==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUL-05 2ABQ . COMPND 2 MOLECULE: FRUCTOSE 1-PHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR S.ESWARAMOORTHY,S.SWAMINATHAN,S.K.BURLEY,NEW YORK SGX . 612 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 450 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.5 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 . 2 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 . 1 0.2 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 . 49 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 2 1 1 1 1 1 2 4 0 4 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 7 2 4 2 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 . 1 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 2 0 0 0 0 0 1 1 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 X 0 0 135 0, 0.0 127,-2.4 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 -87.9 10.3 15.0 28.1 2 2 A I E -a 128 0A 2 50,-0.4 52,-2.3 125,-0.2 2,-0.4 -0.821 360.0-170.6 -95.5 123.5 7.3 14.4 25.9 3 3 A Y E -ab 129 54A 27 125,-3.0 127,-3.1 -2,-0.6 2,-0.4 -0.916 4.0-160.6-110.9 138.7 6.7 10.7 25.1 4 4 A T E -ab 130 55A 0 50,-1.8 52,-3.1 -2,-0.4 2,-0.5 -0.924 4.6-151.8-117.9 145.0 4.1 9.6 22.6 5 5 A V E +ab 131 56A 0 125,-2.1 127,-1.1 -2,-0.4 2,-0.5 -0.973 13.3 179.3-120.1 126.8 2.6 6.1 22.4 6 6 A T E - b 0 57A 4 50,-2.5 52,-1.1 -2,-0.5 127,-0.1 -0.892 3.2-178.6-127.9 99.6 1.4 4.5 19.2 7 7 A L S S+ 0 0 4 -2,-0.5 -1,-0.1 125,-0.3 50,-0.1 0.719 84.3 24.2 -70.2 -23.6 0.1 1.0 19.7 8 8 A N S S+ 0 0 18 126,-0.2 -1,-0.3 97,-0.1 126,-0.1 -0.482 81.2 176.9-143.5 67.8 -0.7 0.4 16.1 9 9 A P + 0 0 2 0, 0.0 79,-0.5 0, 0.0 2,-0.3 0.149 9.9 176.2 -59.2-175.0 1.5 2.7 13.9 10 10 A S E -Kl 36 88B 1 26,-1.5 26,-3.8 77,-0.1 2,-0.6 -0.995 39.1 -98.2-176.5 175.0 1.3 2.5 10.1 11 11 A I E -Kl 35 89B 4 77,-1.8 79,-2.6 -2,-0.3 2,-0.7 -0.973 37.9-145.7-108.9 116.3 2.3 3.7 6.7 12 12 A D E -Kl 34 90B 4 22,-2.9 22,-1.7 -2,-0.6 2,-1.1 -0.802 8.2-158.1 -86.7 115.9 -0.5 6.0 5.5 13 13 A Y E -Kl 33 91B 7 77,-3.8 79,-2.6 -2,-0.7 2,-0.5 -0.806 12.0-163.4 -96.6 93.1 -0.8 5.4 1.7 14 14 A I E +Kl 32 92B 8 18,-2.1 18,-2.6 -2,-1.1 2,-0.4 -0.675 13.7 173.1 -83.3 124.3 -2.5 8.6 0.6 15 15 A V E -Kl 31 93B 1 77,-4.2 79,-2.3 -2,-0.5 2,-0.6 -0.969 20.0-160.0-140.2 122.8 -4.0 8.4 -2.9 16 16 A Q E +Kl 30 94B 72 14,-2.0 13,-1.4 -2,-0.4 14,-1.1 -0.875 20.3 163.1-101.3 125.0 -6.1 10.9 -4.8 17 17 A V > - 0 0 2 77,-0.8 3,-2.3 -2,-0.6 2,-2.2 -0.796 25.4-159.7-145.6 97.9 -8.1 9.4 -7.7 18 18 A E T 3 S+ 0 0 141 -2,-0.3 77,-0.1 1,-0.3 -2,-0.1 -0.571 93.3 44.6 -78.7 79.5 -11.0 11.4 -9.1 19 19 A N T 3 S+ 0 0 113 -2,-2.2 -1,-0.3 1,-0.0 76,-0.1 0.147 72.3 154.0 165.0 -7.0 -12.6 8.4 -10.7 20 20 A F < + 0 0 44 -3,-2.3 2,-0.3 77,-0.1 77,-0.2 -0.220 18.9 166.1 -48.9 115.0 -12.2 5.9 -7.9 21 21 A Q - 0 0 48 1,-0.2 3,-0.4 3,-0.1 5,-0.2 -0.969 35.8-106.0-134.9 148.5 -15.1 3.4 -8.5 22 22 A Q S S+ 0 0 52 -2,-0.3 -1,-0.2 1,-0.2 385,-0.2 0.355 96.4 22.1 -53.4-163.0 -15.8 -0.1 -7.1 23 23 A G S S+ 0 0 45 381,-0.4 2,-0.3 383,-0.1 -1,-0.2 0.454 106.6 93.6 -2.1 63.8 -15.3 -3.2 -9.1 24 24 A V S S- 0 0 48 -3,-0.4 383,-1.9 380,-0.2 2,-1.4 -0.978 84.9 -95.0-166.2 155.3 -12.8 -1.7 -11.6 25 25 A V E -n 407 0C 115 -2,-0.3 2,-0.2 381,-0.2 383,-0.2 -0.584 45.3-165.6 -80.0 89.4 -9.1 -1.1 -12.2 26 26 A N E -n 408 0C 0 381,-1.5 383,-3.4 -2,-1.4 2,-0.3 -0.519 3.8-156.2 -78.6 137.9 -8.4 2.3 -10.7 27 27 A R E -n 409 0C 69 -2,-0.2 2,-0.4 381,-0.2 383,-0.1 -0.719 15.6-124.8-107.1 161.9 -5.2 4.1 -11.6 28 28 A S - 0 0 19 381,-0.7 -11,-0.2 -2,-0.3 384,-0.2 -0.869 22.1-177.7-112.3 146.5 -3.7 6.8 -9.4 29 29 A E S S+ 0 0 119 -13,-1.4 2,-0.4 -2,-0.4 -12,-0.1 0.697 80.8 29.0-108.0 -31.1 -2.8 10.4 -10.4 30 30 A R E S-K 16 0B 132 -14,-1.1 -14,-2.0 2,-0.0 2,-0.4 -0.945 71.5-177.6-137.9 111.6 -1.2 11.5 -7.1 31 31 A D E +K 15 0B 48 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.935 8.7 159.0-116.9 135.5 0.5 9.1 -4.7 32 32 A R E -K 14 0B 70 -18,-2.6 -18,-2.1 -2,-0.4 2,-0.4 -0.996 15.6-168.1-150.9 146.8 2.1 9.7 -1.3 33 33 A K E +K 13 0B 35 -2,-0.3 -20,-0.2 -20,-0.2 -22,-0.0 -0.999 12.6 166.9-139.5 139.4 3.0 7.7 1.8 34 34 A Q E -K 12 0B 14 -22,-1.7 -22,-2.9 -2,-0.4 33,-0.1 -0.978 45.6 -86.3-146.3 154.0 4.1 8.9 5.2 35 35 A P E -K 11 0B 4 0, 0.0 -24,-0.2 0, 0.0 2,-0.2 -0.399 55.8-169.4 -64.6 144.1 4.5 7.3 8.6 36 36 A G E +K 10 0B 0 -26,-3.8 -26,-1.5 4,-0.0 4,-0.1 -0.764 32.0 103.0-130.2 178.4 1.2 7.3 10.4 37 37 A G > - 0 0 15 -28,-0.2 4,-2.8 -2,-0.2 5,-0.2 -0.103 69.0 -99.2 118.6 139.6 -0.5 6.7 13.8 38 38 A K H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.885 120.6 47.4 -58.0 -44.8 -1.8 9.3 16.2 39 39 A G H > S+ 0 0 0 93,-0.6 4,-1.9 -34,-0.2 -1,-0.2 0.924 113.9 48.2 -63.1 -44.4 1.2 9.2 18.6 40 40 A I H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.941 110.8 51.4 -60.4 -47.0 3.7 9.4 15.7 41 41 A N H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.866 106.5 52.4 -63.0 -36.0 1.8 12.3 14.1 42 42 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.923 111.0 50.9 -63.9 -38.3 1.8 14.3 17.4 43 43 A S H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.972 110.6 46.8 -60.2 -55.5 5.6 13.7 17.4 44 44 A R H X S+ 0 0 27 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.899 115.1 45.5 -53.7 -49.4 6.1 14.9 13.9 45 45 A V H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.891 109.5 55.3 -64.3 -41.3 4.0 18.0 14.4 46 46 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 3,-0.5 0.932 107.2 51.5 -54.9 -44.6 5.7 18.7 17.7 47 47 A K H ><5S+ 0 0 62 -4,-2.6 3,-2.1 1,-0.3 -1,-0.2 0.915 106.9 52.1 -57.8 -46.1 9.0 18.7 15.8 48 48 A R H 3<5S+ 0 0 107 -4,-1.9 240,-0.7 1,-0.3 -1,-0.3 0.764 108.4 52.1 -64.1 -23.9 7.6 21.2 13.3 49 49 A L T 3<5S- 0 0 3 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.330 129.3 -99.2 -92.5 7.6 6.7 23.4 16.2 50 50 A G T < 5S+ 0 0 65 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.767 82.9 121.4 84.0 27.7 10.2 23.1 17.5 51 51 A H < - 0 0 34 -5,-2.5 -1,-0.2 -8,-0.2 2,-0.2 -0.964 51.9-136.6-128.7 141.7 9.8 20.5 20.2 52 52 A E + 0 0 97 -2,-0.4 -50,-0.4 24,-0.1 2,-0.3 -0.540 23.5 175.6 -88.6 159.3 11.4 17.1 20.7 53 53 A T - 0 0 8 -2,-0.2 24,-0.9 -52,-0.1 2,-0.5 -0.953 28.6-128.4-153.6 163.8 9.5 14.0 21.7 54 54 A K E -bc 3 77A 72 -52,-2.3 -50,-1.8 -2,-0.3 2,-0.4 -0.972 27.5-144.7-124.5 113.2 10.4 10.3 22.1 55 55 A A E -bc 4 78A 0 22,-2.8 24,-3.0 -2,-0.5 2,-0.3 -0.665 18.6-175.7 -85.9 130.2 8.1 8.1 20.2 56 56 A L E +b 5 0A 2 -52,-3.1 -50,-2.5 -2,-0.4 2,-0.3 -0.835 28.5 86.4-120.9 158.4 7.1 4.7 21.7 57 57 A G E S-b 6 0A 0 22,-0.4 24,-3.0 -2,-0.3 2,-0.4 -0.953 70.7 -52.8 147.3-163.6 5.0 1.8 20.3 58 58 A F E +o 81 0D 4 -52,-1.1 2,-0.4 -2,-0.3 24,-0.2 -0.934 41.6 179.9-117.9 135.7 5.4 -1.3 18.2 59 59 A L E -o 82 0D 0 22,-2.0 24,-2.4 -2,-0.4 2,-0.3 -0.989 4.4-177.7-134.6 139.8 6.9 -1.7 14.7 60 60 A G E > -o 83 0D 0 -2,-0.4 27,-2.4 22,-0.2 4,-1.9 -0.974 38.1 -14.7-140.7 151.8 7.3 -4.7 12.5 61 61 A G H > S- 0 0 27 22,-0.5 4,-2.1 -2,-0.3 5,-0.2 0.066 102.4 -38.1 60.6-167.7 8.8 -5.8 9.1 62 62 A F H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.824 137.9 55.0 -62.9 -32.9 9.8 -3.7 6.1 63 63 A T H > S+ 0 0 0 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 108.5 47.8 -70.4 -36.5 7.0 -1.3 6.7 64 64 A G H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.886 108.2 55.4 -68.6 -36.5 8.0 -0.8 10.3 65 65 A A H X S+ 0 0 48 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.895 106.0 52.5 -61.3 -38.8 11.6 -0.2 9.0 66 66 A Y H X S+ 0 0 38 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.916 110.5 47.2 -61.4 -45.6 10.2 2.5 6.7 67 67 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.919 114.5 46.2 -62.4 -45.1 8.5 4.2 9.7 68 68 A R H X S+ 0 0 60 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.939 111.9 50.9 -64.8 -47.4 11.6 4.0 11.8 69 69 A N H X S+ 0 0 61 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.932 110.1 51.3 -56.6 -47.2 13.9 5.2 9.0 70 70 A A H X S+ 0 0 14 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.963 109.8 45.5 -54.2 -62.1 11.6 8.2 8.4 71 71 A L H <>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 -1,-0.2 0.851 111.9 56.0 -51.6 -36.6 11.4 9.5 12.0 72 72 A E H ><5S+ 0 0 119 -4,-2.1 3,-2.5 1,-0.2 -1,-0.2 0.965 105.5 49.7 -58.7 -54.1 15.2 9.0 12.1 73 73 A K H 3<5S+ 0 0 153 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.765 109.3 52.6 -58.0 -27.0 15.6 11.2 9.1 74 74 A E T 3<5S- 0 0 40 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.365 112.9-122.7 -90.4 5.1 13.3 13.8 10.9 75 75 A E T < 5 + 0 0 145 -3,-2.5 2,-0.5 -5,-0.2 -3,-0.2 0.937 56.4 156.0 52.2 53.6 15.6 13.6 13.9 76 76 A I < - 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0 0 2 -27,-2.4 -77,-0.1 -2,-0.2 -24,-0.1 -0.473 53.1 -99.0 -64.1 139.5 3.3 -2.7 10.5 88 88 A R E -l 10 0B 42 -79,-0.5 -77,-1.8 15,-0.1 2,-0.6 -0.202 23.3-138.4 -64.8 151.0 -0.0 -2.1 8.9 89 89 A I E -l 11 0B 8 -79,-0.2 2,-0.4 15,-0.1 14,-0.2 -0.962 19.4-160.0-109.5 116.0 -0.5 -0.1 5.6 90 90 A N E -l 12 0B 9 -79,-2.6 -77,-3.8 -2,-0.6 2,-0.6 -0.831 8.5-141.3 -99.0 139.5 -3.5 2.2 5.8 91 91 A V E -lM 13 101B 3 10,-1.8 10,-1.5 -2,-0.4 2,-0.7 -0.887 14.7-172.2-109.2 118.6 -5.0 3.4 2.5 92 92 A K E -lM 14 100B 37 -79,-2.6 -77,-4.2 -2,-0.6 2,-0.7 -0.896 4.0-169.5-110.9 107.1 -6.3 7.0 2.2 93 93 A I E +lM 15 99B 11 6,-2.3 6,-1.4 -2,-0.7 -77,-0.3 -0.841 10.6 175.6 -99.1 111.7 -8.1 7.7 -1.0 94 94 A K E +l 16 0B 19 -79,-2.3 -77,-0.8 -2,-0.7 3,-0.3 0.098 34.1 84.6 -90.6-150.9 -8.8 11.4 -1.6 95 95 A G S S- 0 0 14 1,-0.2 -77,-0.2 -79,-0.2 -79,-0.0 -0.617 102.5 -8.1 91.3-154.7 -10.4 12.9 -4.7 96 96 A K S S+ 0 0 74 -2,-0.2 -1,-0.2 -79,-0.1 -78,-0.1 0.924 137.2 18.8 -39.7 -79.5 -14.2 13.2 -5.2 97 97 A Q S S- 0 0 124 -3,-0.3 2,-0.4 -77,-0.2 -77,-0.1 -0.258 79.6-126.2 -86.2 178.2 -15.1 11.0 -2.1 98 98 A E + 0 0 88 -2,-0.1 2,-0.4 232,-0.1 -4,-0.2 -0.879 35.0 171.3-131.0 97.1 -12.9 10.2 0.9 99 99 A T E -M 93 0B 8 -6,-1.4 -6,-2.3 -2,-0.4 2,-0.3 -0.907 11.0-166.1-114.0 136.4 -12.7 6.5 1.5 100 100 A E E -M 92 0B 25 231,-2.3 2,-0.3 -2,-0.4 -8,-0.2 -0.916 10.0-175.9-122.1 147.9 -10.4 4.7 4.0 101 101 A L E -M 91 0B 12 -10,-1.5 -10,-1.8 -2,-0.3 2,-0.2 -0.874 17.1-151.5-143.9 103.9 -9.4 1.1 4.4 102 102 A N B -p 334 0E 23 231,-1.8 233,-2.9 -2,-0.3 -12,-0.2 -0.552 14.4-124.7 -83.6 140.5 -7.2 0.1 7.4 103 103 A G - 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