==== 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 ELECTRON TRANSPORT 02-NOV-05 2D5M . COMPND 2 MOLECULE: FLAVOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS STR. 'MIYAZAKI . AUTHOR Y.UEDA,N.SHIBATA,Y.HIGUCHI . 183 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 60.1 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 . 59 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.2 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 . 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 . 1 0.5 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 . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 10.9 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+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 1 0 1 0 1 0 0 0 0 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 . 2 1 2 2 1 2 0 0 0 1 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 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 1 A M 0 0 235 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.1 39.3 21.9 -9.6 2 2 A K - 0 0 202 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.609 360.0-151.5 -91.4 149.3 36.6 20.3 -7.3 3 3 A K - 0 0 174 -2,-0.2 2,-0.5 0, 0.0 0, 0.0 -0.947 19.8-123.0-111.2 139.2 37.1 18.7 -3.9 4 4 A S - 0 0 103 -2,-0.4 3,-0.1 1,-0.1 0, 0.0 -0.709 22.7-177.4 -81.7 123.6 34.8 15.9 -2.6 5 5 A L - 0 0 98 -2,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.376 40.8-131.0 -95.0 -3.1 33.2 16.7 0.8 6 6 A G - 0 0 54 1,-0.1 2,-1.3 2,-0.1 -1,-0.3 -0.341 53.0 -22.2 84.0-166.5 31.5 13.2 0.9 7 7 A A S S+ 0 0 113 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.651 84.7 145.6 -87.7 90.4 27.9 12.4 1.6 8 8 A R - 0 0 147 -2,-1.3 2,-2.0 2,-0.1 -3,-0.1 -0.923 62.6-109.2-127.8 153.4 26.7 15.4 3.6 9 9 A T + 0 0 88 -2,-0.3 2,-0.5 2,-0.0 -2,-0.1 -0.553 68.3 144.1 -77.7 74.7 23.5 17.3 3.9 10 10 A L + 0 0 60 -2,-2.0 2,-0.3 155,-0.1 -2,-0.1 -0.962 7.7 122.0-130.3 111.7 25.0 20.2 2.0 11 11 A A - 0 0 60 -2,-0.5 3,-0.0 153,-0.0 -2,-0.0 -0.953 48.3 -99.3-159.7 157.4 23.0 22.4 -0.4 12 12 A Y S S+ 0 0 152 -2,-0.3 2,-0.1 1,-0.2 151,-0.1 -0.992 86.1 22.9-140.3 149.4 22.2 26.1 -0.7 13 13 A P + 0 0 101 0, 0.0 -1,-0.2 0, 0.0 150,-0.1 0.717 67.1 172.0 -71.5 163.0 20.0 27.9 -0.1 14 14 A T E -A 162 0A 15 148,-1.0 148,-2.6 -2,-0.1 21,-0.1 -0.953 29.3-119.7-123.0 150.3 18.0 26.1 2.6 15 15 A P E -A 161 0A 32 0, 0.0 2,-0.3 0, 0.0 146,-0.1 -0.281 2.8-141.0 -83.4 171.6 15.1 27.9 4.4 16 16 A L + 0 0 8 144,-0.6 2,-0.4 55,-0.1 144,-0.2 -0.757 32.2 176.2-129.9 82.1 14.6 28.8 8.0 17 17 A F E -C 33 0B 23 16,-2.5 16,-2.4 -2,-0.3 2,-0.8 -0.769 25.4-145.5 -88.2 134.3 10.9 28.1 8.6 18 18 A L E -CD 32 69B 0 51,-2.5 51,-2.5 -2,-0.4 2,-0.6 -0.867 18.0-150.7 -97.9 111.2 9.3 28.5 12.0 19 19 A V E -CD 31 68B 0 12,-2.6 12,-1.4 -2,-0.8 2,-0.4 -0.741 13.2-157.1 -87.0 118.1 6.6 25.8 12.1 20 20 A G E +CD 30 67B 0 47,-2.2 47,-1.9 -2,-0.6 2,-0.3 -0.813 21.0 154.6-105.6 138.6 3.8 26.9 14.4 21 21 A T E -C 29 0B 1 8,-1.8 8,-2.5 -2,-0.4 2,-0.4 -0.937 36.5-124.0-149.0 164.6 1.3 24.7 16.1 22 22 A Y E -C 28 0B 34 85,-0.4 41,-0.1 -2,-0.3 43,-0.1 -0.974 26.5-141.0-109.3 136.3 -1.1 24.3 19.1 23 23 A D > - 0 0 0 4,-2.1 3,-2.2 -2,-0.4 33,-0.0 -0.158 42.5 -81.8 -80.2-175.4 -0.7 21.4 21.4 24 24 A R T 3 S+ 0 0 119 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 133.5 49.1 -64.8 -21.3 -3.7 19.5 23.0 25 25 A D T 3 S- 0 0 110 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.123 121.8-106.0-101.9 15.1 -4.0 22.2 25.7 26 26 A S < + 0 0 74 -3,-2.2 -2,-0.1 1,-0.3 -5,-0.0 0.644 66.8 154.9 68.3 21.0 -3.9 25.0 23.1 27 27 A R - 0 0 69 1,-0.0 -4,-2.1 60,-0.0 -1,-0.3 -0.670 41.8-127.4 -75.4 127.2 -0.4 26.0 24.1 28 28 A P E +C 22 0B 19 0, 0.0 65,-0.4 0, 0.0 64,-0.3 -0.516 32.2 179.4 -79.7 146.7 1.3 27.7 21.1 29 29 A N E -C 21 0B 5 -8,-2.5 -8,-1.8 -2,-0.2 2,-0.3 -0.947 17.5-166.1-142.7 158.5 4.6 26.5 19.8 30 30 A I E -C 20 0B 0 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.977 8.2-179.6-141.1 142.8 7.2 27.2 17.1 31 31 A M E -C 19 0B 16 -12,-1.4 -12,-2.6 -2,-0.3 2,-0.4 -0.937 30.5-110.5-133.4 157.8 10.2 25.1 15.9 32 32 A A E -C 18 0B 25 50,-0.5 2,-0.4 -2,-0.3 -14,-0.2 -0.760 32.8-178.0 -89.8 137.3 12.8 25.7 13.3 33 33 A A E +C 17 0B 8 -16,-2.4 -16,-2.5 -2,-0.4 3,-0.1 -0.986 22.0 160.5-136.6 125.1 12.8 23.6 10.1 34 34 A A + 0 0 18 -2,-0.4 2,-1.8 -18,-0.2 -1,-0.1 0.512 65.2 83.7-110.9 -17.0 15.3 23.8 7.2 35 35 A W S S+ 0 0 124 14,-0.3 14,-2.7 -21,-0.1 2,-0.3 -0.607 83.5 91.4 -86.5 76.2 14.5 20.3 5.7 36 36 A A E +E 48 0B 26 -2,-1.8 2,-0.3 12,-0.2 12,-0.2 -0.986 40.0 147.4-163.5 159.3 11.6 21.8 3.8 37 37 A G E -E 47 0B 26 10,-1.9 10,-2.6 -2,-0.3 2,-0.2 -0.953 54.4 -59.9 173.9 172.2 10.5 23.5 0.6 38 38 A I E +E 46 0B 132 -2,-0.3 8,-0.3 8,-0.2 3,-0.1 -0.547 45.4 177.2 -65.1 137.2 7.6 23.9 -1.8 39 39 A C E + 0 0 58 6,-2.2 2,-0.3 1,-0.3 7,-0.2 0.679 55.2 18.6-114.9 -27.2 6.6 20.5 -3.2 40 40 A C E > -E 45 0B 61 5,-1.2 5,-2.1 1,-0.1 -1,-0.3 -0.997 42.0-154.3-148.7 151.8 3.5 21.1 -5.4 41 41 A S E 5S+E 44 0B 110 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.564 82.7 77.4 -96.3 -16.1 1.7 23.8 -7.3 42 42 A Q T 5S+ 0 0 166 1,-0.7 -1,-0.2 3,-0.0 3,-0.0 -0.862 118.3 6.9-137.7 107.5 -1.7 21.9 -7.3 43 43 A P T 5S- 0 0 39 0, 0.0 -1,-0.7 0, 0.0 2,-0.1 0.743 109.2-112.7 -67.2 161.4 -2.7 22.4 -4.5 44 44 A P E 5 +E 41 0B 56 0, 0.0 92,-2.8 0, 0.0 2,-0.3 -0.401 55.2 172.9 -60.4 127.5 0.0 24.8 -3.5 45 45 A S E < -EF 40 135B 2 -5,-2.1 -6,-2.2 90,-0.3 -5,-1.2 -0.984 32.5-151.3-146.3 150.7 1.9 22.8 -0.9 46 46 A I E -EF 38 134B 4 88,-2.1 88,-3.0 -2,-0.3 2,-0.4 -0.982 14.0-148.6-122.0 137.1 5.0 22.8 1.3 47 47 A A E -EF 37 133B 7 -10,-2.6 -10,-1.9 -2,-0.4 2,-0.4 -0.863 14.8-175.7-101.5 136.4 6.8 19.7 2.6 48 48 A V E -EF 36 132B 0 84,-2.5 84,-2.9 -2,-0.4 2,-0.9 -0.998 19.5-144.2-135.0 128.1 8.5 19.7 6.0 49 49 A S + 0 0 42 -14,-2.7 2,-0.4 -2,-0.4 -14,-0.3 -0.846 28.4 176.6 -93.0 104.3 10.5 16.8 7.4 50 50 A L - 0 0 4 -2,-0.9 2,-0.1 -17,-0.1 -2,-0.1 -0.938 26.2-123.9-115.4 129.4 9.9 16.8 11.1 51 51 A R > - 0 0 164 -2,-0.4 3,-1.8 1,-0.1 6,-0.4 -0.359 17.5-122.5 -71.4 148.8 11.3 14.2 13.5 52 52 A K T 3 S+ 0 0 138 1,-0.3 6,-0.2 5,-0.1 -1,-0.1 0.763 108.4 64.6 -61.1 -26.6 9.1 12.1 15.7 53 53 A A T 3 S+ 0 0 88 4,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.688 81.4 98.5 -71.5 -19.5 10.9 13.4 18.8 54 54 A T S <> S- 0 0 18 -3,-1.8 4,-1.0 1,-0.2 3,-0.3 -0.458 74.4-137.0 -72.7 145.3 9.8 17.0 18.3 55 55 A Y H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.879 105.4 62.6 -64.1 -36.4 6.8 18.2 20.3 56 56 A T H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 94.3 60.5 -56.8 -38.3 5.6 19.8 17.0 57 57 A Y H > S+ 0 0 27 -6,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.927 105.6 47.5 -52.1 -54.2 5.3 16.4 15.3 58 58 A R H X S+ 0 0 104 -4,-1.0 4,-1.8 -3,-0.3 -1,-0.2 0.946 111.4 50.6 -57.9 -47.9 2.7 15.3 17.9 59 59 A S H X S+ 0 0 1 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.898 109.9 49.4 -62.0 -39.1 0.8 18.6 17.6 60 60 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.918 109.0 52.3 -67.8 -40.0 0.5 18.3 13.8 61 61 A T H < S+ 0 0 63 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.868 116.0 42.5 -62.2 -30.7 -0.6 14.7 14.0 62 62 A E H < S+ 0 0 82 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.876 126.0 27.3 -83.7 -42.0 -3.4 15.8 16.4 63 63 A R H < S- 0 0 72 -4,-2.7 44,-0.2 2,-0.2 -3,-0.2 0.630 85.4-139.7-101.3 -16.8 -4.6 19.0 14.8 64 64 A G S < S+ 0 0 26 -4,-2.4 58,-2.4 -5,-0.4 2,-0.3 0.816 71.3 89.3 66.1 28.7 -3.9 18.5 11.1 65 65 A A E + G 0 121B 5 56,-0.3 2,-0.3 -6,-0.2 -43,-0.3 -0.989 42.9 161.6-157.6 147.4 -2.7 22.1 10.8 66 66 A F E - G 0 120B 1 54,-2.0 54,-2.7 -2,-0.3 2,-0.3 -0.968 22.5-136.0-159.8 163.0 0.4 24.2 11.1 67 67 A T E -DG 20 119B 0 -47,-1.9 -47,-2.2 42,-0.3 2,-0.4 -0.832 7.3-143.7-116.3 163.5 1.8 27.5 10.0 68 68 A I E -DG 19 118B 0 50,-2.3 50,-2.6 -2,-0.3 2,-0.4 -0.992 15.8-169.7-123.2 121.7 5.2 28.6 8.6 69 69 A S E -DG 18 117B 0 -51,-2.5 -51,-2.5 -2,-0.4 48,-0.2 -0.925 13.3-144.7-110.6 135.3 6.4 32.0 9.8 70 70 A I E - G 0 116B 21 46,-2.7 46,-0.8 -2,-0.4 2,-0.2 -0.881 16.4-140.5-105.1 115.0 9.5 33.4 8.0 71 71 A P - 0 0 0 0, 0.0 89,-1.1 0, 0.0 2,-0.2 -0.472 5.3-140.5 -74.5 149.1 11.8 35.4 10.2 72 72 A S B > -I 159 0C 20 87,-0.2 3,-2.2 -2,-0.2 86,-0.1 -0.467 42.2 -90.3 -88.8 169.3 13.5 38.6 9.1 73 73 A R G > S+ 0 0 147 85,-0.8 3,-1.6 1,-0.3 4,-0.3 0.811 123.9 66.6 -61.7 -27.6 17.1 39.2 10.2 74 74 A A G 3 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.708 104.8 45.5 -60.9 -20.7 16.0 40.9 13.4 75 75 A Y G <> S+ 0 0 58 -3,-2.2 4,-2.5 1,-0.1 -1,-0.3 0.126 75.6 111.1-111.1 18.9 14.6 37.6 14.6 76 76 A V H <> S+ 0 0 41 -3,-1.6 4,-2.3 1,-0.2 5,-0.2 0.895 81.0 48.9 -62.1 -38.9 17.5 35.3 13.7 77 77 A R H > S+ 0 0 212 -4,-0.3 4,-2.6 -3,-0.2 -1,-0.2 0.908 111.4 50.1 -68.2 -37.4 18.3 34.7 17.4 78 78 A H H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.911 110.6 49.3 -63.2 -46.0 14.6 33.9 18.2 79 79 A A H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.915 110.6 50.2 -61.7 -44.5 14.4 31.5 15.3 80 80 A D H >< S+ 0 0 64 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.927 107.5 54.3 -60.1 -44.2 17.6 29.8 16.5 81 81 A Y H >X S+ 0 0 63 -4,-2.6 4,-2.3 1,-0.3 3,-1.7 0.912 104.9 53.5 -53.2 -47.6 16.2 29.5 20.0 82 82 A A H 3< S+ 0 0 2 -4,-2.0 -50,-0.5 1,-0.3 -1,-0.3 0.716 108.9 51.4 -62.7 -24.0 13.1 27.8 18.6 83 83 A G T << S+ 0 0 48 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.388 114.1 42.1 -90.6 -2.7 15.4 25.3 16.9 84 84 A I T <4 S+ 0 0 99 -3,-1.7 2,-0.2 -4,-0.4 -2,-0.2 0.729 110.1 51.5-105.4 -43.7 17.4 24.5 20.1 85 85 A Y S < S- 0 0 117 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.1 -0.671 75.6-125.4-105.4 151.1 14.8 24.2 22.8 86 86 A S - 0 0 62 -2,-0.2 3,-0.5 1,-0.1 -3,-0.1 -0.741 2.1-146.7 -96.6 148.0 11.6 22.2 22.9 87 87 A G S > S+ 0 0 1 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.390 74.0 102.5 -87.2 3.2 8.0 23.4 23.6 88 88 A E T 3 S+ 0 0 111 1,-0.3 -1,-0.2 3,-0.0 3,-0.0 0.901 107.1 6.9 -53.3 -43.8 7.0 20.2 25.4 89 89 A N T 3 S+ 0 0 142 -3,-0.5 2,-0.3 1,-0.0 -1,-0.3 -0.059 125.5 68.5-130.8 31.9 7.3 21.9 28.8 90 90 A E < - 0 0 48 -3,-0.7 2,-0.9 -5,-0.0 3,-0.1 -0.975 67.5-137.3-150.9 135.8 8.0 25.6 27.7 91 91 A D > - 0 0 59 -2,-0.3 4,-2.2 1,-0.2 3,-0.1 -0.843 20.6-170.9 -91.1 103.8 6.0 28.3 26.0 92 92 A K H > S+ 0 0 5 -2,-0.9 4,-2.4 -64,-0.3 6,-0.2 0.766 81.9 61.0 -69.8 -27.7 8.6 29.7 23.6 93 93 A F H >>S+ 0 0 4 -65,-0.4 5,-1.9 2,-0.2 4,-1.0 0.926 108.5 44.7 -63.6 -42.0 6.4 32.6 22.7 94 94 A A H 45S+ 0 0 75 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.927 114.2 48.8 -63.6 -45.9 6.5 33.7 26.3 95 95 A S H <5S+ 0 0 64 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 119.0 38.4 -61.3 -39.0 10.2 33.1 26.5 96 96 A L H <5S- 0 0 30 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.495 105.6-121.8 -91.0 -9.5 11.0 35.0 23.3 97 97 A G T <5 + 0 0 60 -4,-1.0 2,-0.2 -3,-0.5 -3,-0.2 0.876 64.9 140.2 65.4 37.1 8.4 37.8 23.8 98 98 A L < - 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