==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, LIGASE 05-JUN-09 3A30 . COMPND 2 MOLECULE: BIFUNCTIONAL GLUTATHIONYLSPERMIDINE SYNTHETASE/AM . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-H.PAI,T.-P.KO,B.-Y.CHIANG,C.-H.LIN,A.H.-J.WANG . 179 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9246.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 63.7 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 . 56 31.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0.6 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 . 17 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 1 0 0 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 . 1 1 0 7 2 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 . 2 1 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 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 8 A Q 0 0 210 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.5 33.6 26.4 12.0 2 9 A D - 0 0 96 138,-0.2 138,-0.3 1,-0.1 136,-0.0 -0.376 360.0-135.5 -66.2 142.8 33.7 25.7 8.3 3 10 A A - 0 0 11 136,-3.0 19,-0.4 1,-0.2 3,-0.1 -0.595 31.5 -81.8 -97.2 161.0 36.9 24.1 7.1 4 11 A P > - 0 0 97 0, 0.0 3,-2.1 0, 0.0 16,-0.3 -0.127 64.9 -71.4 -58.3 156.2 38.9 25.1 3.9 5 12 A F T 3 S+ 0 0 64 17,-0.6 16,-0.2 1,-0.3 18,-0.0 -0.151 121.7 16.9 -47.2 137.8 37.9 23.8 0.5 6 13 A G T 3 S+ 0 0 26 14,-2.7 -1,-0.3 1,-0.2 2,-0.2 0.449 85.6 148.6 76.9 0.2 38.6 20.1 0.2 7 14 A T < - 0 0 46 -3,-2.1 13,-2.2 132,-0.1 2,-0.5 -0.477 54.3-115.7 -70.9 136.4 39.0 19.4 3.9 8 15 A L E +A 19 0A 75 11,-0.2 11,-0.2 -2,-0.2 3,-0.1 -0.601 35.4 178.0 -71.0 121.7 38.0 15.8 5.0 9 16 A L E - 0 0 9 9,-3.2 133,-2.8 -2,-0.5 2,-0.3 0.682 53.5 -70.7 -99.4 -22.6 35.0 16.4 7.3 10 17 A G E -A 18 0A 16 8,-0.9 8,-2.0 131,-0.2 -1,-0.3 -0.981 56.1 -72.6 161.5-158.5 34.2 12.8 8.0 11 18 A Y E -A 17 0A 106 135,-0.5 6,-0.2 -2,-0.3 3,-0.1 -0.970 21.9-140.9-136.3 150.5 32.8 9.7 6.3 12 19 A A E >> -A 16 0A 0 4,-3.2 4,-1.7 -2,-0.3 3,-1.1 -0.605 59.4 -61.2 -97.6 164.7 29.4 8.4 5.2 13 20 A P T 34 S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.141 127.6 33.2 -47.6 137.0 28.5 4.7 5.6 14 21 A G T 34 S- 0 0 64 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.554 131.9 -75.2 90.6 9.0 30.9 2.4 3.8 15 22 A G T <4 S+ 0 0 47 -3,-1.1 2,-0.7 1,-0.2 -1,-0.2 0.866 78.4 162.3 70.7 36.6 33.8 4.8 4.3 16 23 A V E < -A 12 0A 0 -4,-1.7 -4,-3.2 -3,-0.1 -1,-0.2 -0.822 36.3-126.8 -93.1 114.3 32.8 7.3 1.7 17 24 A A E -A 11 0A 9 -2,-0.7 2,-0.5 -6,-0.2 -6,-0.2 -0.230 15.5-154.6 -64.3 144.8 34.6 10.6 2.4 18 25 A I E -A 10 0A 1 -8,-2.0 -9,-3.2 -6,-0.0 -8,-0.9 -0.984 15.9-165.8-119.9 124.3 32.7 13.9 2.8 19 26 A Y E -A 8 0A 62 -2,-0.5 117,-0.5 -11,-0.2 -11,-0.2 -0.828 25.1-107.1-115.7 153.5 34.7 17.1 1.9 20 27 A S - 0 0 0 -13,-2.2 -14,-2.7 -2,-0.3 119,-0.1 -0.476 24.7-167.2 -69.6 142.9 34.2 20.8 2.6 21 28 A S + 0 0 1 -16,-0.2 2,-1.3 -2,-0.1 -16,-0.1 -0.093 32.0 143.7-124.9 35.5 33.2 22.7 -0.6 22 29 A D + 0 0 48 -19,-0.4 -17,-0.6 1,-0.2 -2,-0.1 -0.636 15.3 169.7 -79.2 95.4 33.7 26.2 0.6 23 30 A Y + 0 0 98 -2,-1.3 2,-0.2 -19,-0.1 -1,-0.2 0.705 46.1 105.2 -77.5 -21.4 35.0 28.0 -2.5 24 31 A S 0 0 88 1,-0.2 -19,-0.1 -3,-0.1 -2,-0.0 -0.420 360.0 360.0 -67.5 130.2 34.6 31.4 -0.8 25 32 A S 0 0 176 -2,-0.2 -1,-0.2 -21,-0.1 -2,-0.1 -0.281 360.0 360.0 68.7 360.0 37.7 33.1 0.4 26 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 27 40 A D 0 0 210 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -30.4 37.0 25.5 -15.7 28 41 A D > - 0 0 95 1,-0.1 3,-1.3 2,-0.1 0, 0.0 -0.258 360.0-135.4 -60.7 141.2 40.2 24.1 -14.3 29 42 A A G > S+ 0 0 57 1,-0.3 3,-1.7 2,-0.1 -1,-0.1 0.617 95.9 80.5 -71.8 -13.9 40.6 20.3 -14.3 30 43 A V G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.681 88.8 56.5 -67.6 -16.1 41.9 20.3 -10.8 31 44 A F G < S+ 0 0 67 -3,-1.3 12,-2.7 2,-0.1 2,-0.5 0.190 84.7 103.1 -99.0 14.7 38.3 20.7 -9.6 32 45 A R E < -B 42 0B 128 -3,-1.7 2,-0.5 10,-0.2 10,-0.2 -0.872 63.7-144.9-100.4 126.1 37.2 17.5 -11.4 33 46 A S E +B 41 0B 5 8,-3.5 7,-3.1 -2,-0.5 8,-1.3 -0.782 23.4 172.1 -95.4 130.0 36.7 14.4 -9.2 34 47 A Y E -B 39 0B 107 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.945 24.2-161.0-133.3 153.6 37.6 11.0 -10.5 35 48 A I E > S-B 38 0B 43 3,-2.3 3,-1.3 -2,-0.3 -2,-0.0 -0.915 83.0 -31.3-134.0 102.3 37.9 7.5 -9.0 36 49 A D T 3 S- 0 0 151 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.954 125.7 -40.8 48.9 68.8 40.0 5.3 -11.3 37 50 A D T 3 S+ 0 0 161 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.426 115.0 116.4 65.4 -2.3 39.2 6.8 -14.7 38 51 A E E < -B 35 0B 42 -3,-1.3 -3,-2.3 2,-0.0 2,-0.3 -0.882 66.7-129.1-102.8 122.8 35.5 7.2 -13.7 39 52 A Y E +B 34 0B 71 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.531 28.5 174.8 -72.1 126.0 34.2 10.8 -13.5 40 53 A M E - 0 0 0 -7,-3.1 2,-0.3 -2,-0.3 11,-0.2 0.807 46.0 -97.5 -98.6 -40.9 32.4 11.4 -10.2 41 54 A G E -B 33 0B 2 -8,-1.3 -8,-3.5 10,-0.1 2,-0.4 -0.980 54.6 -28.2 153.8-165.0 31.7 15.1 -10.4 42 55 A H E > S-B 32 0B 77 -2,-0.3 3,-2.7 -10,-0.2 2,-0.4 -0.726 80.6 -78.5 -89.7 132.2 32.8 18.7 -9.5 43 56 A K T 3 S- 0 0 53 -12,-2.7 3,-0.1 -2,-0.4 -22,-0.0 -0.616 102.8 -15.9 -74.2 124.8 34.8 19.1 -6.2 44 57 A W T 3 S+ 0 0 31 -2,-0.4 -1,-0.3 1,-0.2 92,-0.2 -0.354 92.7 126.5-131.3 72.4 33.1 19.0 -3.9 45 58 A Q <> - 0 0 61 -3,-2.7 4,-1.8 90,-0.1 -1,-0.2 -0.194 67.9 -95.2 -84.2 175.4 29.4 19.5 -4.6 46 59 A C H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.888 121.2 50.7 -55.5 -47.3 26.3 17.6 -3.8 47 60 A V H > S+ 0 0 23 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.884 106.5 55.4 -61.6 -40.2 26.2 15.6 -7.0 48 61 A E H > S+ 0 0 0 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.930 110.0 46.0 -59.3 -45.7 29.8 14.5 -6.8 49 62 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.933 112.8 49.0 -63.3 -48.4 29.2 13.0 -3.3 50 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.900 113.7 46.0 -59.9 -43.1 26.0 11.2 -4.3 51 64 A R H X S+ 0 0 6 -4,-2.5 4,-2.2 -11,-0.2 -1,-0.2 0.939 114.0 47.9 -67.4 -44.8 27.6 9.7 -7.4 52 65 A R H X S+ 0 0 10 -4,-2.4 4,-3.0 -5,-0.3 5,-0.3 0.884 109.7 54.6 -62.0 -38.4 30.8 8.7 -5.6 53 66 A F H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 5,-0.4 0.956 110.7 43.1 -60.8 -52.8 28.7 7.1 -2.8 54 67 A L H X>S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 6,-1.3 0.873 115.3 52.2 -61.8 -35.5 26.7 4.9 -5.1 55 68 A F H X5S+ 0 0 40 -4,-2.2 4,-1.1 4,-0.3 -2,-0.2 0.949 115.1 38.4 -65.9 -49.6 29.9 4.0 -7.0 56 69 A L H <5S+ 0 0 80 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.822 129.6 30.4 -72.9 -33.5 31.9 3.0 -3.9 57 70 A N H <5S+ 0 0 60 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.689 136.3 20.7-100.4 -21.4 29.0 1.2 -2.1 58 71 A Y H <5S- 0 0 124 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.487 89.7-124.7-125.1 -7.5 26.8 -0.0 -5.0 59 72 A G S < S- 0 0 68 1,-0.1 3,-1.9 -20,-0.0 4,-0.4 -0.986 77.2-126.6-129.1 139.0 21.6 20.6 -12.0 68 81 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 4,-0.4 0.815 105.9 64.2 -50.3 -40.1 20.9 18.3 -9.0 69 82 A W G > S+ 0 0 70 47,-1.8 3,-1.1 1,-0.3 -1,-0.3 0.778 90.8 69.0 -60.1 -22.8 17.1 18.7 -9.3 70 83 A E G X S+ 0 0 65 -3,-1.9 3,-2.4 46,-0.3 4,-0.4 0.732 79.5 76.5 -66.8 -23.6 17.3 16.9 -12.7 71 84 A I G X S+ 0 0 0 -3,-1.9 3,-1.9 -4,-0.4 -1,-0.2 0.867 82.6 67.5 -56.0 -34.8 18.3 13.7 -11.0 72 85 A F G < S+ 0 0 30 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.633 99.3 51.5 -62.1 -12.0 14.6 13.3 -10.0 73 86 A S G < S+ 0 0 83 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.490 86.0 104.3-101.6 -8.2 13.9 12.9 -13.7 74 87 A L < - 0 0 32 -3,-1.9 3,-0.1 -4,-0.4 -12,-0.0 -0.416 47.7-171.0 -72.1 152.4 16.4 10.1 -14.3 75 88 A R + 0 0 104 -2,-0.1 13,-2.4 14,-0.1 2,-0.3 0.244 58.5 42.7-131.0 12.7 15.0 6.6 -14.7 76 89 A F E - D 0 87C 114 11,-0.3 2,-0.3 102,-0.0 -13,-0.3 -0.975 57.1-144.8-153.1 164.4 18.1 4.3 -14.7 77 90 A L E - D 0 86C 12 9,-2.6 9,-3.2 -2,-0.3 2,-0.5 -0.961 22.8-130.1-129.3 146.5 21.5 3.7 -13.0 78 91 A R E -CD 61 85C 79 -17,-3.3 -17,-1.9 -2,-0.3 2,-0.9 -0.882 10.6-137.1-104.9 127.7 24.5 2.4 -14.8 79 92 A E E >>> -CD 60 84C 60 5,-2.9 4,-1.8 -2,-0.5 3,-1.1 -0.732 17.2-150.9 -81.6 108.1 26.5 -0.6 -13.4 80 93 A V T 345S+ 0 0 32 -21,-1.3 -1,-0.2 -2,-0.9 -20,-0.1 0.729 85.4 61.0 -55.1 -29.0 30.1 0.6 -13.9 81 94 A V T 345S+ 0 0 122 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.796 128.6 4.6 -73.5 -28.0 31.6 -2.9 -14.3 82 95 A N T <45S- 0 0 71 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.254 94.3-115.6-140.3 12.1 29.7 -3.9 -17.4 83 96 A D T <5 + 0 0 101 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.747 57.7 160.1 56.3 26.5 27.7 -0.9 -18.4 84 97 A N E < -D 79 0C 84 -5,-0.7 -5,-2.9 1,-0.0 2,-0.4 -0.549 37.9-124.8 -77.3 146.2 24.4 -2.7 -17.7 85 98 A I E -D 78 0C 99 -7,-0.2 -7,-0.2 -2,-0.2 -1,-0.0 -0.805 23.4-166.0 -98.2 132.7 21.4 -0.5 -17.2 86 99 A L E -D 77 0C 45 -9,-3.2 -9,-2.6 -2,-0.4 93,-0.1 -0.948 25.9-107.3-119.9 136.2 19.3 -0.7 -14.0 87 100 A P E -D 76 0C 28 0, 0.0 92,-0.7 0, 0.0 2,-0.4 -0.291 31.2-170.4 -63.8 139.2 15.8 0.8 -13.5 88 101 A L E -E 178 0D 3 -13,-2.4 2,-0.4 90,-0.3 90,-0.2 -0.995 2.7-164.7-130.8 134.4 15.4 3.8 -11.2 89 102 A Q E -E 177 0D 50 88,-2.4 88,-2.1 -2,-0.4 2,-0.3 -0.948 13.5-132.4-125.8 145.2 12.0 5.2 -10.0 90 103 A A E -E 176 0D 21 -2,-0.4 86,-0.2 86,-0.2 -18,-0.0 -0.740 12.8-164.1 -96.4 140.0 11.1 8.5 -8.4 91 104 A F E -E 175 0D 34 84,-2.3 84,-2.0 -2,-0.3 4,-0.2 -0.929 19.9-132.3-127.4 106.8 8.9 8.8 -5.4 92 105 A P E > -E 174 0D 78 0, 0.0 3,-1.4 0, 0.0 82,-0.3 -0.154 37.6 -89.9 -53.8 144.2 7.4 12.3 -4.6 93 106 A N T 3 S+ 0 0 50 80,-2.4 69,-0.2 79,-0.3 81,-0.0 -0.353 119.4 37.7 -57.1 134.2 7.6 13.5 -1.0 94 107 A G T 3 S+ 0 0 24 67,-2.0 -1,-0.3 1,-0.3 68,-0.2 0.521 87.8 147.3 97.4 8.5 4.5 12.3 0.8 95 108 A S < - 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