==== 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 LYASE 11-AUG-04 1X6M . COMPND 2 MOLECULE: GLUTATHIONE-DEPENDENT FORMALDEHYDE-ACTIVATING ENZ . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR A.M.NECULAI,D.NECULAI,J.A.VORHOLT,S.BECKER . 780 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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-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 . 2 0.3 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 . 50 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 3 0 0 0 0 0 2 2 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 7 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 4 17 3 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 1 3 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 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 G 0 0 131 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.2 3.2 88.3 -15.1 2 2 A H - 0 0 107 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.969 360.0-146.0-179.9 143.2 1.1 85.1 -15.3 3 3 A M S S+ 0 0 186 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.806 84.1 40.9-104.5 -37.1 -2.3 83.5 -16.4 4 4 A V S S- 0 0 40 155,-0.1 2,-0.5 154,-0.1 -1,-0.2 -0.948 83.2-119.1-116.6 137.7 -3.3 80.9 -13.8 5 5 A D + 0 0 102 -2,-0.4 158,-0.1 1,-0.1 157,-0.1 -0.658 34.4 171.2 -79.9 123.7 -2.9 81.4 -10.1 6 6 A T > + 0 0 17 -2,-0.5 3,-1.5 156,-0.1 -1,-0.1 0.278 27.6 131.2-120.8 2.9 -0.6 78.8 -8.8 7 7 A S T 3 S+ 0 0 93 1,-0.2 3,-0.1 3,-0.0 156,-0.0 -0.361 73.5 18.8 -70.9 143.8 -0.1 80.1 -5.2 8 8 A G T 3 S+ 0 0 67 1,-0.2 2,-0.6 -2,-0.0 -1,-0.2 0.272 86.5 138.1 80.1 -13.5 -0.5 77.5 -2.4 9 9 A V < - 0 0 12 -3,-1.5 2,-0.5 150,-0.1 -1,-0.2 -0.588 32.1-171.0 -72.1 115.2 0.0 74.5 -4.8 10 10 A K + 0 0 121 -2,-0.6 56,-0.2 1,-0.1 153,-0.0 -0.924 15.0 167.0-106.5 130.9 2.2 71.9 -3.2 11 11 A I - 0 0 1 -2,-0.5 56,-2.1 1,-0.3 55,-1.1 0.801 67.7 -27.5-104.8 -67.8 3.4 69.0 -5.4 12 12 A H >> - 0 0 1 53,-0.2 3,-2.8 54,-0.2 4,-1.8 -0.958 56.7-119.0-154.9 135.0 6.3 67.2 -3.5 13 13 A P H 3> S+ 0 0 74 0, 0.0 4,-0.8 0, 0.0 51,-0.0 0.725 113.8 62.6 -45.7 -30.8 8.7 68.7 -0.8 14 14 A A H 34 S+ 0 0 31 1,-0.2 6,-0.4 2,-0.1 0, 0.0 0.500 117.6 26.0 -77.7 -13.2 11.6 67.8 -3.2 15 15 A V H X4 S+ 0 0 1 -3,-2.8 3,-0.7 4,-0.1 -1,-0.2 0.445 106.3 77.1-118.9 -12.7 10.2 70.1 -5.9 16 16 A D H 3< S+ 0 0 28 -4,-1.8 -2,-0.1 1,-0.3 3,-0.1 0.839 106.8 26.2 -73.4 -35.0 8.3 72.7 -3.8 17 17 A N T 3< S- 0 0 140 -4,-0.8 -1,-0.3 1,-0.5 2,-0.1 -0.325 135.1 -34.9-128.9 51.9 11.2 74.7 -2.5 18 18 A G < - 0 0 52 -3,-0.7 2,-0.6 1,-0.1 -1,-0.5 0.090 57.5-117.1 106.9 137.6 13.9 74.2 -5.1 19 19 A I - 0 0 55 -3,-0.1 -4,-0.1 -4,-0.1 118,-0.1 -0.952 28.7-136.3-108.9 112.3 14.9 71.2 -7.3 20 20 A K - 0 0 133 -2,-0.6 2,-0.1 -6,-0.4 -2,-0.0 -0.400 24.6-130.7 -62.8 131.1 18.3 70.0 -6.5 21 21 A P - 0 0 78 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.426 21.1 -93.7 -82.4 164.3 20.3 69.2 -9.6 22 22 A A - 0 0 47 -2,-0.1 113,-0.2 111,-0.1 114,-0.1 -0.237 40.7-142.6 -55.2 154.4 22.3 66.1 -10.6 23 23 A Q > - 0 0 101 111,-1.5 3,-1.4 110,-0.1 113,-0.0 -0.972 31.2 -85.4-129.5 148.5 26.1 66.5 -9.8 24 24 A P T 3 S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.192 104.8 1.5 -72.6 147.1 28.8 65.2 -12.0 25 25 A G T 3 S+ 0 0 80 1,-0.2 2,-0.1 2,-0.0 -3,-0.0 0.758 81.7 177.4 51.9 29.3 30.0 61.6 -11.8 26 26 A F < - 0 0 38 -3,-1.4 21,-0.3 108,-0.2 -1,-0.2 -0.436 10.0-171.9 -55.8 131.2 27.4 60.9 -9.1 27 27 A A - 0 0 73 1,-0.4 2,-0.2 19,-0.2 -1,-0.1 0.281 38.4 -96.7-118.1 6.3 27.8 57.2 -8.4 28 28 A G - 0 0 16 17,-0.2 -1,-0.4 2,-0.0 2,-0.3 -0.716 35.3-154.8 117.8-166.1 24.9 56.5 -6.0 29 29 A G E -A 44 0A 17 15,-3.0 15,-4.1 -2,-0.2 2,-0.4 -0.929 31.4 -56.5 176.5-151.7 24.2 56.2 -2.3 30 30 A T E -A 43 0A 45 -2,-0.3 101,-0.5 13,-0.3 2,-0.4 -0.976 29.4-150.4-129.9 132.2 21.9 54.7 0.3 31 31 A L E -AB 42 130A 0 11,-3.6 11,-2.7 -2,-0.4 2,-0.4 -0.806 17.6-167.7 -98.1 134.1 18.1 54.9 0.8 32 32 A H E -A 41 0A 52 97,-2.1 9,-0.2 -2,-0.4 -2,-0.0 -0.976 16.1-129.2-121.2 144.0 16.9 54.7 4.3 33 33 A C - 0 0 0 7,-2.3 74,-0.0 -2,-0.4 67,-0.0 -0.109 35.4-100.5 -72.4-174.3 13.3 54.1 5.6 34 34 A K S S+ 0 0 114 67,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.304 75.5 127.1 -99.9 10.2 11.8 56.5 8.2 35 35 A C - 0 0 23 1,-0.1 3,-0.1 5,-0.1 -2,-0.0 -0.512 58.5-139.7 -66.0 127.7 12.2 54.2 11.3 36 36 A S S S+ 0 0 118 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.759 86.8 27.5 -67.3 -22.9 14.0 56.1 14.0 37 37 A T S S+ 0 0 102 1,-0.1 -1,-0.2 0, 0.0 -3,-0.0 -0.997 127.3 6.7-144.3 139.5 16.0 53.0 14.9 38 38 A N S S- 0 0 131 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.1 0.879 81.4-172.5 59.1 45.5 17.1 50.0 12.8 39 39 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.196 32.6-100.1 -61.2 151.2 15.8 51.4 9.5 40 40 A V - 0 0 0 43,-0.1 -7,-2.3 46,-0.1 2,-0.4 -0.617 44.2-161.5 -56.9 132.2 15.7 49.4 6.3 41 41 A R E -AC 32 82A 83 41,-1.5 40,-2.8 -2,-0.3 41,-1.5 -0.996 10.4-174.7-121.2 130.3 18.8 50.6 4.3 42 42 A V E -AC 31 80A 0 -11,-2.7 -11,-3.6 -2,-0.4 2,-0.4 -0.995 17.0-139.7-122.6 130.3 19.2 50.0 0.6 43 43 A A E -AC 30 79A 3 36,-2.7 36,-2.2 -2,-0.4 2,-0.5 -0.760 10.2-167.8 -81.4 134.6 22.3 50.8 -1.4 44 44 A V E -AC 29 78A 0 -15,-4.1 -15,-3.0 -2,-0.4 34,-0.2 -0.940 5.7-173.7-120.3 104.1 21.8 52.3 -4.9 45 45 A R + 0 0 151 32,-2.9 2,-0.3 -2,-0.5 -17,-0.2 -0.096 59.2 50.7 -98.9 34.3 25.2 52.0 -6.5 46 46 A A S S- 0 0 33 31,-0.1 2,-0.3 -2,-0.1 -17,-0.2 -0.955 90.3 -92.5-154.2 168.9 24.5 54.0 -9.7 47 47 A Q - 0 0 56 -2,-0.3 88,-0.1 -21,-0.3 -2,-0.1 -0.657 47.4-124.3 -80.4 142.5 23.0 57.2 -10.8 48 48 A T - 0 0 6 -2,-0.3 2,-0.3 25,-0.1 25,-0.2 -0.233 19.2-150.4 -80.4 173.3 19.3 57.0 -11.5 49 49 A A E +D 72 0B 41 23,-2.3 23,-2.3 1,-0.1 86,-0.0 -0.933 67.0 24.1-137.0 161.8 17.5 57.9 -14.8 50 50 A H E + 0 0 77 -2,-0.3 2,-0.2 21,-0.2 -1,-0.1 0.844 67.9 178.7 55.3 45.4 14.0 59.1 -15.6 51 51 A N E + 0 0 3 86,-0.4 88,-2.3 20,-0.2 89,-0.4 -0.579 14.2 154.5 -75.2 140.2 13.2 60.7 -12.2 52 52 A H E -D 70 0B 12 18,-1.4 18,-2.1 86,-0.3 2,-0.3 -0.936 46.8-107.2-157.0 162.1 9.8 62.2 -12.4 53 53 A V E -De 69 141B 0 87,-2.3 89,-2.8 -2,-0.3 2,-0.4 -0.840 39.1-159.8 -95.9 152.5 6.9 63.1 -10.1 54 54 A C E -De 68 142B 5 14,-2.1 14,-2.5 -2,-0.3 89,-0.2 -0.990 23.4-161.6-142.8 131.3 4.0 60.7 -10.4 55 55 A G + 0 0 0 87,-2.8 88,-0.2 -2,-0.4 95,-0.1 0.497 49.3 125.6 -92.5 -5.3 0.4 61.1 -9.5 56 56 A C - 0 0 26 86,-0.3 3,-0.4 1,-0.1 -2,-0.1 -0.113 65.2-125.6 -56.7 162.0 -0.6 57.4 -9.5 57 57 A T S S+ 0 0 58 1,-0.2 -1,-0.1 89,-0.0 90,-0.0 0.604 101.5 62.7 -86.2 -16.7 -2.3 55.9 -6.4 58 58 A K S S+ 0 0 137 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.607 84.0 89.8 -85.3 -21.1 0.3 53.0 -6.1 59 59 A C S S- 0 0 10 -3,-0.4 2,-0.1 1,-0.1 11,-0.0 -0.627 81.6-107.4 -83.1 146.0 3.5 55.0 -5.4 60 60 A W - 0 0 33 -2,-0.3 9,-0.4 9,-0.0 -1,-0.1 -0.391 37.0-176.9 -71.6 140.7 4.8 56.1 -2.1 61 61 A K - 0 0 39 7,-0.2 7,-0.2 -2,-0.1 3,-0.1 -0.993 29.8-109.2-137.9 135.2 4.4 59.8 -1.2 62 62 A P > - 0 0 19 0, 0.0 3,-2.0 0, 0.0 5,-0.1 -0.304 58.4 -70.7 -64.1 151.9 5.7 61.6 1.9 63 63 A E T 3 S+ 0 0 208 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.176 122.9 13.2 -46.0 126.9 3.0 62.8 4.3 64 64 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.1 -54,-0.1 -0.212 96.9 125.9 100.2 -39.2 1.1 65.7 2.8 65 65 A A < - 0 0 20 -3,-2.0 -1,-0.3 1,-0.1 -53,-0.2 -0.176 46.1-162.6 -68.0 142.5 2.4 65.2 -0.7 66 66 A I S S+ 0 0 31 -55,-1.1 2,-0.3 -56,-0.2 -54,-0.2 0.673 79.2 41.6 -94.1 -22.4 0.1 64.9 -3.7 67 67 A F S S- 0 0 0 -56,-2.1 2,-0.3 -5,-0.1 -12,-0.2 -0.855 73.3-139.8-117.1 157.0 2.8 63.4 -6.0 68 68 A S E -D 54 0B 0 -14,-2.5 -14,-2.1 -2,-0.3 2,-0.5 -0.752 15.7-134.9 -98.2 162.4 5.5 60.9 -5.3 69 69 A Q E +D 53 0B 11 -9,-0.4 2,-0.4 -2,-0.3 59,-0.3 -0.990 33.3 171.0-116.5 123.1 9.0 61.3 -6.8 70 70 A V E -D 52 0B 2 -18,-2.1 -18,-1.4 -2,-0.5 2,-0.2 -0.995 11.7-175.1-141.5 140.1 10.3 58.1 -8.3 71 71 A A E - 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0 0 1 -5,-2.6 -29,-0.2 -6,-0.2 -1,-0.2 -0.785 54.3-140.2-102.2 97.8 -5.1 68.2 -32.8 757 170 D E E -m 727 0H 83 -2,-0.9 -29,-2.4 -31,-0.6 2,-0.4 -0.335 20.4-126.5 -62.2 122.5 -3.1 68.0 -29.6 758 171 D P E +m 728 0H 13 0, 0.0 2,-0.3 0, 0.0 -29,-0.2 -0.542 32.5 175.5 -71.1 122.4 -1.3 64.5 -29.3 759 172 D Y - 0 0 67 -31,-2.3 -28,-2.5 -2,-0.4 -27,-0.1 -0.921 34.8-143.0-122.4 156.4 -1.9 62.6 -26.1 760 173 D D S S+ 0 0 16 -2,-0.3 2,-0.2 -30,-0.3 -31,-0.1 0.402 98.5 14.5 -95.1 -0.2 -0.8 59.1 -25.1 761 174 D A S S- 0 0 10 1,-0.4 -31,-1.5 -33,-0.2 -2,-0.2 -0.432 118.0 -49.1-134.0-145.9 -4.1 58.6 -23.4 762 175 D L S S- 0 0 19 -33,-0.2 -1,-0.4 -2,-0.2 -589,-0.2 -0.273 75.9 -72.2 -78.3 175.4 -7.2 60.8 -23.7 763 176 D S > - 0 0 9 -4,-0.1 4,-2.6 1,-0.1 3,-0.4 -0.371 50.9-105.6 -60.2 151.2 -7.2 64.6 -23.4 764 177 D P H > S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.828 119.3 52.0 -52.5 -41.2 -6.7 66.0 -19.9 765 178 D P H > S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.869 112.6 46.8 -62.9 -37.4 -10.4 67.0 -19.3 766 179 D L H > S+ 0 0 16 -3,-0.4 4,-2.4 2,-0.2 5,-0.1 0.915 111.6 49.9 -66.9 -44.5 -11.5 63.5 -20.3 767 180 D M H X S+ 0 0 33 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.870 110.8 49.2 -63.1 -37.8 -8.9 61.9 -18.1 768 181 D D H X S+ 0 0 20 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.892 110.1 53.3 -65.0 -38.0 -10.0 64.1 -15.1 769 182 D A H X S+ 0 0 52 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.952 111.3 45.2 -58.8 -49.8 -13.6 63.1 -15.9 770 183 D I H X S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.943 113.6 48.3 -59.9 -52.9 -12.6 59.4 -15.8 771 184 D A H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.801 110.7 52.8 -54.8 -36.4 -10.6 59.8 -12.5 772 185 D T H X S+ 0 0 26 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.886 109.3 48.5 -66.6 -43.5 -13.5 61.7 -10.9 773 186 D H H X S+ 0 0 58 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.981 114.8 44.9 -60.7 -57.5 -15.9 58.9 -11.7 774 187 D I H X S+ 0 0 47 -4,-2.5 4,-1.6 1,-0.2 6,-0.2 0.901 114.2 49.3 -48.1 -51.4 -13.4 56.3 -10.3 775 188 D A H X>S+ 0 0 0 -4,-2.8 6,-1.7 2,-0.2 4,-1.1 0.832 110.0 50.3 -62.5 -35.2 -12.8 58.5 -7.2 776 189 D K H <5S+ 0 0 84 -4,-2.3 -2,-0.2 -3,-0.2 -1,-0.2 0.886 112.1 49.1 -70.9 -36.9 -16.6 59.0 -6.5 777 190 D R H <5S+ 0 0 124 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.830 114.7 44.6 -64.9 -32.4 -17.1 55.2 -6.8 778 191 D S H <5S- 0 0 83 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.618 111.0-113.3 -92.8 -14.6 -14.2 54.4 -4.5 779 192 D G T <5S+ 0 0 61 -4,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.377 84.6 118.4 96.8 -4.8 -15.0 56.9 -1.8 780 193 D A S