==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-DEC-05 2FHK . COMPND 2 MOLECULE: FORMYLMETHANOFURAN--TETRAHYDROMETHANOPTERIN . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOPYRUS KANDLERI; . AUTHOR P.ACHARYA,E.WARKENTIN,R.K.THAUER,S.SHIMA,U.ERMLER . 1184 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 848 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 319 26.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 95 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 4 0 0 0 0 0 4 0 0 7 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 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 . 4 12 8 16 4 8 0 5 3 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 . 8 0 0 0 0 0 0 0 0 0 0 0 0 0 4 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 M 0 0 98 0, 0.0 7,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.2 0.1 55.1 98.7 2 2 A E E -A 7 0A 119 5,-0.2 2,-0.5 273,-0.0 5,-0.2 -0.993 360.0-160.7-131.2 141.6 -1.4 55.5 95.3 3 3 A I E > S-A 6 0A 26 3,-2.3 3,-1.7 -2,-0.4 293,-0.0 -0.985 88.5 -21.4-118.0 116.6 -2.4 58.5 93.2 4 4 A N T 3 S- 0 0 107 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.903 130.7 -49.4 46.6 48.2 -4.9 57.5 90.5 5 5 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.554 111.7 127.1 72.3 9.1 -3.7 53.9 90.8 6 6 A V E < -A 3 0A 7 -3,-1.7 -3,-2.3 262,-0.1 -1,-0.2 -0.879 62.6-120.6-102.5 126.9 -0.1 54.9 90.5 7 7 A E E -Ab 2 275A 99 267,-1.4 269,-2.9 -2,-0.5 2,-0.7 -0.427 18.3-154.3 -66.0 126.3 2.3 53.7 93.3 8 8 A I E - b 0 276A 4 -7,-2.6 269,-0.2 -2,-0.2 2,-0.1 -0.928 19.7-133.7-100.3 114.5 4.1 56.4 95.2 9 9 A E - 0 0 56 267,-2.7 2,-2.1 -2,-0.7 283,-0.2 -0.433 14.7-120.5 -68.8 138.1 7.3 55.0 96.6 10 10 A D S S+ 0 0 119 -2,-0.1 2,-0.2 282,-0.1 -1,-0.1 -0.560 77.2 102.4 -77.6 77.5 8.1 55.8 100.2 11 11 A T - 0 0 17 -2,-2.1 281,-2.1 279,-0.1 282,-0.4 -0.721 59.5-120.9-139.9-167.0 11.4 57.5 99.5 12 12 A F E -P 291 0B 30 279,-0.3 2,-0.5 -2,-0.2 279,-0.2 -0.985 12.5-121.0-143.8 155.2 12.8 61.0 99.2 13 13 A A E -P 290 0B 0 277,-2.3 277,-2.6 -2,-0.3 2,-0.7 -0.827 27.4-145.3 -87.4 132.1 14.5 63.5 96.9 14 14 A E E +P 289 0B 2 265,-1.9 275,-0.2 -2,-0.5 2,-0.2 -0.903 27.0 177.4-102.3 115.0 17.9 64.7 98.2 15 15 A A E -P 288 0B 0 273,-1.7 273,-2.1 -2,-0.7 272,-1.9 -0.649 14.8-135.8-118.9 170.2 18.5 68.3 97.3 16 16 A F E -C 165 0A 62 149,-3.2 149,-3.5 270,-0.2 2,-0.2 -0.849 22.1-103.3-128.4 153.7 21.2 70.9 97.9 17 17 A E E +C 164 0A 106 -2,-0.3 2,-0.3 147,-0.2 147,-0.2 -0.547 49.3 170.3 -64.7 141.6 21.8 74.5 98.8 18 18 A A E -C 163 0A 10 145,-1.3 145,-3.8 -2,-0.2 2,-0.2 -0.973 36.3-108.2-156.3 147.5 22.7 76.5 95.7 19 19 A K E -CD 162 79A 50 60,-2.0 60,-2.3 -2,-0.3 2,-0.3 -0.568 42.8-178.3 -78.0 140.4 23.2 80.1 94.7 20 20 A M E -CD 161 78A 0 141,-2.1 141,-2.3 -2,-0.2 2,-0.3 -0.995 20.4-165.3-143.3 145.8 20.5 81.5 92.5 21 21 A A E -CD 160 77A 0 56,-2.6 56,-1.8 -2,-0.3 2,-0.4 -0.865 11.5-150.9-120.8 161.3 19.5 84.7 90.7 22 22 A R E - D 0 76A 16 137,-0.5 86,-2.8 -2,-0.3 2,-0.4 -0.985 15.6-170.6-138.5 121.6 16.1 85.6 89.1 23 23 A V E -ED 107 75A 0 52,-2.1 52,-2.8 -2,-0.4 2,-0.6 -0.922 17.1-145.0-121.7 135.5 16.0 87.9 86.1 24 24 A L E -ED 106 74A 10 82,-3.9 82,-3.1 -2,-0.4 2,-0.5 -0.906 17.1-166.0 -97.0 121.3 13.0 89.5 84.4 25 25 A I E -ED 105 73A 0 48,-3.0 48,-2.2 -2,-0.6 2,-0.3 -0.934 8.2-178.3-106.6 122.2 13.5 89.8 80.6 26 26 A T E +ED 104 72A 0 78,-1.6 78,-2.5 -2,-0.5 2,-0.3 -0.810 6.3 165.0-114.2 161.8 11.2 92.2 78.8 27 27 A A - 0 0 0 44,-1.7 75,-0.1 -2,-0.3 76,-0.1 -0.904 55.4 -77.7-158.9-178.3 11.1 92.8 75.1 28 28 A A S S- 0 0 0 -2,-0.3 2,-0.3 73,-0.2 74,-0.1 0.798 113.5 -0.2 -63.5 -29.2 8.9 94.3 72.3 29 29 A S S > S- 0 0 3 42,-0.1 4,-2.0 41,-0.1 5,-0.1 -0.953 77.6-101.7-149.5 167.8 6.8 91.2 72.4 30 30 A H H > S+ 0 0 54 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.881 121.4 59.0 -56.0 -40.8 6.5 87.8 74.2 31 31 A K H > S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.912 109.1 40.9 -54.3 -49.7 8.1 86.3 71.0 32 32 A W H > S+ 0 0 18 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.796 112.5 55.7 -75.0 -28.3 11.3 88.5 71.3 33 33 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.947 109.4 46.7 -64.3 -48.4 11.4 88.0 75.1 34 34 A M H X S+ 0 0 37 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.821 105.3 60.7 -62.4 -36.3 11.4 84.2 74.5 35 35 A I H X S+ 0 0 45 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.936 111.3 39.6 -53.2 -50.4 14.1 84.6 71.9 36 36 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.892 114.6 54.7 -66.4 -43.3 16.4 86.1 74.5 37 37 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.919 107.3 47.8 -56.5 -51.9 15.3 83.6 77.2 38 38 A K H X S+ 0 0 84 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.872 115.1 46.5 -61.6 -39.8 16.0 80.5 75.2 39 39 A E H >< S+ 0 0 21 -4,-1.4 301,-2.8 -5,-0.3 3,-0.7 0.938 114.7 46.0 -65.7 -47.6 19.5 81.8 74.3 40 40 A A H 3< S+ 0 0 1 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.735 117.5 42.1 -70.6 -26.8 20.3 82.9 77.9 41 41 A T H 3< S+ 0 0 6 -4,-2.0 13,-0.3 -5,-0.2 3,-0.3 0.391 93.3 104.5-104.2 -0.0 19.1 79.7 79.6 42 42 A G S << S+ 0 0 1 -3,-0.7 294,-0.2 -4,-0.6 295,-0.2 -0.196 71.6 32.8 -74.5 173.4 20.6 77.2 77.0 43 43 A F S S+ 0 0 0 293,-2.9 9,-0.4 292,-0.1 -1,-0.2 0.917 97.0 104.4 38.9 54.4 23.7 75.1 77.6 44 44 A G + 0 0 0 -3,-0.3 10,-2.6 155,-0.2 3,-0.1 -0.235 26.5 115.6-159.0 53.1 22.6 75.0 81.3 45 45 A T S S+ 0 0 0 1,-0.3 2,-0.3 8,-0.2 155,-0.1 0.821 84.9 3.9 -88.9 -40.3 21.1 71.7 82.3 46 46 A S >> - 0 0 8 6,-0.3 4,-2.2 153,-0.1 3,-0.8 -0.995 53.8-135.0-154.1 137.1 23.7 70.5 84.9 47 47 A V T 34 S+ 0 0 45 -2,-0.3 6,-0.1 1,-0.2 -1,-0.0 0.482 92.5 90.3 -72.3 -2.0 26.8 71.9 86.5 48 48 A I T 34 S- 0 0 72 1,-0.1 -1,-0.2 4,-0.1 344,-0.0 0.965 123.3 -18.4 -55.9 -51.8 28.3 68.4 85.8 49 49 A M T <4 S+ 0 0 63 -3,-0.8 -2,-0.2 3,-0.1 -1,-0.1 0.298 122.6 88.4-141.4 8.3 29.6 69.7 82.5 50 50 A C S < S- 0 0 8 -4,-2.2 -6,-0.1 342,-0.1 -7,-0.1 -0.755 79.1-122.4 -98.7 155.7 27.5 72.9 81.8 51 51 A P S S- 0 0 29 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 0.658 86.8 -10.3 -70.2 -17.1 28.5 76.3 83.1 52 52 A A - 0 0 0 -9,-0.4 2,-0.5 -6,-0.2 -6,-0.3 -0.950 65.3-106.5-162.1 176.9 25.3 76.8 85.0 53 53 A E E +F 78 0A 30 25,-2.3 25,-2.7 -2,-0.3 2,-0.3 -0.982 51.1 160.8-117.7 115.1 21.8 75.5 85.7 54 54 A A E +F 77 0A 1 -10,-2.6 2,-0.3 -2,-0.5 23,-0.2 -0.917 7.4 143.7-136.5 158.6 19.2 77.8 84.1 55 55 A G E -F 76 0A 7 21,-1.8 21,-2.4 -2,-0.3 2,-0.3 -0.977 48.3 -72.3-178.2 170.6 15.5 77.8 83.0 56 56 A I E +F 75 0A 49 -2,-0.3 142,-0.4 19,-0.2 19,-0.3 -0.616 33.6 179.6 -77.6 137.3 12.3 79.7 82.6 57 57 A D S S+ 0 0 5 17,-3.3 2,-0.6 -2,-0.3 18,-0.2 0.809 74.7 15.4 -93.8 -77.6 10.4 80.5 85.8 58 58 A C - 0 0 30 16,-0.4 16,-2.5 1,-0.1 -1,-0.3 -0.910 63.1-164.0-105.3 114.9 7.3 82.5 84.6 59 59 A G S S+ 0 0 33 -2,-0.6 2,-0.4 132,-0.3 -1,-0.1 0.742 77.5 39.9 -69.0 -25.6 6.6 82.2 80.9 60 60 A Y + 0 0 77 13,-0.1 13,-0.2 11,-0.0 -1,-0.2 -0.957 56.7 175.0-133.9 114.3 4.2 85.2 80.9 61 61 A V B -G 72 0A 20 11,-2.6 11,-2.0 -2,-0.4 5,-0.1 -0.981 37.9-120.4-111.0 119.0 4.6 88.5 82.8 62 62 A P > - 0 0 24 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.321 16.6-123.8 -58.2 140.3 1.8 90.9 81.9 63 63 A P G > S+ 0 0 4 0, 0.0 3,-1.1 0, 0.0 6,-0.3 0.808 110.7 62.6 -50.5 -34.3 3.1 94.2 80.4 64 64 A E G 3 S+ 0 0 107 1,-0.2 6,-0.0 5,-0.1 1016,-0.0 0.576 103.3 49.6 -73.2 -7.7 1.2 96.1 83.2 65 65 A E G < S+ 0 0 138 -3,-2.1 -1,-0.2 5,-0.1 5,-0.0 0.414 94.1 88.8-107.9 -1.4 3.4 94.4 85.8 66 66 A T S X S- 0 0 10 -3,-1.1 3,-1.1 -4,-0.4 6,-0.0 -0.694 83.2-119.3 -97.0 152.5 6.8 95.1 84.3 67 67 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 73,-0.1 0.732 113.9 38.3 -60.6 -25.8 8.9 98.3 85.0 68 68 A D T 3 S- 0 0 25 2,-0.2 -4,-0.1 69,-0.1 70,-0.0 0.368 110.7-114.7-107.5 1.3 8.8 99.4 81.3 69 69 A G S < S+ 0 0 16 -3,-1.1 1091,-0.2 -6,-0.3 -5,-0.1 0.693 75.6 123.4 71.9 20.9 5.3 98.3 80.5 70 70 A R S S- 0 0 31 -7,-0.1 -1,-0.2 -8,-0.1 -2,-0.2 -0.758 72.7 -81.8-113.1 156.2 6.4 95.7 78.0 71 71 A P - 0 0 3 0, 0.0 -44,-1.7 0, 0.0 2,-0.3 -0.264 57.0-167.7 -53.2 140.5 5.8 91.9 77.8 72 72 A G E -DG 26 61A 2 -11,-2.0 -11,-2.6 -46,-0.2 2,-0.3 -0.883 25.1-164.8-136.0 166.2 8.1 89.9 80.1 73 73 A V E -D 25 0A 0 -48,-2.2 -48,-3.0 -2,-0.3 2,-0.4 -0.988 19.5-138.4-144.0 136.7 9.4 86.5 81.1 74 74 A T E -D 24 0A 7 -16,-2.5 -17,-3.3 -2,-0.3 -16,-0.4 -0.862 21.1-177.6-102.9 139.2 11.2 85.5 84.2 75 75 A I E -DF 23 56A 1 -52,-2.8 -52,-2.1 -2,-0.4 2,-0.4 -0.811 14.0-145.7-124.3 163.8 14.2 83.2 84.3 76 76 A M E -DF 22 55A 0 -21,-2.4 -21,-1.8 -2,-0.3 2,-0.4 -0.996 7.3-166.2-132.6 140.0 16.4 81.7 87.0 77 77 A I E -DF 21 54A 0 -56,-1.8 -56,-2.6 -2,-0.4 2,-0.3 -0.993 15.3-178.6-126.9 132.1 20.2 81.0 86.9 78 78 A G E +DF 20 53A 1 -25,-2.7 -25,-2.3 -2,-0.4 2,-0.3 -0.930 13.7 167.4-135.0 156.3 21.9 78.8 89.5 79 79 A H E -D 19 0A 10 -60,-2.3 -60,-2.0 -2,-0.3 6,-0.1 -0.953 40.4-124.5-161.3 148.3 25.3 77.4 90.5 80 80 A N S S+ 0 0 107 -2,-0.3 2,-0.5 -62,-0.2 -60,-0.1 0.732 101.8 58.7 -64.1 -23.2 26.8 75.7 93.6 81 81 A D S > S- 0 0 61 1,-0.1 4,-2.0 -62,-0.1 3,-0.2 -0.948 72.6-151.1-116.1 126.3 29.5 78.4 93.7 82 82 A E H > S+ 0 0 37 -2,-0.5 4,-2.1 1,-0.2 5,-0.1 0.842 96.2 53.8 -65.0 -37.7 28.5 82.1 94.0 83 83 A D H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 110.4 47.0 -63.6 -39.4 31.5 83.5 92.1 84 84 A E H > S+ 0 0 100 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.867 109.6 54.5 -70.5 -37.0 30.8 81.2 89.1 85 85 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.898 107.0 50.6 -59.4 -43.2 27.1 82.3 89.3 86 86 A K H X S+ 0 0 48 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.906 111.1 48.6 -64.0 -41.7 28.2 86.0 89.1 87 87 A E H X S+ 0 0 98 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.913 111.1 50.9 -59.7 -44.2 30.3 85.2 86.1 88 88 A Q H X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.847 107.6 52.8 -66.1 -35.2 27.4 83.3 84.5 89 89 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.4 0.943 112.4 44.6 -62.0 -48.7 25.1 86.3 85.1 90 90 A L H X S+ 0 0 31 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.899 117.6 45.0 -61.4 -45.4 27.5 88.6 83.3 91 91 A D H X S+ 0 0 13 -4,-2.5 4,-2.4 3,-0.2 5,-0.3 0.939 117.3 40.9 -67.0 -51.7 28.1 86.2 80.5 92 92 A R H X>S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 5,-0.6 0.905 121.3 40.9 -70.4 -43.5 24.5 85.2 79.8 93 93 A I H X>S+ 0 0 2 -4,-2.2 5,-2.9 -5,-0.3 4,-1.2 0.926 121.1 44.2 -67.2 -43.7 23.0 88.7 80.2 94 94 A G H <5S+ 0 0 4 -4,-1.9 -2,-0.2 -5,-0.4 -3,-0.2 0.823 125.8 29.7 -71.9 -34.2 25.9 90.4 78.3 95 95 A Q H <5S+ 0 0 22 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.676 134.3 26.2 -96.9 -22.4 26.1 87.8 75.5 96 96 A C H <5S+ 0 0 0 -4,-1.6 -56,-0.2 -5,-0.3 -3,-0.2 0.656 129.2 31.0-120.2 -24.3 22.6 86.6 75.2 97 97 A V T < S- 0 0 1 402,-0.2 3,-1.1 403,-0.1 402,-0.1 -0.507 88.5 -96.7 -73.9 132.1 19.0 90.0 71.7 101 101 A P T 3 S- 0 0 0 0, 0.0 -73,-0.2 0, 0.0 -65,-0.2 -0.190 95.2 -15.6 -50.6 131.3 16.6 92.4 69.8 102 102 A T T 3 S+ 0 0 8 1,-0.2 -69,-0.1 -75,-0.1 -76,-0.1 0.216 96.0 141.4 64.6 -10.3 14.6 94.8 72.1 103 103 A A < - 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