==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUL-05 2BW0 . COMPND 2 MOLECULE: 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.J.OGG,P.STENMARK,C.ARROWSMITH,A.EDWARDS,M.EHN,S.GRASLUND, . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 15.5 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 1 0 0 2 1 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 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 0 PARALLEL BRIDGES PER LADDER . 1 1 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 -2 A Q 0 0 165 0, 0.0 2,-0.5 0, 0.0 187,-0.1 0.000 360.0 360.0 360.0 -89.3 37.6 13.5 42.9 2 -1 A S - 0 0 85 24,-0.1 2,-0.3 184,-0.0 24,-0.2 -0.686 360.0-160.6 -79.8 103.4 33.8 13.7 43.0 3 1 A M - 0 0 3 -2,-0.5 24,-2.4 77,-0.0 2,-0.7 -0.804 26.5-126.8-101.1 151.6 33.3 15.2 39.4 4 2 A K E -a 27 0A 78 -2,-0.3 77,-3.2 22,-0.2 78,-1.5 -0.853 41.4-171.0 -87.7 115.4 30.7 17.1 37.5 5 3 A I E -ab 28 82A 0 22,-3.0 24,-1.8 -2,-0.7 25,-0.9 -0.935 23.3-152.5-118.5 134.5 30.1 15.0 34.3 6 4 A A E -ab 30 83A 0 76,-2.3 78,-2.6 -2,-0.4 2,-0.5 -0.892 17.4-151.9 -96.7 131.2 28.2 15.6 31.1 7 5 A V E -ab 31 84A 0 23,-2.6 25,-2.4 -2,-0.5 2,-0.6 -0.922 13.2-176.3-106.3 122.1 27.0 12.3 29.5 8 6 A I E +a 32 0A 2 76,-2.8 79,-0.5 -2,-0.5 2,-0.3 -0.940 44.5 77.7-119.8 106.8 26.6 12.5 25.7 9 7 A G - 0 0 3 23,-2.1 2,-0.3 -2,-0.6 25,-0.2 -0.947 54.5-128.5-179.0-164.1 25.3 9.2 24.5 10 8 A Q > + 0 0 32 77,-1.0 4,-1.9 -2,-0.3 5,-0.1 -0.952 47.8 40.6-164.4 172.5 22.4 6.8 24.0 11 9 A S H > S- 0 0 37 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.136 97.6 -53.7 71.4 178.4 20.9 3.3 24.5 12 10 A L H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 136.1 60.1 -60.7 -35.7 21.1 0.9 27.3 13 11 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.967 107.9 44.0 -54.7 -49.8 24.9 1.2 27.2 14 12 A G H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.893 112.2 54.3 -60.1 -45.1 24.6 5.0 27.9 15 13 A Q H X S+ 0 0 32 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.908 108.9 47.2 -56.0 -48.0 22.1 4.3 30.6 16 14 A E H X S+ 0 0 61 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.900 111.5 48.6 -64.6 -40.8 24.3 1.9 32.4 17 15 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.966 112.2 51.7 -63.6 -45.3 27.4 4.1 32.3 18 16 A Y H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.932 110.1 48.4 -51.2 -52.7 25.1 6.9 33.6 19 17 A C H X S+ 0 0 33 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.894 111.8 48.9 -59.6 -40.8 23.9 4.8 36.5 20 18 A H H X S+ 0 0 51 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.890 106.9 55.0 -67.6 -37.2 27.4 3.7 37.5 21 19 A L H <>S+ 0 0 1 -4,-2.4 5,-2.1 1,-0.2 -1,-0.2 0.906 110.8 46.3 -63.8 -40.6 28.7 7.2 37.5 22 20 A R H ><5S+ 0 0 101 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.2 0.918 110.1 53.1 -65.4 -41.9 26.0 8.2 39.9 23 21 A K H 3<5S+ 0 0 157 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.848 104.4 56.3 -62.9 -33.3 26.6 5.2 42.1 24 22 A E T 3<5S- 0 0 79 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.475 124.8-101.4 -79.3 -1.3 30.3 6.1 42.3 25 23 A G T < 5S+ 0 0 42 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.511 76.4 135.2 96.3 5.0 29.4 9.5 43.7 26 24 A H < - 0 0 17 -5,-2.1 2,-0.7 -6,-0.2 -1,-0.3 -0.510 54.4-123.1 -82.8 156.6 29.8 11.7 40.6 27 25 A E E -a 4 0A 111 -24,-2.4 -22,-3.0 -2,-0.1 2,-1.0 -0.905 12.2-150.4-100.4 117.0 27.3 14.3 39.7 28 26 A V E -a 5 0A 4 -2,-0.7 -22,-0.2 -24,-0.2 3,-0.1 -0.782 14.6-173.8 -79.9 106.6 25.8 13.9 36.2 29 27 A V E - 0 0 9 -24,-1.8 2,-0.3 -2,-1.0 -23,-0.2 0.693 61.4 -12.6 -76.6 -19.5 25.1 17.5 35.5 30 28 A G E -a 6 0A 0 -25,-0.9 -23,-2.6 23,-0.1 2,-0.4 -0.948 53.7-138.8-176.2 155.8 23.4 16.8 32.2 31 29 A V E -ac 7 55A 0 23,-2.6 25,-2.4 -2,-0.3 2,-0.5 -0.988 8.6-165.6-128.0 131.6 22.6 14.2 29.5 32 30 A F E +ac 8 56A 2 -25,-2.4 -23,-2.1 -2,-0.4 25,-0.2 -0.994 29.6 151.1-117.1 118.4 22.6 14.9 25.7 33 31 A T E - c 0 57A 6 23,-2.7 25,-2.7 -2,-0.5 -23,-0.2 -0.569 43.1 -72.4-136.2-165.0 20.9 12.0 23.8 34 32 A V - 0 0 32 23,-0.2 8,-0.4 -25,-0.2 25,-0.2 -0.558 50.7 -95.4 -98.5 160.4 18.9 11.3 20.6 35 33 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 -0.287 53.7 -81.6 -67.0 159.9 15.3 12.2 19.8 36 34 A D - 0 0 60 5,-0.1 5,-0.2 6,-0.1 2,-0.2 -0.311 46.8-148.2 -53.3 143.6 12.5 9.7 20.4 37 35 A K - 0 0 131 3,-2.6 -3,-0.0 1,-0.1 -1,-0.0 -0.648 69.5 -24.0-166.0 99.0 12.3 7.3 17.5 38 36 A D S S- 0 0 144 -2,-0.2 3,-0.1 0, 0.0 -1,-0.1 0.274 116.8 -44.1-134.9 122.9 9.6 6.5 17.2 39 37 A G S S+ 0 0 81 1,-0.2 2,-0.5 0, 0.0 -3,-0.0 0.335 116.6 100.0 78.0 -4.9 7.0 6.7 20.0 40 38 A K - 0 0 159 0, 0.0 -3,-2.6 0, 0.0 2,-0.2 -0.972 66.7-149.2-113.2 120.2 10.0 5.1 21.9 41 39 A A - 0 0 23 -2,-0.5 -5,-0.1 -5,-0.2 5,-0.0 -0.587 31.7 -96.1 -80.1 147.8 12.2 7.4 24.1 42 40 A D > - 0 0 18 -8,-0.4 4,-2.2 -2,-0.2 5,-0.2 -0.423 29.3-134.1 -59.9 134.9 15.9 6.7 24.6 43 41 A P H > S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.786 104.7 54.8 -68.2 -27.5 16.4 4.7 27.8 44 42 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 110.7 46.9 -68.4 -46.2 19.4 6.9 29.0 45 43 A G H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 113.1 49.3 -57.7 -43.0 17.1 10.0 28.5 46 44 A L H X S+ 0 0 67 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.917 110.8 48.8 -66.1 -40.0 14.3 8.3 30.4 47 45 A E H X S+ 0 0 47 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.927 112.5 47.7 -65.3 -45.3 16.5 7.2 33.3 48 46 A A H X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.6 0.885 108.6 55.2 -64.8 -39.0 18.0 10.7 33.7 49 47 A E H ><5S+ 0 0 96 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.889 103.0 56.5 -58.8 -39.6 14.5 12.2 33.5 50 48 A K H 3<5S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 111.4 44.2 -56.6 -33.2 13.5 9.9 36.5 51 49 A D H 3<5S- 0 0 63 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.482 113.2-117.1 -93.0 -6.9 16.3 11.5 38.4 52 50 A G T <<5 + 0 0 64 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.588 62.8 149.4 75.1 14.4 15.6 15.1 37.4 53 51 A V < - 0 0 13 -5,-2.1 -1,-0.3 -6,-0.2 -23,-0.1 -0.586 60.1 -94.4 -75.4 136.7 19.0 15.4 35.6 54 52 A P - 0 0 53 0, 0.0 -23,-2.6 0, 0.0 2,-0.4 -0.281 45.6-166.6 -50.9 134.8 18.8 17.8 32.7 55 53 A V E -c 31 0A 27 -25,-0.2 2,-0.4 -3,-0.1 -23,-0.2 -0.993 9.7-179.4-132.1 125.7 18.1 16.0 29.4 56 54 A F E -c 32 0A 46 -25,-2.4 -23,-2.7 -2,-0.4 2,-0.5 -0.985 13.9-149.3-127.5 136.4 18.5 17.4 25.9 57 55 A K E +c 33 0A 77 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.919 23.1 161.5-117.1 125.4 17.7 15.6 22.7 58 56 A Y + 0 0 19 -25,-2.7 3,-0.1 -2,-0.5 -2,-0.0 -0.998 29.5 178.8-139.8 143.9 19.5 16.2 19.3 59 57 A S S S+ 0 0 43 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.748 87.6 38.0-100.8 -44.0 20.1 14.5 16.0 60 58 A R - 0 0 184 1,-0.1 -1,-0.3 2,-0.0 3,-0.0 -0.865 59.6-174.1-107.9 145.0 22.2 17.4 14.5 61 59 A W + 0 0 8 -2,-0.4 7,-2.4 30,-0.2 2,-0.3 0.310 60.7 60.7-116.7 1.1 24.7 19.3 16.5 62 60 A R E +H 67 0B 85 5,-0.3 2,-0.3 9,-0.0 5,-0.2 -0.911 44.0 171.2-136.9 155.1 25.7 22.0 14.0 63 61 A A E > S+H 66 0B 50 3,-2.9 3,-2.4 -2,-0.3 0, 0.0 -0.933 73.2 12.2-159.4 151.6 24.6 24.9 11.9 64 62 A K T 3 S- 0 0 197 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 0.835 131.1 -59.9 49.0 35.5 26.3 27.5 9.8 65 63 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.528 121.8 87.5 77.8 6.2 29.5 25.5 10.2 66 64 A Q E < S-H 63 0B 125 -3,-2.4 -3,-2.9 27,-0.0 -1,-0.2 -0.860 90.1 -78.2-130.0 162.4 29.5 25.8 14.0 67 65 A A E -H 62 0B 8 -2,-0.3 -5,-0.3 -5,-0.2 -6,-0.0 -0.365 65.2 -90.9 -54.3 137.5 28.1 24.0 17.0 68 66 A L > - 0 0 42 -7,-2.4 4,-2.4 1,-0.1 3,-0.3 -0.362 30.8-139.1 -51.3 119.7 24.4 24.9 17.4 69 67 A P H > S+ 0 0 103 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.859 101.8 59.2 -55.3 -34.4 24.3 27.9 19.8 70 68 A D H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.926 108.7 42.7 -55.2 -49.8 21.3 26.3 21.6 71 69 A V H > S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 5,-0.2 0.916 112.0 53.8 -70.7 -38.4 23.3 23.3 22.5 72 70 A V H X S+ 0 0 20 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.940 111.0 46.5 -59.9 -45.3 26.3 25.2 23.5 73 71 A A H X S+ 0 0 62 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.947 113.0 47.2 -63.3 -50.8 24.3 27.4 25.9 74 72 A K H < S+ 0 0 70 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.883 116.3 47.1 -54.7 -41.9 22.5 24.5 27.5 75 73 A Y H >< S+ 0 0 7 -4,-2.7 3,-1.2 1,-0.2 5,-0.5 0.917 108.8 52.8 -67.2 -44.2 25.9 22.7 27.8 76 74 A Q H >< S+ 0 0 109 -4,-3.2 3,-0.9 1,-0.3 -2,-0.2 0.841 100.1 62.7 -67.7 -28.9 27.7 25.7 29.3 77 75 A A T 3< S+ 0 0 90 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.786 94.6 64.7 -60.5 -27.8 25.1 26.2 32.0 78 76 A L T < S- 0 0 21 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.714 90.4-142.3 -77.1 -24.9 25.9 22.8 33.5 79 77 A G < - 0 0 36 -3,-0.9 -75,-0.2 -4,-0.5 -3,-0.1 0.831 28.4-172.8 69.1 32.3 29.5 23.5 34.5 80 78 A A - 0 0 15 -5,-0.5 21,-0.4 1,-0.1 -75,-0.2 -0.351 22.0-168.5 -62.7 141.9 30.8 20.0 33.5 81 79 A E S S+ 0 0 69 -77,-3.2 21,-3.2 1,-0.3 2,-0.3 0.582 76.7 21.4 -98.7 -19.5 34.4 19.1 34.4 82 80 A L E -b 5 0A 0 -78,-1.5 -76,-2.3 19,-0.2 2,-0.4 -0.985 67.3-145.0-148.3 140.1 34.5 16.0 32.3 83 81 A N E -bd 6 104A 0 20,-2.0 22,-2.5 -2,-0.3 2,-0.5 -0.929 13.1-164.0-103.9 136.4 32.5 14.8 29.2 84 82 A V E -bd 7 105A 0 -78,-2.6 -76,-2.8 -2,-0.4 22,-0.2 -0.992 4.4-169.5-119.5 125.9 31.8 11.0 29.0 85 83 A L E + d 0 106A 4 20,-2.6 22,-2.4 -2,-0.5 3,-0.3 -0.832 12.7 171.1-115.8 83.8 30.7 9.8 25.5 86 84 A P S S- 0 0 0 0, 0.0 2,-0.2 0, 0.0 -77,-0.1 0.801 74.3 -6.2 -72.0 -24.7 29.6 6.1 26.2 87 85 A F S S+ 0 0 64 -79,-0.5 -77,-1.0 21,-0.0 2,-0.5 -0.676 77.6 172.9-176.4 91.6 27.9 5.2 22.9 88 86 A C - 0 0 34 19,-0.4 -79,-0.1 -3,-0.3 4,-0.1 -0.980 23.9-156.1-125.1 117.1 27.7 8.1 20.6 89 87 A S S S+ 0 0 57 -2,-0.5 2,-0.3 29,-0.1 -1,-0.1 0.495 74.5 21.8 -75.0 -5.7 26.5 7.5 17.0 90 88 A Q S S- 0 0 70 28,-0.1 2,-0.5 27,-0.0 27,-0.0 -0.860 91.2 -79.0-146.1 176.5 28.3 10.6 15.6 91 89 A F - 0 0 134 -2,-0.3 -30,-0.2 52,-0.0 3,-0.1 -0.790 41.0-138.7 -89.8 132.6 31.0 13.1 16.1 92 90 A I - 0 0 10 -2,-0.5 5,-0.0 1,-0.1 -25,-0.0 -0.593 34.3 -91.0 -86.9 142.5 30.3 15.9 18.6 93 91 A P >> - 0 0 5 0, 0.0 4,-2.0 0, 0.0 3,-1.6 -0.245 29.9-122.3 -58.3 144.5 31.5 19.4 17.7 94 92 A M H 3> S+ 0 0 82 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.777 108.3 68.0 -54.4 -30.9 34.9 20.4 18.9 95 93 A E H 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.831 109.2 35.7 -63.7 -29.8 33.5 23.3 20.8 96 94 A I H X4 S+ 0 0 0 -3,-1.6 3,-1.1 2,-0.2 -2,-0.2 0.894 115.3 54.8 -85.8 -46.4 31.8 20.9 23.2 97 95 A I H 3< S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.3 -14,-0.2 0.886 113.5 41.7 -53.5 -42.6 34.5 18.2 23.2 98 96 A S T 3< S+ 0 0 79 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.556 94.0 86.7 -89.0 -5.1 37.2 20.7 24.2 99 97 A A < + 0 0 43 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.896 68.0 80.3 -65.5 -46.0 35.2 22.6 26.9 100 98 A P S > S- 0 0 9 0, 0.0 3,-1.3 0, 0.0 -19,-0.2 -0.336 77.5-123.9 -77.8 153.8 35.7 20.7 30.1 101 99 A R T 3 S+ 0 0 214 -21,-0.4 -19,-0.2 1,-0.3 -20,-0.1 0.851 113.0 39.4 -49.7 -49.3 38.7 20.9 32.5 102 100 A H T 3 S- 0 0 66 -21,-3.2 -1,-0.3 1,-0.3 -20,-0.2 0.447 109.6-130.4 -87.5 -2.1 39.4 17.2 32.3 103 101 A G < - 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