==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER 08-DEC-99 1DWL . COMPND 2 MOLECULE: FERREDOXIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOMICROBIUM NORVEGICUM; . AUTHOR X.MORELLI,F.GUERLESQUIN,M.CZJZEK,P.N.PALMA . 138 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 66.7 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 . 9 6.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 3 2.2 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 . 17 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.6 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 1 0 0 0 1 0 0 0 1 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 T 0 0 70 0, 0.0 2,-0.9 0, 0.0 58,-0.8 0.000 360.0 360.0 360.0 127.7 -4.1 -10.7 -2.6 2 2 A I E -A 58 0A 6 35,-3.1 2,-1.1 56,-0.2 56,-0.2 -0.920 360.0-164.6 -82.8 106.0 -3.0 -7.4 -1.1 3 3 A V E -A 57 0A 36 54,-3.0 54,-3.6 -2,-0.9 2,-0.9 -0.876 7.6-167.5 -92.6 92.3 -5.0 -7.8 2.1 4 4 A I E -A 56 0A 36 -2,-1.1 52,-0.2 52,-0.3 3,-0.2 -0.866 21.8-146.6 -78.5 108.9 -4.8 -4.3 3.3 5 5 A D S S- 0 0 112 50,-3.0 2,-0.3 -2,-0.9 -1,-0.2 0.844 77.5 -11.4 -75.3 -35.9 -6.1 -5.8 6.5 6 6 A H S S- 0 0 80 49,-0.4 2,-0.3 -3,-0.1 -1,-0.3 -0.836 92.3-113.9-128.6 162.7 -8.0 -2.7 7.2 7 7 A E + 0 0 69 -2,-0.3 2,-0.3 -3,-0.2 24,-0.1 -0.726 49.7 148.2 -84.5 142.7 -7.1 0.2 5.0 8 8 A E + 0 0 75 -2,-0.3 2,-0.3 3,-0.1 22,-0.1 -0.804 14.0 175.1-152.6 160.0 -5.4 3.1 6.6 9 9 A C - 0 0 16 -2,-0.3 3,-0.2 20,-0.2 42,-0.1 -0.785 22.0-161.0-142.4 170.7 -2.9 5.5 5.1 10 10 A I S S- 0 0 61 1,-1.5 62,-2.1 -2,-0.3 2,-0.3 -0.562 73.1 -76.1-144.3 56.9 -1.5 8.5 6.8 11 11 A G S S+ 0 0 1 60,-0.2 -1,-1.5 59,-0.1 2,-0.3 -0.565 80.8 140.4 76.2-162.6 -0.4 9.7 3.4 12 12 A C - 0 0 16 57,-1.7 57,-0.1 -2,-0.3 -1,-0.1 -0.776 33.1-162.5-131.3 -28.5 2.6 8.0 2.0 13 13 A E >> + 0 0 32 -2,-0.3 4,-0.7 13,-0.1 3,-0.5 0.475 56.5 127.9 70.7 -4.3 1.9 7.5 -1.8 14 14 A S G >4 + 0 0 4 1,-0.2 3,-1.7 2,-0.2 4,-0.3 0.978 56.6 46.6 -51.8 -79.0 4.8 5.1 -1.2 15 15 A C G >> S+ 0 0 12 1,-0.3 4,-2.8 2,-0.2 3,-1.1 0.737 96.9 73.9 -57.1 -21.1 3.6 1.7 -2.5 16 16 A V G <4 S+ 0 0 6 -3,-0.5 -1,-0.3 1,-0.3 6,-0.3 0.905 96.6 50.1 -62.8 -38.3 2.3 3.2 -5.8 17 17 A E G << S+ 0 0 62 -3,-1.7 -1,-0.3 -4,-0.7 -2,-0.2 0.350 114.6 45.8 -90.1 9.2 5.9 3.6 -6.9 18 18 A L T <4 S+ 0 0 42 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.648 126.5 26.8-110.4 -42.6 6.5 -0.0 -6.0 19 19 A C S >X S- 0 0 2 -4,-2.8 4,-2.5 1,-0.1 3,-1.9 -0.792 90.1-154.5-123.9 87.0 3.4 -1.5 -7.6 20 20 A P T 34 S- 0 0 90 0, 0.0 5,-0.3 0, 0.0 -1,-0.1 0.573 80.0 -1.9 -63.4 -34.2 3.0 1.2 -10.3 21 21 A E T 34 S+ 0 0 134 3,-0.1 3,-0.3 -3,-0.1 14,-0.1 0.042 115.6 86.3-130.7 19.0 -0.8 1.1 -11.1 22 22 A V T <4 S+ 0 0 32 -3,-1.9 14,-2.5 1,-0.7 13,-0.6 0.847 111.1 21.6 -88.7 -37.9 -1.5 -1.7 -8.7 23 23 A F E < S-B 34 0B 2 -4,-2.5 -1,-0.7 11,-0.3 2,-0.3 -0.951 102.2-147.6-107.3 134.4 -1.8 1.0 -6.2 24 24 A A E -B 33 0B 6 9,-3.4 2,-2.4 -2,-0.5 9,-0.8 -0.784 27.4 -96.6-103.6 155.4 -2.5 4.0 -8.4 25 25 A M E S+ 0 0 87 -2,-0.3 2,-0.5 -5,-0.3 9,-0.1 -0.249 89.2 107.6 -84.8 54.9 -1.2 7.4 -7.4 26 26 A I E - 0 0 93 -2,-2.4 7,-2.9 7,-0.2 2,-0.5 -0.996 45.3-178.8-111.0 114.8 -4.4 8.7 -5.8 27 27 A D E -B 32 0B 27 -2,-0.5 5,-0.3 5,-0.3 -15,-0.1 -0.991 14.3-160.7-104.4 132.4 -3.7 8.7 -2.1 28 28 A G - 0 0 37 3,-2.6 4,-0.1 -2,-0.5 2,-0.1 -0.369 46.5-105.1-113.5 44.4 -6.7 9.9 -0.2 29 29 A E S S+ 0 0 117 1,-0.3 -20,-0.2 2,-0.2 -18,-0.1 0.292 119.5 27.8 47.0 5.1 -4.8 10.8 2.9 30 30 A E S S+ 0 0 136 1,-0.4 2,-0.3 -20,-0.2 -1,-0.3 0.252 126.8 50.9-147.1 -15.6 -6.3 7.5 4.6 31 31 A K - 0 0 89 -23,-0.1 -3,-2.6 -24,-0.1 -1,-0.4 -0.824 61.9-161.4-121.7 150.0 -6.7 5.7 1.5 32 32 A A E -B 27 0B 1 -2,-0.3 2,-1.3 -5,-0.3 -5,-0.3 -0.904 41.3-106.5-122.3 152.6 -4.5 4.9 -1.4 33 33 A M E -B 24 0B 77 -7,-2.9 -9,-3.4 -9,-0.8 2,-1.1 -0.718 36.0-168.5 -79.7 93.6 -6.3 3.9 -4.6 34 34 A V E +B 23 0B 29 -2,-1.3 -11,-0.3 -11,-0.3 -12,-0.1 -0.796 11.4 174.2 -84.8 96.8 -5.4 0.2 -4.6 35 35 A T S S+ 0 0 66 -2,-1.1 -1,-0.2 -13,-0.6 -12,-0.2 0.839 71.9 31.2 -74.7 -37.8 -6.6 -0.5 -8.1 36 36 A A > + 0 0 27 -14,-2.5 3,-0.6 -3,-0.2 -1,-0.3 -0.751 61.2 166.1-130.4 87.2 -5.5 -4.1 -8.2 37 37 A P T 3 S+ 0 0 51 0, 0.0 -35,-3.1 0, 0.0 -1,-0.1 0.310 70.1 72.9 -89.2 9.5 -5.6 -5.8 -4.8 38 38 A D T 3 S+ 0 0 124 -37,-0.3 2,-0.7 1,-0.1 21,-0.2 0.867 74.5 95.2 -84.3 -41.3 -5.2 -9.2 -6.3 39 39 A S < - 0 0 40 -3,-0.6 2,-2.4 -38,-0.1 -1,-0.1 -0.420 59.1-159.5 -69.6 98.6 -1.6 -8.8 -7.1 40 40 A T + 0 0 59 -2,-0.7 2,-0.7 19,-0.1 -1,-0.1 -0.493 27.0 174.1 -65.6 66.6 0.9 -10.1 -4.5 41 41 A A > - 0 0 27 -2,-2.4 3,-2.4 1,-0.1 4,-0.3 -0.823 29.0-142.8 -89.9 112.6 3.5 -7.8 -6.0 42 42 A E G > S+ 0 0 114 -2,-0.7 3,-1.0 1,-0.3 4,-0.4 0.609 92.5 72.9 -68.6 -13.0 6.4 -8.3 -3.6 43 43 A C G >> S+ 0 0 53 1,-0.2 3,-1.3 -25,-0.2 4,-0.7 0.857 92.9 58.0 -64.8 -29.3 7.5 -4.6 -3.8 44 44 A A G <4 S+ 0 0 0 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.665 90.0 72.2 -77.5 -9.5 4.3 -3.8 -1.7 45 45 A Q G <4 S+ 0 0 91 -3,-1.0 3,-0.4 -4,-0.3 -1,-0.3 0.699 94.3 54.0 -81.1 -14.1 5.7 -6.2 1.0 46 46 A D T X4 S+ 0 0 33 -3,-1.3 3,-2.6 -4,-0.4 -1,-0.2 0.901 98.2 64.5 -74.0 -38.1 8.2 -3.5 1.7 47 47 A A G >< S+ 0 0 2 -4,-0.7 3,-0.8 1,-0.3 -2,-0.2 0.355 78.1 81.1 -83.1 7.8 5.4 -1.0 2.2 48 48 A I G > S+ 0 0 33 -3,-0.4 3,-1.7 1,-0.2 -1,-0.3 0.839 88.0 59.7 -66.6 -34.5 4.1 -3.0 5.2 49 49 A D G < S+ 0 0 80 -3,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.010 106.4 46.4 -92.8 29.5 6.9 -1.0 6.9 50 50 A A G < S+ 0 0 7 -3,-0.8 -1,-0.3 33,-0.1 -2,-0.2 -0.036 88.3 95.4-151.8 20.8 5.2 2.2 5.9 51 51 A C S X S- 0 0 21 -3,-1.7 3,-1.3 1,-0.1 5,-0.1 -0.974 76.4-135.1-105.3 143.9 1.7 1.3 6.9 52 52 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.648 109.0 31.8 -74.0 -17.0 1.0 2.7 10.4 53 53 A V T 3 S- 0 0 77 -47,-0.1 -4,-0.1 -45,-0.1 -5,-0.0 0.172 111.2-119.3-119.3 8.1 -0.6 -0.6 11.5 54 54 A E < + 0 0 120 -3,-1.3 2,-0.2 -6,-0.2 -6,-0.1 0.912 55.3 169.5 51.7 50.1 1.7 -2.6 9.1 55 55 A A + 0 0 8 -7,-0.1 -50,-3.0 -47,-0.1 2,-0.7 -0.006 28.0 104.7-102.9 29.4 -1.5 -3.6 7.7 56 56 A I E +A 4 0A 7 -52,-0.2 2,-0.3 -2,-0.2 -52,-0.3 -0.949 40.7 177.9-105.7 111.7 -0.7 -5.3 4.4 57 57 A S E -A 3 0A 41 -54,-3.6 -54,-3.0 -2,-0.7 2,-0.3 -0.796 16.1-151.0 -90.0 153.8 -1.1 -9.0 4.6 58 58 A K E A 2 0A 34 -2,-0.3 -56,-0.2 -56,-0.2 -19,-0.1 -0.853 360.0 360.0-123.6 162.1 -0.4 -10.8 1.4 59 59 A E 0 0 160 -58,-0.8 -57,-0.1 -2,-0.3 -19,-0.1 -0.384 360.0 360.0 171.2 360.0 -1.9 -14.1 0.3 60 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 61 1 B A 0 0 84 0, 0.0 72,-0.2 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 122.1 8.8 26.6 6.5 62 2 B D > + 0 0 75 71,-0.4 3,-1.4 72,-0.0 71,-0.2 -0.393 360.0 149.0 171.3 -55.3 5.2 25.5 6.2 63 3 B G G > + 0 0 0 69,-1.4 3,-2.7 1,-0.3 4,-0.2 -0.259 61.9 39.0 47.1-109.9 6.2 21.8 6.5 64 4 B A G > S+ 0 0 50 1,-0.3 3,-1.7 12,-0.3 4,-0.3 0.650 105.7 67.8 -37.0 -41.8 3.2 19.9 8.1 65 5 B A G < S+ 0 0 63 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.778 119.3 20.6 -60.4 -31.2 0.6 21.9 6.2 66 6 B L G < S+ 0 0 77 -3,-2.7 3,-0.3 1,-0.1 -1,-0.3 0.079 106.0 87.0-121.3 21.8 1.6 20.4 2.9 67 7 B Y X + 0 0 17 -3,-1.7 3,-2.4 1,-0.2 4,-0.4 0.347 53.0 107.9-103.4 5.3 3.3 17.4 4.5 68 8 B K T 3 S+ 0 0 98 1,-0.3 3,-0.5 -4,-0.3 4,-0.2 0.760 76.5 54.0 -60.3 -30.2 0.0 15.5 4.6 69 9 B S T 3 S+ 0 0 18 -3,-0.3 -57,-1.7 1,-0.2 -1,-0.3 0.693 111.8 43.9 -67.0 -27.5 1.3 13.2 1.7 70 10 B C S X> S+ 0 0 31 -3,-2.4 3,-1.6 -59,-0.2 4,-0.7 0.336 76.5 103.8-115.2 0.4 4.4 12.3 3.6 71 11 B I H >> S+ 0 0 49 -3,-0.5 4,-3.4 -4,-0.4 3,-1.8 0.908 77.2 59.0 -63.7 -42.2 3.3 11.6 7.1 72 12 B G H 34 S+ 0 0 11 -62,-2.1 -1,-0.3 1,-0.3 -61,-0.1 0.627 110.9 42.3 -61.7 -17.2 3.6 7.8 6.8 73 13 B C H <4 S+ 0 0 15 -3,-1.6 9,-0.9 -63,-0.2 -1,-0.3 0.568 134.8 7.7-100.7 -11.8 7.2 8.0 5.9 74 14 B H H <<>S- 0 0 37 -3,-1.8 2,-0.7 -4,-0.7 5,-0.6 0.638 77.9-128.2-141.5 -31.2 8.2 10.6 8.5 75 15 B G T <5S- 0 0 28 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.896 74.8 -44.4 84.0-121.7 5.9 11.7 11.1 76 16 B A T 5S+ 0 0 43 -2,-0.7 -12,-0.3 1,-0.1 -1,-0.2 0.620 131.1 25.4-124.7 -22.1 5.9 15.5 10.9 77 17 B D T 5S- 0 0 42 -3,-0.5 63,-0.1 -6,-0.1 -1,-0.1 -0.344 120.8 -71.7-153.7 52.6 9.5 16.8 10.5 78 18 B G T 5S+ 0 0 5 1,-0.1 -3,-0.1 -3,-0.1 -7,-0.0 0.725 86.4 147.5 72.7 22.5 11.7 14.2 9.0 79 19 B S < + 0 0 45 -5,-0.6 2,-0.3 11,-0.0 -4,-0.1 0.491 66.9 5.3 -86.7 -8.7 11.4 12.5 12.3 80 20 B K - 0 0 138 -6,-0.3 2,-0.4 -7,-0.1 9,-0.1 -0.857 62.2-146.4-144.9 162.7 11.6 9.0 10.9 81 21 B A + 0 0 22 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.888 28.4 172.4-119.6 137.5 12.2 7.8 7.5 82 22 B A + 0 0 26 -9,-0.9 3,-0.1 -2,-0.4 -2,-0.1 -0.882 32.1 121.5-142.1 115.7 10.2 4.7 7.2 83 23 B M S S- 0 0 6 1,-1.6 2,-0.3 -2,-0.3 -34,-0.2 0.427 99.1 -79.7-136.3 -38.2 10.0 3.2 3.7 84 24 B G S S+ 0 0 19 -36,-0.1 -1,-1.6 -11,-0.1 2,-0.2 -0.583 115.1 7.1 149.6-142.2 11.4 0.1 5.1 85 25 B S S S+ 0 0 73 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.391 91.7 143.9 -59.2 115.6 15.2 0.6 5.4 86 26 B A - 0 0 24 -5,-0.2 -5,-0.2 -2,-0.2 -3,-0.1 -0.917 54.5-100.2-154.8 157.7 15.6 4.4 4.6 87 27 B K - 0 0 96 -2,-0.3 2,-1.7 -7,-0.1 -5,-0.1 -0.863 21.3-148.1 -99.5 112.9 18.0 7.0 6.0 88 28 B P - 0 0 81 0, 0.0 2,-1.0 0, 0.0 -7,-0.1 -0.594 20.5-173.2 -73.4 80.7 16.4 9.3 8.7 89 29 B V + 0 0 42 -2,-1.7 2,-0.3 -9,-0.1 3,-0.1 -0.764 30.1 132.2 -84.1 103.2 18.5 12.4 7.8 90 30 B K + 0 0 71 -2,-1.0 -12,-0.1 1,-0.1 3,-0.1 -0.874 36.2 77.6-149.6 157.7 17.5 14.8 10.5 91 31 B G S S+ 0 0 45 49,-3.1 2,-0.2 -2,-0.3 -1,-0.1 0.826 84.6 122.5 88.0 47.9 19.9 16.8 12.6 92 32 B Q - 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