==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSFER(IRON-SULFUR) 08-APR-91 1FXD . COMPND 2 MOLECULE: FERREDOXIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR C.R.KISSINGER,L.C.SIEKER,E.T.ADMAN,L.H.JENSEN . 58 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 53.4 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 . 8 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 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 . 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 . 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 . 3 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 19.0 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+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 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 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 P 0 0 77 0, 0.0 57,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 170.2 12.1 -12.2 13.1 2 2 A I E +A 57 0A 5 34,-2.9 2,-0.3 55,-0.2 55,-0.2 -0.650 360.0 176.8 -80.5 136.0 10.9 -9.3 11.0 3 3 A E E -A 56 0A 105 53,-2.1 53,-2.4 -2,-0.4 2,-0.5 -0.927 26.8-139.3-132.7 154.2 13.2 -8.1 8.2 4 4 A V E -A 55 0A 18 -2,-0.3 51,-0.2 51,-0.2 29,-0.1 -0.972 28.8-151.6-114.3 123.3 13.0 -5.4 5.4 5 5 A N > - 0 0 54 49,-2.5 3,-1.5 -2,-0.5 49,-0.1 -0.279 32.2 -91.2 -91.3 178.9 14.5 -6.8 2.1 6 6 A D T 3 S+ 0 0 145 1,-0.3 48,-0.1 -2,-0.1 -1,-0.0 0.468 113.4 78.7 -72.1 -4.6 16.1 -4.9 -0.7 7 7 A D T 3 + 0 0 112 47,-0.1 -1,-0.3 46,-0.1 47,-0.1 0.577 63.8 129.4 -77.6 -9.8 12.8 -4.4 -2.6 8 8 A C < - 0 0 27 -3,-1.5 -4,-0.0 46,-0.2 42,-0.0 -0.185 40.3-171.1 -50.5 126.9 12.0 -1.6 -0.2 9 9 A M - 0 0 119 21,-0.0 -1,-0.2 0, 0.0 21,-0.1 0.213 46.0-110.1-103.3 8.3 11.0 1.4 -2.2 10 10 A A + 0 0 25 19,-0.1 20,-0.1 1,-0.1 -2,-0.1 0.846 66.2 151.1 58.4 45.9 11.0 3.8 0.8 11 11 A X - 0 0 110 18,-0.1 -1,-0.1 1,-0.0 19,-0.0 0.762 39.7-152.9 -66.8 -35.1 7.2 4.0 0.7 12 12 A E > + 0 0 81 11,-0.1 4,-1.2 1,-0.0 5,-0.1 0.523 55.6 127.2 63.4 20.5 7.3 4.6 4.4 13 13 A A H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.906 71.7 57.3 -63.0 -43.2 3.8 3.2 5.0 14 14 A C H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 8,-0.3 0.834 104.0 52.2 -56.6 -36.6 5.4 0.9 7.7 15 15 A V H 4 S+ 0 0 38 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.822 112.3 44.8 -67.9 -36.8 6.7 4.0 9.6 16 16 A E H < S+ 0 0 164 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.884 119.4 41.5 -71.3 -41.5 3.3 5.7 9.7 17 17 A I H < S+ 0 0 39 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.798 131.9 16.5 -79.2 -39.9 1.4 2.5 10.6 18 18 A a >X + 0 0 0 -4,-2.1 3,-2.0 -5,-0.3 4,-1.9 -0.470 63.0 165.7-143.2 71.1 3.8 1.0 13.2 19 19 A P T 34 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.687 75.2 63.5 -63.1 -19.9 6.3 3.6 14.5 20 20 A D T 34 S+ 0 0 116 1,-0.2 3,-0.1 3,-0.0 -5,-0.1 0.599 115.6 29.7 -79.1 -16.7 7.4 1.4 17.4 21 21 A V T <4 S+ 0 0 1 -3,-2.0 13,-2.2 1,-0.2 14,-0.8 0.671 117.9 50.3-116.0 -27.8 8.7 -1.2 15.1 22 22 A F E < +B 33 0B 2 -4,-1.9 2,-0.3 -8,-0.3 -1,-0.2 -0.964 50.7 164.6-127.2 136.8 9.9 0.6 11.9 23 23 A E E -B 32 0B 108 9,-2.4 9,-4.4 -2,-0.4 2,-0.3 -0.872 37.7-108.5-137.0 159.0 12.1 3.6 11.3 24 24 A M E -B 31 0B 36 -2,-0.3 7,-0.2 7,-0.3 2,-0.0 -0.642 36.3-113.9 -88.0 148.4 13.8 5.0 8.2 25 25 A N - 0 0 49 5,-2.7 -1,-0.1 -2,-0.3 5,-0.1 -0.246 35.8 -97.4 -70.3 172.6 17.6 4.7 7.9 26 26 A E S S+ 0 0 204 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.905 126.8 52.0 -62.2 -40.9 19.7 7.8 7.9 27 27 A E S S- 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.842 105.7-136.2 -61.1 -35.0 20.0 7.9 4.1 28 28 A G S S+ 0 0 32 2,-0.3 -2,-0.1 -3,-0.1 3,-0.1 0.784 76.5 103.1 83.8 31.4 16.2 7.6 4.1 29 29 A D S S+ 0 0 94 1,-0.3 2,-0.3 -18,-0.0 -19,-0.1 0.310 77.7 40.7-126.6 5.2 15.9 5.0 1.4 30 30 A K S S- 0 0 59 -21,-0.1 -5,-2.7 -20,-0.1 -2,-0.3 -0.971 76.4-121.5-154.7 142.5 15.3 1.9 3.4 31 31 A A E -B 24 0B 7 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.3 -0.563 24.8-149.8 -81.6 153.1 13.2 1.1 6.5 32 32 A V E -B 23 0B 56 -9,-4.4 -9,-2.4 -2,-0.2 2,-0.8 -0.938 12.7-127.4-120.1 142.2 14.9 -0.3 9.6 33 33 A V E -B 22 0B 32 -2,-0.4 -11,-0.2 -11,-0.2 -12,-0.1 -0.818 18.9-174.0 -94.0 110.4 13.4 -2.7 12.1 34 34 A I S S+ 0 0 81 -13,-2.2 -1,-0.1 -2,-0.8 -12,-0.1 0.697 83.0 21.6 -72.7 -29.3 13.7 -1.4 15.6 35 35 A N > - 0 0 76 -14,-0.8 3,-1.4 1,-0.1 -1,-0.3 -0.785 64.9-175.5-144.2 97.5 12.3 -4.6 17.3 36 36 A P T 3 S+ 0 0 55 0, 0.0 -34,-2.9 0, 0.0 -1,-0.1 0.590 84.8 52.3 -74.1 -13.0 12.6 -7.7 15.1 37 37 A D T 3 S+ 0 0 116 -36,-0.2 0, 0.0 2,-0.0 0, 0.0 0.073 79.7 143.9-104.1 15.8 10.7 -9.9 17.6 38 38 A S < - 0 0 9 -3,-1.4 -36,-0.0 1,-0.1 -17,-0.0 -0.264 35.7-167.4 -59.5 141.9 7.6 -7.5 18.0 39 39 A D + 0 0 151 4,-0.0 -1,-0.1 3,-0.0 -2,-0.0 0.249 41.1 136.5-107.2 2.8 4.2 -9.0 18.5 40 40 A L >> - 0 0 85 1,-0.1 3,-1.5 2,-0.1 4,-0.5 -0.209 60.2-131.2 -56.6 143.4 2.3 -5.7 17.9 41 41 A D H >> S+ 0 0 151 1,-0.3 4,-1.4 2,-0.2 3,-0.6 0.761 103.9 71.1 -68.5 -24.2 -0.7 -6.1 15.7 42 42 A a H 3> S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.654 85.0 69.9 -66.9 -16.1 0.5 -3.1 13.6 43 43 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.930 99.6 46.5 -62.6 -47.8 3.3 -5.4 12.3 44 44 A E H < S+ 0 0 39 -4,-2.4 3,-1.0 1,-0.2 8,-0.2 0.940 113.4 46.0 -61.2 -46.0 3.4 -6.0 6.0 48 48 A D H 3< S+ 0 0 135 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.798 114.0 49.7 -68.1 -29.0 -0.1 -5.9 4.3 49 49 A S H 3< S+ 0 0 48 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.454 82.2 105.0 -90.8 -5.4 0.4 -2.2 3.5 50 50 A C X< - 0 0 18 -3,-1.0 3,-1.2 -4,-0.7 5,-0.1 -0.724 54.5-161.2 -83.0 120.9 3.9 -2.4 2.0 51 51 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.765 91.9 50.2 -67.9 -26.8 3.6 -2.1 -1.8 52 52 A A T 3 S- 0 0 17 -3,-0.1 -45,-0.1 0, 0.0 -2,-0.1 0.541 101.2-132.8 -86.6 -12.3 7.0 -3.6 -2.3 53 53 A E < + 0 0 153 -3,-1.2 -46,-0.1 -6,-0.2 -45,-0.1 0.866 59.1 144.4 54.5 41.3 6.2 -6.6 -0.1 54 54 A A + 0 0 1 -47,-0.1 -49,-2.5 -49,-0.1 2,-0.5 0.633 39.8 85.0 -82.8 -17.7 9.6 -5.9 1.4 55 55 A I E +A 4 0A 9 -8,-0.2 2,-0.3 -51,-0.2 -51,-0.2 -0.793 57.5 161.3 -93.9 124.5 8.6 -6.8 5.0 56 56 A V E -A 3 0A 50 -53,-2.4 -53,-2.1 -2,-0.5 2,-0.5 -0.832 40.9-121.1-137.1 170.7 8.9 -10.5 5.9 57 57 A R E A 2 0A 133 -2,-0.3 -55,-0.2 -55,-0.2 -2,-0.0 -0.976 360.0 360.0-115.8 109.3 9.1 -12.9 8.8 58 58 A S 0 0 106 -57,-2.7 -1,-0.1 -2,-0.5 -56,-0.1 0.732 360.0 360.0 -96.8 360.0 12.3 -15.0 8.6