==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 01-AUG-11 3B2G . COMPND 2 MOLECULE: FERREDOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEPTOLYNGBYA BORYANA; . AUTHOR G.KURISU,T.HASE . 196 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 21.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 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 . 22 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.1 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 2 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 127 0, 0.0 21,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.3 48.5 -7.7 10.6 2 2 A S E -A 21 0A 57 19,-0.3 2,-0.3 20,-0.1 84,-0.1 -0.847 360.0-142.6-124.5 159.2 45.1 -8.2 12.1 3 3 A F E -A 20 0A 49 17,-2.5 17,-3.0 -2,-0.3 2,-0.7 -0.932 22.7-115.0-121.6 149.8 43.6 -8.4 15.6 4 4 A K E -A 19 0A 93 -2,-0.3 83,-2.0 15,-0.2 2,-0.6 -0.761 34.0-168.6 -82.9 114.8 40.9 -10.5 17.1 5 5 A V E -Ab 18 87A 0 13,-3.1 13,-2.7 -2,-0.7 2,-0.6 -0.944 8.3-154.5-110.9 117.4 38.0 -8.2 18.0 6 6 A T E -Ab 17 88A 27 81,-3.4 83,-3.3 -2,-0.6 2,-0.5 -0.831 10.9-162.9 -93.2 120.0 35.3 -9.7 20.2 7 7 A L E -Ab 16 89A 0 9,-3.2 9,-2.1 -2,-0.6 2,-0.4 -0.907 7.8-168.2-109.0 133.6 32.0 -7.9 19.7 8 8 A I E +Ab 15 90A 40 81,-2.4 83,-2.5 -2,-0.5 7,-0.2 -0.968 30.4 135.8-133.2 119.8 29.3 -8.4 22.3 9 9 A N E > > -A 14 0A 22 5,-2.7 5,-2.8 -2,-0.4 3,-0.9 -0.626 21.8-173.2-153.2 99.7 25.6 -7.5 22.4 10 10 A E G > 5S+ 0 0 118 1,-0.3 3,-0.7 3,-0.3 5,-0.1 0.758 82.7 63.6 -76.1 -18.2 23.5 -10.3 23.9 11 11 A T G 3 5S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.875 110.1 43.4 -68.4 -27.1 20.1 -8.7 23.2 12 12 A E G < 5S- 0 0 81 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.510 120.3-116.0 -81.8 -8.5 21.2 -9.1 19.5 13 13 A G T < 5 + 0 0 58 -3,-0.7 2,-0.5 -4,-0.3 -3,-0.3 0.711 66.5 153.0 70.9 23.8 22.5 -12.6 20.3 14 14 A L E < +A 9 0A 11 -5,-2.8 -5,-2.7 1,-0.0 -1,-0.2 -0.757 12.5 133.6 -96.8 119.4 26.0 -11.2 19.4 15 15 A N E +A 8 0A 91 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.489 34.0 141.7-159.2 79.7 29.1 -12.7 20.9 16 16 A T E -A 7 0A 61 -9,-2.1 -9,-3.2 -2,-0.1 2,-0.5 -0.977 42.3-144.5-138.3 136.3 31.6 -13.1 18.1 17 17 A T E -A 6 0A 75 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.3 -0.894 25.8-178.7-103.1 125.6 35.3 -12.8 17.6 18 18 A I E -A 5 0A 7 -13,-2.7 -13,-3.1 -2,-0.5 2,-0.6 -0.901 30.7-114.7-121.9 152.5 36.4 -11.5 14.2 19 19 A E E -A 4 0A 102 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.780 35.3-172.1 -85.5 120.4 39.8 -10.8 12.5 20 20 A V E -A 3 0A 0 -17,-3.0 -17,-2.5 -2,-0.6 6,-0.1 -0.959 23.6-121.9-118.4 119.4 40.1 -7.1 11.8 21 21 A P E > -A 2 0A 39 0, 0.0 3,-1.9 0, 0.0 -19,-0.3 -0.241 24.8-120.3 -52.9 146.5 43.0 -5.6 9.8 22 22 A D T 3 S+ 0 0 68 -21,-2.7 -20,-0.1 1,-0.3 60,-0.0 0.626 113.4 50.6 -68.7 -12.6 45.0 -3.0 11.8 23 23 A D T 3 S+ 0 0 120 -22,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.095 95.6 86.5-109.8 20.9 44.2 -0.4 9.1 24 24 A E S < S- 0 0 35 -3,-1.9 2,-0.1 59,-0.1 56,-0.1 -0.979 79.7-116.4-120.7 138.1 40.4 -1.0 9.1 25 25 A Y > - 0 0 51 -2,-0.4 4,-2.1 57,-0.2 57,-0.2 -0.395 26.2-122.7 -64.9 144.1 37.8 0.6 11.3 26 26 A I H > S+ 0 0 0 55,-2.8 4,-2.7 1,-0.2 5,-0.2 0.878 109.1 54.0 -57.2 -44.6 36.0 -1.9 13.6 27 27 A L H > S+ 0 0 0 51,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.941 111.1 46.0 -57.0 -49.9 32.5 -1.0 12.3 28 28 A D H > S+ 0 0 58 50,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.905 113.9 47.1 -58.9 -47.4 33.5 -1.6 8.6 29 29 A A H X S+ 0 0 1 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.896 112.2 50.9 -65.3 -43.9 35.2 -4.9 9.3 30 30 A A H <>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 3,-0.3 0.930 111.4 47.9 -55.3 -50.3 32.3 -6.1 11.4 31 31 A E H ><5S+ 0 0 18 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.912 106.8 56.7 -59.8 -43.5 29.8 -5.3 8.6 32 32 A E H 3<5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.850 106.4 50.4 -57.3 -34.7 32.0 -7.0 6.0 33 33 A Q T 3<5S- 0 0 107 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.159 128.7 -97.5 -93.0 18.2 31.8 -10.2 8.0 34 34 A G T < 5S+ 0 0 61 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.651 77.1 138.2 84.2 19.1 28.0 -9.9 8.3 35 35 A I < - 0 0 16 -5,-2.5 2,-0.6 -6,-0.1 -1,-0.3 -0.768 45.3-139.3 -96.6 140.7 27.6 -8.4 11.7 36 36 A D + 0 0 26 -2,-0.4 99,-0.0 -24,-0.1 -24,-0.0 -0.908 26.5 172.3-102.0 120.8 25.0 -5.6 12.2 37 37 A L - 0 0 1 -2,-0.6 101,-0.1 -10,-0.1 2,-0.1 -0.932 36.1-102.3-122.7 147.8 26.1 -2.7 14.4 38 38 A P + 0 0 5 0, 0.0 2,-0.3 0, 0.0 101,-0.2 -0.415 51.6 150.4 -70.8 144.6 24.3 0.5 15.1 39 39 A Y B +E 138 0B 13 99,-1.5 99,-1.4 97,-0.1 8,-0.0 -0.982 23.3 168.3-164.1 162.1 25.5 3.7 13.3 40 40 A S S S+ 0 0 13 -2,-0.3 -1,-0.1 97,-0.2 153,-0.0 0.298 81.2 20.7-138.9 -74.0 24.4 7.0 11.9 41 41 A C - 0 0 50 1,-0.1 -2,-0.0 96,-0.0 0, 0.0 0.787 69.9-156.5 -80.2 -28.3 27.1 9.6 10.9 42 42 A R S S+ 0 0 77 1,-0.1 -1,-0.1 -15,-0.0 -3,-0.0 0.645 70.6 97.9 55.8 24.5 30.0 7.2 10.5 43 43 A A S S- 0 0 63 37,-0.0 -1,-0.1 21,-0.0 37,-0.0 0.315 98.6-109.7-122.8 3.0 32.2 10.3 11.1 44 44 A G S S+ 0 0 0 19,-0.1 20,-2.9 20,-0.1 21,-0.4 0.662 90.7 110.4 73.6 18.6 33.1 10.0 14.8 45 45 A A S S+ 0 0 55 18,-0.2 2,-0.2 19,-0.1 -1,-0.0 0.284 72.4 34.2-108.8 7.7 30.9 13.0 15.6 46 46 A C S S- 0 0 29 20,-0.0 19,-0.2 0, 0.0 20,-0.2 -0.690 76.9-115.0-141.9-166.0 28.0 11.4 17.5 47 47 A S S > S+ 0 0 16 -2,-0.2 3,-1.9 18,-0.1 50,-0.1 0.279 77.0 108.3-122.6 11.7 27.4 8.5 19.9 48 48 A T T 3 S+ 0 0 10 1,-0.3 46,-0.3 46,-0.1 44,-0.1 0.871 87.5 39.5 -57.4 -40.7 25.2 6.2 17.8 49 49 A C T 3 S+ 0 0 6 43,-0.1 29,-1.4 44,-0.1 -1,-0.3 0.153 87.6 146.8 -93.5 15.3 28.0 3.6 17.3 50 50 A A E < +C 77 0A 0 -3,-1.9 43,-2.6 27,-0.2 44,-0.5 -0.276 17.6 167.3 -60.2 135.1 29.3 3.9 20.9 51 51 A G E -C 76 0A 0 25,-2.6 25,-2.2 41,-0.2 2,-0.4 -0.775 29.7-120.6-128.9-176.0 30.7 0.8 22.5 52 52 A K E -CD 75 90A 71 38,-2.2 38,-3.2 -2,-0.2 2,-0.5 -0.991 16.9-135.3-135.1 129.1 32.7 0.0 25.6 53 53 A I E + D 0 89A 34 21,-2.7 36,-0.2 -2,-0.4 3,-0.1 -0.680 26.5 168.5 -83.8 123.1 36.0 -1.7 25.7 54 54 A T E S+ 0 0 84 34,-2.3 2,-0.3 -2,-0.5 35,-0.1 0.507 72.4 17.5-108.4 -10.3 36.4 -4.4 28.4 55 55 A A E S+ D 0 88A 45 33,-1.1 33,-2.6 0, 0.0 -1,-0.3 -0.971 107.8 6.6-155.1 145.4 39.7 -5.8 27.1 56 56 A G S S- 0 0 36 -2,-0.3 2,-0.3 31,-0.3 31,-0.2 -0.198 74.9 -82.8 81.7-169.8 42.5 -4.6 24.8 57 57 A T - 0 0 74 29,-0.2 27,-2.6 28,-0.1 28,-1.1 -0.926 27.3-162.7-140.2 157.1 43.0 -1.2 23.1 58 58 A V E -F 83 0C 26 -2,-0.3 2,-0.6 25,-0.3 23,-0.0 -0.882 23.8-126.5-132.2 161.8 42.0 0.8 20.0 59 59 A D E +F 82 0C 58 23,-3.2 23,-2.9 -2,-0.3 3,-0.2 -0.962 39.2 156.0-104.6 106.7 43.2 3.8 18.1 60 60 A Q > + 0 0 22 -2,-0.6 3,-3.0 21,-0.2 21,-0.1 -0.053 20.8 133.4-116.8 34.0 40.2 6.2 17.9 61 61 A S T 3 + 0 0 93 1,-0.3 -1,-0.1 3,-0.0 20,-0.1 0.732 67.7 64.7 -62.4 -20.3 42.2 9.4 17.4 62 62 A D T 3 S+ 0 0 91 18,-0.5 -1,-0.3 -3,-0.2 19,-0.1 0.627 81.2 102.8 -76.5 -11.8 39.8 10.3 14.6 63 63 A Q < + 0 0 27 -3,-3.0 -18,-0.2 17,-0.2 -19,-0.1 -0.365 40.6 175.1 -74.5 151.6 36.8 10.5 17.0 64 64 A S + 0 0 89 -20,-2.9 -19,-0.1 -18,-0.1 -1,-0.1 0.076 64.8 66.0-144.6 19.6 35.5 13.9 18.1 65 65 A F S S+ 0 0 94 -21,-0.4 2,-0.2 -19,-0.2 -20,-0.1 0.757 79.2 78.6-110.0 -42.2 32.4 13.2 20.3 66 66 A L S S- 0 0 9 -22,-0.2 2,-0.1 -20,-0.2 11,-0.0 -0.465 70.3-140.2 -75.5 135.5 33.7 11.4 23.4 67 67 A D > - 0 0 81 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.324 31.6 -94.4 -85.8 176.5 35.2 13.5 26.1 68 68 A D H > S+ 0 0 137 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.867 124.3 52.8 -63.1 -37.5 38.3 12.5 28.2 69 69 A D H > S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.896 111.1 47.8 -62.7 -42.5 36.2 11.1 31.1 70 70 A Q H 4>S+ 0 0 39 2,-0.2 5,-2.2 1,-0.2 4,-0.3 0.917 112.2 47.9 -68.5 -43.7 34.4 8.9 28.6 71 71 A I H ><5S+ 0 0 68 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.923 111.7 51.1 -59.2 -43.4 37.6 7.7 26.9 72 72 A Q H 3<5S+ 0 0 163 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.862 105.5 56.7 -61.7 -34.0 39.1 7.0 30.3 73 73 A A T 3<5S- 0 0 53 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.470 126.1-101.2 -79.6 -3.8 35.9 5.0 31.2 74 74 A G T < 5 + 0 0 14 -3,-1.4 -21,-2.7 -4,-0.3 -3,-0.2 0.399 68.1 151.5 105.1 0.3 36.5 2.8 28.1 75 75 A Y E < -C 52 0A 35 -5,-2.2 2,-0.3 -23,-0.2 -1,-0.3 -0.303 20.0-173.9 -71.3 150.9 34.0 4.2 25.6 76 76 A V E -C 51 0A 0 -25,-2.2 -25,-2.6 -29,-0.1 2,-0.9 -0.999 30.1-133.3-143.9 142.3 34.8 3.9 21.9 77 77 A L E > -C 50 0A 0 -2,-0.3 3,-1.7 -27,-0.2 -27,-0.2 -0.864 22.9-162.8 -94.4 102.1 33.2 5.2 18.6 78 78 A T G > S+ 0 0 3 -29,-1.4 -51,-2.2 -2,-0.9 3,-0.8 0.715 81.4 66.8 -61.8 -23.2 33.3 2.0 16.6 79 79 A C G 3 S+ 0 0 7 1,-0.2 -1,-0.3 -53,-0.2 -51,-0.1 0.709 115.2 27.7 -70.9 -18.8 32.9 3.8 13.3 80 80 A V G < S+ 0 0 5 -3,-1.7 2,-0.5 -56,-0.1 -18,-0.5 0.067 97.0 112.5-128.9 24.4 36.3 5.4 13.6 81 81 A A < - 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