==== 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 OXIDOREDUCTASE 21-FEB-06 2CFI . COMPND 2 MOLECULE: 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.KURSULA,P.STENMARK,C.ARROWSMITH,A.EDWARDS,M.EHN,S.GRASLUND . 310 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 63.9 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 . 49 15.8 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 . 3 1.0 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 . 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 . 23 7.4 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 18.7 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 0 3 0 0 0 1 0 1 0 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 2 2 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 F 0 0 148 0, 0.0 2,-0.2 0, 0.0 187,-0.2 0.000 360.0 360.0 360.0 164.3 39.3 10.6 44.7 2 -1 A Q - 0 0 68 182,-0.1 2,-0.3 2,-0.0 187,-0.1 -0.801 360.0-130.9-159.7 124.4 37.1 13.5 43.5 3 0 A S - 0 0 78 -2,-0.2 2,-0.3 24,-0.1 24,-0.1 -0.647 38.4-153.8 -69.6 130.0 33.3 13.5 42.9 4 1 A M - 0 0 1 -2,-0.3 24,-2.3 77,-0.0 2,-0.6 -0.827 20.8-125.7-118.9 150.4 32.9 15.0 39.4 5 2 A K E -a 28 0A 70 -2,-0.3 77,-3.0 22,-0.2 78,-1.4 -0.849 41.7-168.9 -89.9 117.8 30.2 17.0 37.5 6 3 A I E -ab 29 83A 0 22,-3.0 24,-1.7 -2,-0.6 25,-0.9 -0.942 23.2-152.4-121.1 135.4 29.7 15.0 34.4 7 4 A A E -ab 31 84A 0 76,-2.4 78,-3.0 -2,-0.4 2,-0.5 -0.901 17.8-152.5 -99.1 125.3 27.9 15.6 31.1 8 5 A V E -ab 32 85A 0 23,-2.6 25,-2.6 -2,-0.5 2,-0.6 -0.895 12.8-176.4-102.0 123.4 26.8 12.4 29.4 9 6 A I E +a 33 0A 2 76,-2.6 79,-0.8 -2,-0.5 80,-0.5 -0.946 43.9 64.6-122.0 105.4 26.4 12.6 25.6 10 7 A G - 0 0 2 23,-2.1 2,-0.3 -2,-0.6 25,-0.2 -0.954 57.4-119.5 178.3-154.0 25.1 9.4 24.1 11 8 A Q > + 0 0 58 -2,-0.3 4,-1.8 23,-0.2 3,-0.1 -0.938 49.1 47.5-162.0 172.7 22.2 6.9 23.7 12 9 A S H > S- 0 0 34 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.108 95.3 -56.2 80.2 177.1 20.8 3.4 24.2 13 10 A L H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.836 135.7 60.0 -60.2 -34.2 20.9 0.9 27.0 14 11 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.960 108.0 43.5 -57.5 -55.1 24.7 1.3 26.9 15 12 A G H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.891 112.5 54.0 -54.3 -45.2 24.4 5.1 27.7 16 13 A Q H X S+ 0 0 30 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.923 109.6 46.9 -55.9 -46.6 21.7 4.4 30.3 17 14 A E H X S+ 0 0 58 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.910 111.2 49.6 -68.4 -39.1 23.9 1.9 32.1 18 15 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.956 111.8 51.2 -62.5 -45.7 27.0 4.2 32.1 19 16 A Y H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.942 110.3 48.1 -55.3 -52.3 24.7 6.9 33.4 20 17 A C H X S+ 0 0 35 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.907 112.5 48.4 -57.0 -43.9 23.4 4.7 36.3 21 18 A H H X S+ 0 0 60 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.866 107.1 55.0 -65.0 -39.4 26.9 3.6 37.3 22 19 A L H <>S+ 0 0 1 -4,-2.5 5,-2.0 -5,-0.2 4,-0.2 0.937 111.3 45.1 -61.5 -42.9 28.3 7.1 37.3 23 20 A R H ><5S+ 0 0 98 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.918 109.3 55.3 -64.6 -42.8 25.6 8.2 39.7 24 21 A K H 3<5S+ 0 0 173 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.823 104.2 56.3 -59.0 -29.3 26.1 5.0 41.9 25 22 A E T 3<5S- 0 0 59 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.457 125.4-101.2 -83.9 -4.4 29.8 6.0 42.2 26 23 A G T < 5S+ 0 0 42 -3,-1.9 -3,-0.2 1,-0.3 2,-0.1 0.457 77.0 134.3 98.9 4.5 28.9 9.4 43.6 27 24 A H < - 0 0 7 -5,-2.0 2,-0.7 -6,-0.2 -1,-0.3 -0.507 55.1-124.1 -82.6 153.8 29.4 11.6 40.6 28 25 A E E -a 5 0A 112 -24,-2.3 -22,-3.0 -2,-0.1 2,-1.0 -0.896 11.9-148.9 -97.6 117.3 26.8 14.2 39.7 29 26 A V E -a 6 0A 4 -2,-0.7 -22,-0.2 -24,-0.2 3,-0.1 -0.764 15.7-174.1 -81.9 104.9 25.4 13.8 36.1 30 27 A V E - 0 0 13 -24,-1.7 2,-0.3 -2,-1.0 -23,-0.2 0.710 61.1 -11.3 -77.2 -20.4 24.7 17.5 35.4 31 28 A G E -a 7 0A 0 -25,-0.9 -23,-2.6 23,-0.1 2,-0.4 -0.954 53.2-139.2-173.7 158.6 23.1 16.8 32.1 32 29 A V E -ac 8 56A 0 23,-2.5 25,-2.4 -2,-0.3 2,-0.5 -0.993 8.9-165.8-125.5 131.4 22.3 14.3 29.3 33 30 A F E +ac 9 57A 2 -25,-2.6 -23,-2.1 -2,-0.4 25,-0.2 -0.987 29.7 150.6-116.9 120.3 22.4 15.0 25.6 34 31 A T E - c 0 58A 7 23,-2.9 25,-2.5 -2,-0.5 -23,-0.2 -0.563 43.1 -71.7-136.5-164.2 20.7 12.2 23.6 35 32 A V - 0 0 23 23,-0.2 8,-0.4 -25,-0.2 25,-0.2 -0.541 45.7-112.3 -96.4 156.1 18.7 11.4 20.4 36 33 A P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.316 42.5 -80.6 -74.6 171.1 15.2 12.4 19.7 37 34 A D - 0 0 73 5,-0.1 2,-0.3 3,-0.1 5,-0.1 -0.861 34.9-172.3 -79.3 138.5 12.2 10.0 19.3 38 35 A K - 0 0 113 -2,-0.5 -3,-0.0 3,-0.2 2,-0.0 -0.230 66.6 -0.6 4.2 123.7 11.7 8.3 16.7 39 36 A D S S- 0 0 154 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 -0.340 110.5 -64.7 177.1 80.5 9.0 6.9 16.9 40 37 A G S S+ 0 0 82 -2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.742 107.4 99.2 -99.0 36.3 7.2 7.0 19.3 41 38 A K - 0 0 181 1,-0.0 -3,-0.2 0, 0.0 2,-0.2 -0.665 63.0-140.9 -73.3 128.0 9.8 5.2 21.4 42 39 A A - 0 0 30 -2,-0.4 -5,-0.1 -5,-0.1 -3,-0.1 -0.607 29.6 -96.3 -87.1 149.8 12.0 7.5 23.7 43 40 A D > - 0 0 18 -8,-0.4 4,-2.5 -2,-0.2 5,-0.2 -0.476 29.5-134.1 -62.8 133.9 15.7 6.8 24.2 44 41 A P H > S+ 0 0 48 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.754 103.7 55.4 -68.3 -23.4 16.1 4.9 27.5 45 42 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.931 111.5 45.2 -68.5 -46.7 19.1 7.1 28.7 46 43 A G H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 113.0 50.0 -62.1 -45.0 16.8 10.1 28.3 47 44 A L H X S+ 0 0 82 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.870 111.8 48.0 -62.5 -36.7 13.9 8.4 30.0 48 45 A E H X S+ 0 0 45 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.900 112.3 48.2 -72.6 -42.3 16.1 7.3 32.9 49 46 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.876 109.0 54.5 -62.5 -39.4 17.6 10.8 33.4 50 47 A E H ><5S+ 0 0 91 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.884 103.7 55.7 -62.1 -39.1 14.1 12.4 33.2 51 48 A K H 3<5S+ 0 0 166 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.837 111.0 44.9 -57.8 -36.8 13.0 10.1 36.1 52 49 A D H 3<5S- 0 0 65 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.447 115.9-113.8 -91.1 -3.8 15.8 11.4 38.2 53 50 A G T <<5 + 0 0 68 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.646 64.7 149.5 77.6 17.3 15.2 15.1 37.3 54 51 A V < - 0 0 13 -5,-2.4 -1,-0.3 -6,-0.1 -23,-0.1 -0.657 59.1 -96.4 -80.9 133.0 18.6 15.3 35.4 55 52 A P - 0 0 52 0, 0.0 -23,-2.5 0, 0.0 2,-0.4 -0.307 44.1-165.0 -52.0 127.8 18.5 17.9 32.5 56 53 A V E -c 32 0A 26 -25,-0.2 2,-0.4 -6,-0.1 -23,-0.2 -0.985 8.8-176.9-122.3 132.5 17.8 16.1 29.2 57 54 A F E -c 33 0A 40 -25,-2.4 -23,-2.9 -2,-0.4 2,-0.5 -0.977 12.7-147.2-130.1 139.6 18.4 17.6 25.8 58 55 A K E -c 34 0A 74 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.934 25.4-175.9-121.6 120.9 17.6 16.0 22.4 59 56 A Y + 0 0 6 -25,-2.5 2,-0.1 -2,-0.5 -2,-0.0 -0.946 40.4 123.1-137.9 158.1 19.5 16.5 19.1 60 57 A S S S+ 0 0 57 -2,-0.3 2,-0.2 -25,-0.2 -1,-0.0 0.162 79.3 75.0-131.1 167.5 20.4 16.4 16.1 61 58 A R + 0 0 137 2,-0.1 2,-0.5 -2,-0.1 -2,-0.1 -0.086 54.1 150.4 62.1-138.4 20.6 19.1 14.8 62 59 A W + 0 0 12 -2,-0.2 7,-1.0 31,-0.0 2,-0.3 -0.213 67.9 43.4 76.9 -39.8 23.9 19.7 16.8 63 60 A R E +H 68 0B 107 -2,-0.5 2,-0.3 5,-0.3 5,-0.2 -0.938 53.7 169.7-135.4 154.1 25.1 22.0 13.9 64 61 A A E > S-H 67 0B 49 3,-2.5 3,-0.8 -2,-0.3 -2,-0.0 -0.908 72.4 -1.4-161.0 145.3 24.0 24.8 11.6 65 62 A K T 3 S- 0 0 210 -2,-0.3 2,-1.2 1,-0.3 3,-0.1 0.882 127.4 -54.5 34.4 58.3 25.9 27.1 9.2 66 63 A G T 3 S+ 0 0 72 1,-0.1 -1,-0.3 3,-0.0 2,-0.1 -0.289 122.6 74.5 88.8 -50.3 29.3 25.6 10.1 67 64 A Q E < S-H 64 0B 147 -2,-1.2 -3,-2.5 -3,-0.8 2,-0.3 -0.261 92.1 -82.6 -93.3 174.6 29.2 26.1 13.9 68 65 A A E -H 63 0B 17 -5,-0.2 -5,-0.3 1,-0.1 -1,-0.1 -0.628 60.4 -92.1 -72.4 134.6 27.4 24.4 16.8 69 66 A L > - 0 0 29 -7,-1.0 4,-1.6 -2,-0.3 5,-0.2 -0.168 29.7-132.4 -44.0 133.7 23.9 25.7 17.3 70 67 A P H > S+ 0 0 113 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.831 103.6 57.7 -64.0 -27.9 24.0 28.5 19.8 71 68 A D H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.955 105.2 45.5 -65.3 -57.2 21.1 26.9 21.7 72 69 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 114.0 50.7 -54.5 -42.2 22.7 23.5 22.4 73 70 A V H X S+ 0 0 30 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.928 109.4 50.8 -63.4 -45.1 25.9 25.2 23.5 74 71 A A H X S+ 0 0 59 -4,-2.0 4,-2.0 2,-0.2 3,-0.2 0.974 109.7 48.8 -53.1 -61.1 24.0 27.5 25.9 75 72 A K H X S+ 0 0 78 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.886 113.7 49.4 -48.5 -42.6 22.2 24.6 27.5 76 73 A Y H >< S+ 0 0 5 -4,-2.3 3,-1.1 -5,-0.2 5,-0.5 0.911 106.8 52.4 -63.8 -44.7 25.5 22.8 27.9 77 74 A Q H >< S+ 0 0 99 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.840 99.7 62.7 -66.9 -33.1 27.5 25.7 29.4 78 75 A A H 3< S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.774 94.0 66.9 -58.7 -26.6 24.9 26.3 32.2 79 76 A L T << S- 0 0 28 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.731 90.3-144.5 -71.6 -27.7 25.6 22.7 33.4 80 77 A G < - 0 0 34 -3,-1.1 -75,-0.2 -4,-0.4 -3,-0.1 0.833 26.4-171.8 65.1 35.3 29.2 23.4 34.6 81 78 A A - 0 0 14 -5,-0.5 21,-0.3 1,-0.1 -75,-0.2 -0.325 22.0-167.2 -63.3 137.6 30.4 20.0 33.6 82 79 A E S S+ 0 0 34 -77,-3.0 21,-3.0 1,-0.3 2,-0.3 0.552 77.7 18.8 -97.8 -17.6 34.0 19.0 34.7 83 80 A L E -b 6 0A 0 -78,-1.4 -76,-2.4 19,-0.2 2,-0.4 -0.977 67.6-143.3-149.7 143.6 34.1 16.0 32.4 84 81 A N E -bd 7 105A 0 20,-2.0 22,-2.6 -2,-0.3 2,-0.5 -0.937 13.4-164.4-103.5 132.1 32.2 14.8 29.3 85 82 A V E -bd 8 106A 0 -78,-3.0 -76,-2.6 -2,-0.4 22,-0.2 -0.985 1.4-167.9-117.0 124.9 31.5 11.1 28.9 86 83 A L E + d 0 107A 4 20,-2.7 22,-2.3 -2,-0.5 -76,-0.2 -0.830 13.0 170.5-112.5 89.1 30.4 9.9 25.5 87 84 A P S S- 0 0 0 0, 0.0 -77,-0.2 0, 0.0 -1,-0.1 0.781 81.3 -7.0 -78.8 -17.0 29.1 6.4 25.7 88 85 A F S S+ 0 0 45 -79,-0.8 -78,-0.2 -74,-0.1 -73,-0.1 0.059 81.8 159.6-168.8 45.3 27.7 6.2 22.1 89 86 A C - 0 0 40 -80,-0.5 3,-0.1 1,-0.1 -78,-0.1 -0.001 18.5-167.2 -61.4 178.9 27.8 9.4 20.3 90 87 A S + 0 0 82 1,-0.3 -1,-0.1 29,-0.1 3,-0.1 0.586 56.4 48.4-135.7 -74.4 27.6 9.8 16.6 91 88 A Q S S- 0 0 73 1,-0.2 -1,-0.3 28,-0.0 -29,-0.0 -0.338 96.1 -79.2 -83.1 161.9 28.5 13.1 14.9 92 89 A F - 0 0 64 -3,-0.1 -1,-0.2 -2,-0.1 52,-0.1 -0.350 44.5-141.3 -55.2 133.0 31.5 15.2 15.6 93 90 A I - 0 0 8 -3,-0.1 5,-0.1 1,-0.0 -1,-0.1 -0.924 30.0-104.9-101.4 124.4 30.9 17.2 18.8 94 91 A P >> - 0 0 16 0, 0.0 4,-2.6 0, 0.0 3,-1.3 -0.125 21.4-122.5 -51.1 145.6 32.3 20.7 18.4 95 92 A M H 3> S+ 0 0 59 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.662 109.0 69.9 -66.7 -18.2 35.5 21.3 20.2 96 93 A E H 34 S+ 0 0 138 2,-0.2 -1,-0.3 3,-0.2 4,-0.2 0.863 113.9 29.7 -65.0 -33.2 33.9 24.2 22.1 97 94 A I H X4 S+ 0 0 0 -3,-1.3 3,-1.1 2,-0.2 -2,-0.2 0.920 122.5 48.9 -85.6 -56.2 31.9 21.5 23.9 98 95 A I H 3< S+ 0 0 9 -4,-2.6 -3,-0.2 1,-0.2 -14,-0.2 0.862 120.9 37.6 -50.6 -40.3 34.5 18.6 23.8 99 96 A S T 3< S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.543 95.0 86.4 -96.1 -3.5 37.2 20.9 25.1 100 97 A A < + 0 0 47 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 0.907 69.3 84.4 -63.8 -45.9 35.2 23.0 27.6 101 98 A P S > S- 0 0 7 0, 0.0 3,-1.6 0, 0.0 -19,-0.2 -0.322 81.2-125.3 -67.8 146.0 35.5 20.7 30.7 102 99 A R T 3 S+ 0 0 162 -21,-0.3 -19,-0.2 1,-0.3 -20,-0.1 0.867 113.9 38.6 -46.8 -48.0 38.5 20.8 33.0 103 100 A H T 3 S- 0 0 44 -21,-3.0 -1,-0.3 1,-0.3 -20,-0.1 0.379 107.3-135.8 -90.4 3.7 39.1 17.0 32.5 104 101 A G < - 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