==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-NOV-11 3UQD . COMPND 2 MOLECULE: 6-PHOSPHOFRUCTOKINASE ISOZYME 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.M.PEREIRA,A.CANIUGUIR,M.BAEZ,R.CABRERA,J.BABUL . 1234 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 901 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 174 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 94 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 388 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.9 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 1 3 1 3 16 0 8 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 4 6 7 6 2 4 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 12 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 0 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 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 0 138 0, 0.0 2,-0.2 0, 0.0 267,-0.2 0.000 360.0 360.0 360.0 153.4 -35.5 49.4 -45.5 2 2 A V - 0 0 54 265,-0.5 130,-0.1 1,-0.1 2,-0.1 -0.616 360.0 -80.8-106.5 170.7 -31.8 48.6 -45.0 3 3 A R - 0 0 134 -2,-0.2 130,-2.2 52,-0.0 2,-0.4 -0.390 43.3-145.3 -69.4 147.9 -29.6 45.9 -46.5 4 4 A I E +ab 55 133A 3 50,-0.6 52,-2.3 128,-0.2 2,-0.3 -0.964 19.3 174.9-122.7 134.9 -29.6 42.5 -44.9 5 5 A Y E -ab 56 134A 23 128,-2.4 130,-2.6 -2,-0.4 2,-0.3 -0.937 11.9-156.0-131.1 154.4 -26.8 40.0 -44.5 6 6 A T E -ab 57 135A 0 50,-2.5 52,-2.8 -2,-0.3 2,-0.4 -0.923 5.8-148.3-126.6 158.7 -26.4 36.7 -42.7 7 7 A L E -ab 58 136A 1 128,-2.7 130,-1.7 -2,-0.3 2,-0.6 -0.976 11.9-179.5-129.4 119.3 -23.3 34.8 -41.3 8 8 A T + 0 0 0 50,-2.6 130,-0.1 -2,-0.4 132,-0.1 -0.899 4.9 177.2-116.4 100.5 -23.0 31.0 -41.2 9 9 A L S S+ 0 0 8 -2,-0.6 -1,-0.1 1,-0.3 131,-0.1 0.787 85.2 40.4 -71.9 -25.9 -19.7 30.1 -39.7 10 10 A A S S+ 0 0 1 129,-0.3 30,-0.3 127,-0.3 -1,-0.3 -0.733 80.9 177.4-123.4 82.8 -20.8 26.4 -40.0 11 11 A P - 0 0 8 0, 0.0 79,-0.5 0, 0.0 100,-0.4 -0.230 11.3-152.2 -74.7 170.9 -22.6 25.9 -43.4 12 12 A S E -J 38 0B 0 26,-2.2 26,-2.3 77,-0.1 2,-0.8 -0.999 22.9-140.8-150.6 141.1 -23.8 22.5 -44.6 13 13 A L E -Jk 37 91B 2 77,-2.6 79,-0.8 -2,-0.3 2,-0.5 -0.890 35.3-154.2 -95.9 101.8 -24.6 20.5 -47.7 14 14 A D E -Jk 36 92B 33 22,-2.0 22,-1.8 -2,-0.8 2,-0.4 -0.663 10.1-166.7 -84.5 124.5 -27.8 18.8 -46.6 15 15 A S E -Jk 35 93B 6 77,-2.9 79,-3.0 -2,-0.5 2,-0.4 -0.901 3.0-160.1-107.9 139.4 -28.6 15.5 -48.3 16 16 A A E +Jk 34 94B 31 18,-3.1 18,-2.9 -2,-0.4 2,-0.3 -0.971 13.0 174.4-122.6 131.7 -32.0 13.9 -48.0 17 17 A T E - k 0 95B 3 77,-2.8 79,-2.2 -2,-0.4 2,-0.4 -0.878 21.3-134.3-131.9 163.4 -32.8 10.2 -48.6 18 18 A I E + k 0 96B 64 -2,-0.3 13,-1.8 77,-0.2 79,-0.2 -0.969 20.4 175.8-123.2 134.4 -35.8 7.9 -48.2 19 19 A T E - k 0 97B 2 77,-2.1 79,-1.9 -2,-0.4 80,-0.3 -0.996 29.0-137.5-137.4 142.3 -35.9 4.4 -46.7 20 20 A P S S+ 0 0 59 0, 0.0 79,-2.4 0, 0.0 2,-0.3 0.899 83.6 15.6 -68.3 -40.0 -38.9 2.0 -46.1 21 21 A Q - 0 0 104 8,-0.2 2,-0.4 77,-0.1 77,-0.1 -0.855 61.2-144.5-130.0 162.4 -37.9 0.8 -42.6 22 22 A I + 0 0 40 -2,-0.3 701,-0.0 75,-0.1 75,-0.0 -0.960 38.1 129.0-132.6 121.1 -35.6 1.7 -39.8 23 23 A Y - 0 0 111 -2,-0.4 701,-0.4 701,-0.1 3,-0.3 -0.969 52.2 -95.0-159.4 153.4 -33.8 -0.9 -37.6 24 24 A P S S+ 0 0 38 0, 0.0 2,-1.7 0, 0.0 699,-0.3 -0.186 92.7 14.7 -73.7 166.0 -30.2 -1.6 -36.4 25 25 A E S S+ 0 0 66 697,-3.7 698,-0.1 1,-0.1 845,-0.1 -0.038 99.2 100.6 71.8 -33.9 -27.6 -3.9 -37.9 26 26 A G S S- 0 0 20 -2,-1.7 2,-0.9 -3,-0.3 698,-0.5 -0.159 85.3 -96.2 -77.3 172.5 -29.3 -4.4 -41.3 27 27 A K E -n 724 0C 102 -3,-0.1 2,-1.1 696,-0.1 698,-0.1 -0.827 35.4-157.5 -87.5 104.5 -28.7 -2.8 -44.6 28 28 A L E -n 725 0C 4 696,-1.9 698,-2.4 -2,-0.9 2,-0.4 -0.759 15.0-140.9 -84.0 102.3 -31.3 -0.0 -44.8 29 29 A R E -n 726 0C 125 -2,-1.1 2,-0.3 696,-0.2 698,-0.2 -0.506 24.4-169.1 -68.5 119.3 -31.6 0.5 -48.6 30 30 A C - 0 0 8 696,-2.7 -11,-0.2 -2,-0.4 2,-0.1 -0.828 18.8-115.2-115.5 150.1 -31.9 4.2 -49.3 31 31 A T - 0 0 71 -13,-1.8 3,-0.1 -2,-0.3 -13,-0.1 -0.330 52.0 -72.3 -79.1 163.8 -32.8 6.2 -52.4 32 32 A A - 0 0 67 1,-0.1 -1,-0.2 695,-0.1 -16,-0.1 -0.364 64.9-106.5 -60.2 127.7 -30.4 8.5 -54.2 33 33 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.269 23.1-144.8 -68.3 136.7 -30.0 11.6 -52.0 34 34 A V E -J 16 0B 104 -18,-2.9 -18,-3.1 -3,-0.1 2,-0.3 -0.734 21.5-140.7 -91.3 148.0 -31.5 15.0 -52.8 35 35 A F E +J 15 0B 66 -2,-0.3 -20,-0.2 -20,-0.2 -22,-0.0 -0.807 26.2 161.0-115.4 153.1 -29.5 18.1 -51.9 36 36 A E E -J 14 0B 42 -22,-1.8 -22,-2.0 -2,-0.3 2,-0.1 -0.972 45.1 -81.5-159.6 159.9 -30.3 21.5 -50.4 37 37 A P E -J 13 0B 1 0, 0.0 2,-0.3 0, 0.0 -24,-0.2 -0.400 47.0-169.1 -69.3 143.5 -28.5 24.3 -48.6 38 38 A G E +J 12 0B 0 -26,-2.3 -26,-2.2 -2,-0.1 2,-0.1 -0.912 32.3 82.5-134.4 159.8 -27.9 24.0 -44.9 39 39 A G S > S- 0 0 12 -2,-0.3 4,-2.4 -28,-0.3 5,-0.2 -0.189 72.6 -97.6 117.0 145.0 -26.8 26.1 -42.0 40 40 A G H > S+ 0 0 8 -30,-0.3 4,-2.0 1,-0.2 98,-0.3 0.928 119.3 40.6 -63.7 -53.1 -28.6 28.6 -39.8 41 41 A G H > S+ 0 0 0 96,-1.5 4,-2.0 -34,-0.2 -1,-0.2 0.828 115.1 54.0 -66.0 -33.3 -27.7 31.9 -41.4 42 42 A I H > S+ 0 0 0 2,-0.2 4,-2.2 95,-0.2 -2,-0.2 0.917 109.2 47.3 -67.3 -43.4 -28.1 30.3 -44.9 43 43 A N H X S+ 0 0 21 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.848 108.5 55.4 -67.7 -34.4 -31.6 29.2 -44.0 44 44 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.939 109.8 46.9 -59.2 -46.5 -32.5 32.6 -42.6 45 45 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 10,-0.3 0.886 111.5 51.1 -63.9 -39.8 -31.4 34.1 -46.0 46 46 A R H X S+ 0 0 12 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.901 110.4 48.4 -62.9 -42.3 -33.5 31.5 -47.9 47 47 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.882 108.6 55.0 -67.6 -37.0 -36.6 32.2 -45.8 48 48 A I H <>S+ 0 0 0 -4,-2.1 5,-2.2 1,-0.2 4,-0.3 0.912 106.7 50.0 -61.2 -44.7 -36.1 36.0 -46.3 49 49 A A H ><5S+ 0 0 35 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.875 108.7 53.1 -62.0 -37.6 -36.1 35.5 -50.1 50 50 A H H 3<5S+ 0 0 76 -4,-1.7 247,-0.3 1,-0.2 -1,-0.2 0.825 107.5 52.4 -63.6 -32.0 -39.3 33.5 -49.9 51 51 A L T 3<5S- 0 0 13 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.409 126.0 -99.2 -89.9 0.8 -40.9 36.3 -48.0 52 52 A G T < 5S+ 0 0 66 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.346 88.8 108.4 102.5 -5.7 -40.0 38.9 -50.6 53 53 A G < - 0 0 16 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.3 -0.118 62.4-125.8 -87.1-168.5 -37.0 40.4 -49.0 54 54 A S + 0 0 77 -3,-0.1 -50,-0.6 24,-0.0 2,-0.4 -0.928 26.8 173.8-147.5 118.9 -33.3 40.0 -50.0 55 55 A A E -a 4 0A 1 -2,-0.3 2,-0.6 -10,-0.3 -50,-0.2 -0.984 25.2-136.1-130.0 137.1 -30.5 38.9 -47.8 56 56 A T E -a 5 0A 23 -52,-2.3 -50,-2.5 -2,-0.4 2,-0.7 -0.812 19.6-143.4 -93.5 120.0 -26.8 38.1 -48.7 57 57 A A E -ac 6 80A 0 22,-2.3 24,-2.5 -2,-0.6 2,-0.5 -0.729 12.0-162.7 -87.8 115.1 -25.5 34.9 -47.1 58 58 A I E +ac 7 81A 2 -52,-2.8 -50,-2.6 -2,-0.7 24,-0.2 -0.847 30.6 130.8 -95.9 129.3 -21.9 35.1 -45.9 59 59 A F E - c 0 82A 0 22,-1.4 24,-1.5 -2,-0.5 2,-0.2 -0.981 54.4 -96.0-167.3 159.0 -20.2 31.7 -45.3 60 60 A P E - c 0 83A 7 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.606 32.6-166.3 -79.0 147.8 -17.1 29.6 -46.0 61 61 A A E - c 0 84A 2 22,-2.8 24,-2.0 -2,-0.2 2,-0.4 -0.988 5.0-173.6-136.2 128.1 -17.2 27.0 -48.7 62 62 A G E > - c 0 85A 1 -2,-0.4 27,-1.9 22,-0.2 4,-1.5 -0.962 43.0 -29.2-125.1 139.0 -14.6 24.2 -49.2 63 63 A G H >> S- 0 0 13 22,-0.6 4,-2.0 -2,-0.4 3,-0.5 0.098 102.8 -36.9 60.4-167.1 -14.1 21.7 -51.9 64 64 A A H 3> S+ 0 0 28 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.775 137.8 55.6 -63.9 -29.8 -16.6 20.1 -54.2 65 65 A T H 3> S+ 0 0 18 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.818 107.0 51.4 -71.6 -30.9 -19.3 20.0 -51.5 66 66 A G H <>S+ 0 0 0 -4,-1.8 5,-2.2 1,-0.2 3,-0.7 0.908 108.9 51.6 -65.9 -41.3 -28.1 28.7 -53.5 74 74 A A H ><5S+ 0 0 61 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.880 103.7 58.3 -61.4 -38.2 -27.8 30.2 -57.0 75 75 A D H 3<5S+ 0 0 117 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.755 110.5 43.7 -62.6 -24.6 -30.5 27.9 -58.2 76 76 A E T <<5S- 0 0 61 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.365 114.8-120.4 -98.0 -0.8 -32.8 29.5 -55.6 77 77 A N T < 5 + 0 0 140 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.829 59.5 149.8 63.2 36.1 -31.5 33.0 -56.5 78 78 A V < - 0 0 7 -5,-2.2 -1,-0.2 -24,-0.1 -2,-0.1 -0.890 46.9-124.0 -97.0 123.2 -30.2 33.8 -53.0 79 79 A P - 0 0 52 0, 0.0 -22,-2.3 0, 0.0 2,-0.3 -0.355 33.4-170.6 -64.9 146.2 -27.2 36.1 -53.1 80 80 A V E -c 57 0A 49 -24,-0.2 2,-0.3 2,-0.0 -22,-0.2 -0.950 25.6-160.8-136.1 157.2 -24.0 34.9 -51.4 81 81 A A E -c 58 0A 23 -24,-2.5 -22,-1.4 -2,-0.3 2,-0.2 -0.879 30.4-175.8-135.4 103.8 -20.6 36.1 -50.4 82 82 A T E -c 59 0A 55 -2,-0.3 2,-0.4 -24,-0.2 -24,-0.1 -0.611 23.6-150.4-106.3 159.2 -18.3 33.2 -49.8 83 83 A V E -c 60 0A 4 -24,-1.5 -22,-2.8 -2,-0.2 2,-0.3 -0.985 28.8-121.3-120.2 136.0 -14.7 32.6 -48.6 84 84 A E E -c 61 0A 107 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.628 33.7-171.7 -78.9 133.2 -12.8 29.6 -50.0 85 85 A A E -c 62 0A 9 -24,-2.0 -22,-0.6 -2,-0.3 4,-0.1 -0.906 28.8-136.2-125.2 156.0 -11.7 27.2 -47.3 86 86 A K S S+ 0 0 174 -2,-0.3 2,-0.3 -24,-0.2 -1,-0.1 0.916 87.1 76.4 -75.6 -46.3 -9.4 24.1 -47.4 87 87 A D S S- 0 0 80 25,-0.4 -2,-0.1 1,-0.1 24,-0.1 -0.527 93.6-112.6 -69.0 127.0 -11.5 21.9 -45.2 88 88 A W - 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0 0 68 -5,-0.5 -5,-2.6 -6,-0.0 2,-0.4 -0.395 42.6-142.9 -81.1 161.4 -40.9 9.8 -39.1 103 103 A Q E -L 96 0B 10 -7,-0.2 541,-2.7 -2,-0.1 2,-0.4 -0.971 5.9-155.5-130.1 145.9 -37.7 11.7 -40.1 104 104 A Y E -L 95 0B 28 -9,-2.6 -9,-3.2 -2,-0.4 2,-0.6 -0.976 2.5-158.9-126.9 132.2 -34.2 11.5 -38.7 105 105 A R E -Lm 94 646B 51 540,-0.8 542,-3.1 -2,-0.4 2,-0.8 -0.868 2.3-167.6-120.3 100.8 -31.6 14.2 -38.8 106 106 A F E -Lm 93 647B 0 -13,-2.7 -13,-1.8 -2,-0.6 2,-0.7 -0.765 12.2-162.7 -91.1 109.8 -27.9 13.3 -38.5 107 107 A V E - m 0 648B 12 540,-2.2 542,-2.7 -2,-0.8 -15,-0.1 -0.829 1.2-161.0-104.2 109.9 -25.9 16.5 -37.9 108 108 A M - 0 0 9 -2,-0.7 542,-0.1 540,-0.2 543,-0.1 -0.352 33.1 -89.4 -79.4 162.1 -22.1 16.4 -38.5 109 109 A P - 0 0 49 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.394 50.5 -97.6 -68.7 152.8 -19.7 18.9 -37.0 110 110 A G - 0 0 8 30,-0.2 2,-0.1 1,-0.1 -100,-0.1 -0.209 47.2 -91.4 -64.1 160.7 -19.0 22.1 -39.1 111 111 A A - 0 0 18 -100,-0.4 -1,-0.1 1,-0.1 -22,-0.1 -0.430 48.8 -95.9 -74.7 150.9 -15.9 22.2 -41.2 112 112 A A - 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