==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-AUG-05 2AWD . COMPND 2 MOLECULE: TAGATOSE-6-PHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH CENTER . 629 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 10.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 56 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 6 1 0 2 2 1 3 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 4 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 0 0 2 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 0 A S 0 0 67 0, 0.0 52,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 144.2 34.9 36.6 37.4 2 1 A L - 0 0 34 126,-0.3 128,-2.9 50,-0.1 129,-1.9 -0.503 360.0-161.0 -76.9 132.1 36.4 37.4 34.0 3 2 A I E -ab 54 131A 0 50,-2.5 52,-2.0 -2,-0.3 2,-0.5 -0.940 4.9-156.0-109.5 124.0 39.6 35.7 32.8 4 3 A V E -ab 55 132A 0 127,-3.1 129,-2.7 -2,-0.5 2,-0.4 -0.888 9.2-155.3 -97.3 123.4 41.5 37.3 30.0 5 4 A T E -ab 56 133A 0 50,-2.7 52,-2.8 -2,-0.5 2,-0.5 -0.837 4.2-148.9 -96.5 140.3 43.8 34.9 28.0 6 5 A V E +ab 57 134A 0 127,-1.8 129,-1.1 -2,-0.4 2,-0.4 -0.959 19.9 171.4-111.2 123.9 46.9 36.3 26.1 7 6 A T E +a 58 0A 4 50,-1.8 52,-1.0 -2,-0.5 129,-0.1 -0.878 2.6 177.3-126.7 97.6 48.1 34.6 22.9 8 7 A X S S+ 0 0 2 127,-0.5 131,-0.3 -2,-0.4 130,-0.1 0.644 82.3 30.3 -80.5 -12.7 50.9 36.7 21.3 9 8 A N S S- 0 0 7 128,-0.3 -1,-0.3 129,-0.1 128,-0.2 -0.519 82.3-177.7-142.3 67.3 51.6 34.3 18.5 10 9 A P - 0 0 3 0, 0.0 79,-0.8 0, 0.0 2,-0.3 -0.204 6.5-166.5 -63.4 157.5 48.3 32.4 17.7 11 10 A S E -Jk 37 89B 1 26,-1.8 26,-2.8 77,-0.1 2,-0.8 -0.974 31.8-114.3-141.2 155.4 48.2 29.7 15.1 12 11 A I E -Jk 36 90B 0 77,-1.9 79,-3.2 -2,-0.3 2,-0.9 -0.889 38.3-145.0 -82.0 112.6 46.0 27.6 13.0 13 12 A D E -Jk 35 91B 40 22,-3.1 22,-2.1 -2,-0.8 2,-0.6 -0.772 16.5-166.9 -82.7 108.2 46.8 24.1 14.4 14 13 A I E -Jk 34 92B 1 77,-2.9 79,-2.5 -2,-0.9 2,-0.4 -0.899 4.1-169.5 -97.5 120.8 46.6 21.8 11.5 15 14 A S E -Jk 33 93B 30 18,-2.7 18,-1.8 -2,-0.6 2,-0.4 -0.972 5.4-171.2-118.3 131.9 46.6 18.1 12.5 16 15 A Y E -Jk 32 94B 0 77,-2.3 79,-3.6 -2,-0.4 2,-0.6 -0.971 11.0-154.9-118.2 123.0 46.9 15.1 10.1 17 16 A L E + k 0 95B 72 14,-1.6 2,-0.4 -2,-0.4 14,-0.4 -0.917 22.4 169.9 -93.5 119.8 46.4 11.5 11.0 18 17 A L - 0 0 15 77,-2.8 79,-0.5 -2,-0.6 3,-0.1 -0.999 32.0-152.0-122.9 131.2 48.4 9.3 8.6 19 18 A D S S+ 0 0 142 -2,-0.4 2,-0.4 1,-0.2 78,-0.2 0.843 93.4 24.1 -68.1 -30.6 48.8 5.5 9.4 20 19 A H - 0 0 105 76,-0.1 2,-0.6 -3,-0.1 -1,-0.2 -1.000 68.9-155.5-132.3 132.7 52.1 5.8 7.5 21 20 A L - 0 0 21 -2,-0.4 2,-0.6 -3,-0.1 75,-0.0 -0.957 17.9-163.2-101.4 120.7 54.3 8.9 6.9 22 21 A K > - 0 0 124 -2,-0.6 3,-0.9 397,-0.2 397,-0.3 -0.909 10.4-138.3-112.7 113.4 56.4 8.3 3.7 23 22 A L T 3 S+ 0 0 79 -2,-0.6 395,-0.1 1,-0.2 3,-0.1 -0.338 83.0 14.7 -70.5 145.3 59.4 10.5 3.2 24 23 A D T 3 S+ 0 0 90 387,-0.2 2,-0.3 1,-0.2 394,-0.3 0.747 115.6 83.5 63.9 27.7 60.2 11.9 -0.3 25 24 A T S < S- 0 0 69 -3,-0.9 394,-1.5 394,-0.1 2,-0.2 -0.991 87.4 -86.2-158.2 157.3 56.7 11.1 -1.5 26 25 A V E -n 419 0C 59 -2,-0.3 2,-0.5 392,-0.2 394,-0.2 -0.482 35.8-161.7 -71.9 127.9 53.1 12.3 -1.6 27 26 A N E -n 420 0C 11 392,-2.2 394,-2.6 -2,-0.2 2,-0.3 -0.965 8.1-158.3-112.4 124.0 51.0 11.4 1.5 28 27 A R E +n 421 0C 183 -2,-0.5 2,-0.3 392,-0.2 394,-0.2 -0.783 19.4 155.7-104.9 142.3 47.2 11.7 1.1 29 28 A T E -n 422 0C 19 392,-1.9 394,-1.1 -2,-0.3 -11,-0.1 -0.987 37.9-166.9-156.3 155.2 44.6 12.0 3.8 30 29 A S S S+ 0 0 78 -2,-0.3 2,-1.4 392,-0.2 392,-0.1 0.216 72.1 102.0-115.5 5.5 41.2 13.3 4.5 31 30 A Q + 0 0 114 -14,-0.4 -14,-1.6 2,-0.0 2,-0.4 -0.651 54.5 139.1 -89.0 80.0 41.9 13.0 8.3 32 31 A V E +J 16 0B 40 -2,-1.4 2,-0.4 -16,-0.2 -16,-0.2 -0.987 29.1 179.5-131.9 133.4 42.4 16.8 8.9 33 32 A T E -J 15 0B 75 -18,-1.8 -18,-2.7 -2,-0.4 2,-0.4 -0.991 8.4-164.8-127.7 140.9 41.5 19.3 11.6 34 33 A K E +J 14 0B 37 -2,-0.4 -20,-0.2 -20,-0.2 -22,-0.0 -0.992 21.9 170.4-124.1 126.8 42.3 22.9 11.7 35 34 A T E -J 13 0B 34 -22,-2.1 -22,-3.1 -2,-0.4 2,-0.2 -0.924 44.1 -91.0-137.9 146.6 41.8 24.6 15.1 36 35 A P E +J 12 0B 8 0, 0.0 2,-0.2 0, 0.0 -24,-0.2 -0.458 62.9 170.6 -57.2 127.6 42.6 27.8 16.9 37 36 A G E +J 11 0B 0 -26,-2.8 -26,-1.8 -2,-0.2 2,-0.1 -0.740 26.3 103.6-142.7-174.9 46.0 27.2 18.5 38 37 A G S >> S- 0 0 11 -28,-0.3 4,-1.9 -2,-0.2 3,-1.5 -0.069 82.4 -82.9 96.5 143.0 48.9 28.6 20.4 39 38 A K H 3> S+ 0 0 76 1,-0.3 4,-2.1 2,-0.2 97,-0.1 0.857 129.4 53.3 -55.0 -42.9 49.2 28.0 24.1 40 39 A G H 3> S+ 0 0 0 95,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.764 108.4 50.7 -63.9 -25.8 46.9 30.8 25.1 41 40 A L H <> S+ 0 0 0 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.803 106.5 53.5 -84.3 -33.0 44.2 29.5 22.8 42 41 A N H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.921 111.2 48.5 -55.3 -47.4 44.5 26.0 24.3 43 42 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.950 110.2 51.6 -57.3 -51.9 44.0 27.7 27.7 44 43 A T H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.894 108.6 48.7 -52.6 -47.5 41.0 29.6 26.4 45 44 A R H X S+ 0 0 33 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.912 111.7 49.2 -68.4 -39.3 39.2 26.6 25.0 46 45 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.919 111.2 50.0 -65.9 -43.9 39.6 24.5 28.2 47 46 A I H X>S+ 0 0 0 -4,-2.7 5,-2.9 2,-0.2 4,-0.9 0.936 111.4 49.0 -57.0 -45.3 38.4 27.5 30.4 48 47 A H H ><5S+ 0 0 63 -4,-2.5 3,-0.7 3,-0.2 -2,-0.2 0.926 111.5 49.5 -59.3 -46.0 35.4 27.8 28.1 49 48 A D H 3<5S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.855 107.0 54.6 -57.2 -40.8 34.8 24.0 28.4 50 49 A L H 3<5S- 0 0 8 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.719 123.3-107.8 -67.2 -20.2 35.0 24.2 32.2 51 50 A G T <<5 + 0 0 59 -4,-0.9 -3,-0.2 -3,-0.7 -2,-0.1 0.566 66.6 154.1 101.6 12.8 32.3 26.8 32.1 52 51 A G < - 0 0 14 -5,-2.9 2,-0.9 -6,-0.2 -1,-0.2 -0.260 54.7-110.8 -74.7 160.3 34.5 29.8 32.9 53 52 A D + 0 0 91 -52,-0.5 -50,-2.5 211,-0.1 2,-0.3 -0.849 57.3 165.8 -90.0 100.6 34.0 33.4 32.0 54 53 A V E -a 3 0A 2 -2,-0.9 2,-0.3 -52,-0.2 -50,-0.2 -0.906 27.8-174.2-124.3 147.7 36.8 33.8 29.4 55 54 A I E -a 4 0A 27 -52,-2.0 -50,-2.7 -2,-0.3 2,-0.4 -0.964 19.5-140.7-139.4 131.7 37.9 36.3 26.7 56 55 A A E +ac 5 79A 0 22,-2.2 24,-3.1 -2,-0.3 2,-0.3 -0.710 22.9 171.8 -94.4 131.5 40.8 35.8 24.4 57 56 A T E +a 6 0A 0 -52,-2.8 -50,-1.8 -2,-0.4 2,-0.3 -0.867 23.1 101.9-129.2 174.7 43.2 38.5 23.3 58 57 A G E S-a 7 0A 0 22,-0.3 24,-2.5 -2,-0.3 2,-0.4 -0.962 72.1 -54.3 148.1-154.4 46.5 38.6 21.3 59 58 A V E -r 82 0D 2 -52,-1.0 2,-0.4 -2,-0.3 24,-0.2 -0.981 41.9-173.9-126.4 140.4 47.1 39.6 17.7 60 59 A L E -r 83 0D 16 22,-2.3 24,-1.8 -2,-0.4 2,-0.4 -0.999 6.9-168.4-133.8 132.4 45.6 38.2 14.5 61 60 A G E > -r 84 0D 1 -2,-0.4 27,-2.1 22,-0.2 4,-2.0 -0.964 39.6 -30.4-127.8 143.4 46.6 39.1 11.0 62 61 A G H > S- 0 0 37 22,-0.7 4,-2.1 -2,-0.4 5,-0.1 0.013 102.6 -32.1 62.2-153.2 45.2 38.6 7.5 63 62 A F H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.819 136.6 53.4 -76.0 -32.2 43.0 35.8 6.3 64 63 A H H > S+ 0 0 4 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.882 111.5 47.3 -69.9 -37.3 44.6 33.1 8.5 65 64 A G H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.910 110.0 52.6 -66.7 -42.5 43.8 35.4 11.5 66 65 A A H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.838 105.9 55.4 -60.2 -34.9 40.2 36.0 10.2 67 66 A F H X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.907 109.5 45.7 -62.7 -43.3 39.9 32.2 10.0 68 67 A I H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.946 110.9 52.5 -65.3 -48.9 40.8 31.9 13.7 69 68 A A H X S+ 0 0 27 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.904 111.0 49.2 -52.0 -40.8 38.5 34.8 14.7 70 69 A N H X S+ 0 0 50 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.883 107.3 51.5 -70.5 -41.2 35.6 33.0 12.8 71 70 A E H X S+ 0 0 46 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.861 109.5 51.4 -62.6 -37.7 36.2 29.6 14.5 72 71 A L H X>S+ 0 0 2 -4,-2.0 5,-2.4 2,-0.2 4,-0.6 0.900 107.7 53.1 -63.7 -42.3 36.1 31.2 17.9 73 72 A K H ><5S+ 0 0 127 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.904 108.4 49.6 -57.4 -44.6 32.8 32.9 16.9 74 73 A K H 3<5S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.739 111.8 49.2 -66.0 -25.7 31.3 29.5 16.0 75 74 A A H 3<5S- 0 0 44 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.526 111.1-124.6 -87.4 -8.6 32.5 28.2 19.4 76 75 A N T <<5 + 0 0 130 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.787 59.2 149.7 62.9 31.5 30.9 31.2 21.2 77 76 A I < - 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