 57.2 -51.1 -50.4 19.1 69.5 1.9 120 120 A A H > S+ 0 0 66 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.867 106.0 49.2 -52.2 -40.7 15.5 68.4 1.1 121 121 A A H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.937 110.5 49.3 -68.6 -44.2 16.5 64.8 1.8 122 122 A R H X S+ 0 0 44 -4,-2.1 4,-3.4 1,-0.2 -2,-0.2 0.945 111.9 50.0 -57.0 -50.8 18.1 65.7 5.1 123 123 A L H X S+ 0 0 13 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.936 110.4 48.4 -49.5 -52.8 15.1 67.7 6.1 124 124 A A H X S+ 0 0 46 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.929 112.6 48.5 -61.6 -43.1 12.7 64.8 5.3 125 125 A A H X S+ 0 0 58 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.943 111.0 52.3 -57.7 -46.9 14.9 62.4 7.2 126 126 A C H < S+ 0 0 2 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.800 103.4 56.9 -58.1 -32.9 14.9 64.9 10.1 127 127 A R H < S+ 0 0 70 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.917 112.2 42.6 -63.9 -40.1 11.0 65.1 10.0 128 128 A E H < S+ 0 0 91 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.823 136.4 14.6 -71.6 -36.8 11.0 61.3 10.6 129 129 A K S < S- 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 -0.603 88.5-162.1-142.0 72.5 13.7 61.3 13.2 130 130 A P - 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