==== 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 05-JAN-06 2FLA . COMPND 2 MOLECULE: HIGH-POTENTIAL IRON-SULFUR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCHROMATIUM TEPIDUM; . AUTHOR L.M.HUNSICKER-WANG,C.D.STOUT,J.A.FEE . 83 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 15.7 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 1.2 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 0 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.1 8.2 31.6 -4.8 2 2 A A - 0 0 51 1,-0.1 68,-0.0 2,-0.1 56,-0.0 -0.406 360.0-102.3 -75.8 148.0 5.5 30.0 -2.6 3 3 A P > - 0 0 38 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.237 35.7-104.6 -62.3 161.1 2.4 28.4 -4.1 4 4 A A T 3 S+ 0 0 116 1,-0.3 -2,-0.1 63,-0.1 63,-0.0 0.779 121.9 45.8 -59.8 -28.7 -0.8 30.4 -4.0 5 5 A N T 3 S+ 0 0 70 2,-0.1 63,-1.7 62,-0.0 -1,-0.3 0.119 82.7 137.3-103.8 20.5 -2.1 28.1 -1.2 6 6 A A B < -a 68 0A 10 -3,-2.1 2,-0.2 61,-0.2 63,-0.2 -0.359 66.4-102.0 -63.3 146.0 1.1 28.2 0.9 7 7 A V - 0 0 2 61,-2.7 2,-0.2 -2,-0.1 14,-0.1 -0.540 48.1-152.9 -63.2 129.7 0.7 28.5 4.6 8 8 A T > - 0 0 86 -2,-0.2 3,-1.5 -3,-0.1 6,-0.2 -0.634 25.6-108.2-111.3 164.3 1.5 32.2 5.3 9 9 A A T 3 S+ 0 0 89 1,-0.3 9,-0.1 -2,-0.2 -2,-0.1 0.690 115.7 54.9 -65.8 -17.0 2.8 34.0 8.4 10 10 A D T 3 S+ 0 0 134 4,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.439 75.8 116.5-101.5 3.6 -0.5 35.7 9.1 11 11 A D <> - 0 0 22 -3,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.528 67.6-136.0 -68.1 124.6 -2.5 32.4 9.2 12 12 A P H > S+ 0 0 103 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.870 104.0 46.3 -56.1 -40.6 -3.9 32.2 12.8 13 13 A T H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 6,-0.2 0.878 110.3 53.7 -69.0 -38.1 -3.0 28.5 13.1 14 14 A A H 4>S+ 0 0 2 2,-0.2 5,-2.2 1,-0.2 4,-0.5 0.900 111.2 47.0 -61.6 -39.4 0.5 29.1 11.7 15 15 A I H ><5S+ 0 0 93 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.953 112.6 48.5 -64.0 -48.9 1.0 31.8 14.3 16 16 A A H 3<5S+ 0 0 78 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.864 118.2 40.2 -60.6 -37.8 -0.2 29.6 17.1 17 17 A L T 3<5S- 0 0 37 -4,-2.4 59,-3.2 -5,-0.1 -1,-0.3 0.379 107.0-124.9 -91.2 -0.9 2.0 26.7 16.0 18 18 A K T < 5 - 0 0 114 -3,-1.1 9,-0.4 -4,-0.5 -3,-0.2 0.881 43.3-177.9 55.5 42.0 5.0 28.9 15.2 19 19 A Y < + 0 0 25 -5,-2.2 2,-0.3 -6,-0.2 56,-0.2 -0.446 11.6 178.0 -65.9 141.2 5.2 27.6 11.7 20 20 A N B -B 74 0B 55 54,-2.3 54,-2.1 -2,-0.1 50,-0.1 -0.984 33.2-137.7-138.0 141.5 8.0 28.8 9.4 21 21 A Q S S+ 0 0 85 -2,-0.3 2,-0.5 52,-0.2 51,-0.3 0.603 100.3 55.2 -69.2 -11.9 8.6 27.6 5.9 22 22 A D S > S- 0 0 53 3,-0.2 3,-2.2 52,-0.1 51,-0.3 -0.962 72.0-159.3-123.0 107.1 12.3 27.5 6.7 23 23 A A G > S+ 0 0 4 49,-3.3 3,-1.1 -2,-0.5 5,-0.3 0.724 91.8 66.6 -60.8 -22.4 13.1 25.4 9.8 24 24 A T G 3 S+ 0 0 105 48,-0.3 -1,-0.3 1,-0.3 49,-0.1 0.701 101.5 49.6 -71.6 -14.9 16.4 27.3 10.2 25 25 A K G < S+ 0 0 145 -3,-2.2 2,-0.3 -5,-0.0 -1,-0.3 -0.386 100.4 97.2-111.4 43.5 14.2 30.4 11.0 26 26 A S S < S- 0 0 26 -3,-1.1 3,-0.3 -5,-0.1 -7,-0.1 -0.855 79.0-121.4-127.5 169.9 12.1 28.5 13.5 27 27 A E > + 0 0 107 -9,-0.4 4,-2.1 -2,-0.3 5,-0.2 -0.047 64.9 129.4-102.1 33.9 12.0 28.0 17.3 28 28 A R H > S+ 0 0 26 -5,-0.3 4,-1.6 1,-0.2 5,-0.5 0.846 70.9 54.8 -58.2 -35.7 12.4 24.2 17.1 29 29 A V H 4 S+ 0 0 82 -3,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.950 107.8 48.4 -63.7 -47.3 15.3 24.4 19.7 30 30 A A H 4 S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.889 112.1 49.4 -56.8 -43.3 13.2 26.2 22.2 31 31 A A H < S- 0 0 39 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.798 82.8-164.3 -72.5 -30.3 10.3 23.8 21.8 32 32 A A < - 0 0 61 -4,-1.6 -3,-0.1 -3,-0.2 -4,-0.1 0.844 13.4-166.5 50.6 43.9 12.4 20.7 22.2 33 33 A R > - 0 0 107 -5,-0.5 3,-0.6 1,-0.1 -1,-0.1 -0.301 22.3-106.8 -63.1 144.4 9.6 18.5 20.8 34 34 A P T 3 S+ 0 0 88 0, 0.0 46,-0.4 0, 0.0 -1,-0.1 -0.317 88.5 55.4 -78.3 157.0 10.3 14.8 21.4 35 35 A G T 3 S+ 0 0 52 44,-0.1 44,-0.1 -2,-0.1 -2,-0.0 -0.114 108.5 21.3 121.8 -34.7 11.4 12.2 18.9 36 36 A L S < S- 0 0 49 -3,-0.6 5,-0.1 44,-0.0 44,-0.0 -0.969 95.5 -83.3-148.9 155.2 14.6 13.7 17.4 37 37 A P > - 0 0 70 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.306 52.3-113.3 -54.3 142.4 17.1 16.3 18.5 38 38 A P G > S+ 0 0 35 0, 0.0 3,-1.8 0, 0.0 -9,-0.1 0.824 112.3 61.0 -59.7 -35.7 15.5 19.6 17.6 39 39 A E G 3 S+ 0 0 125 1,-0.3 -10,-0.1 -11,-0.1 -11,-0.0 0.684 102.8 55.6 -64.5 -14.8 18.0 20.7 14.9 40 40 A E G < S+ 0 0 101 -3,-1.9 2,-0.4 2,-0.0 -1,-0.3 0.475 87.0 103.1 -92.5 -4.6 17.0 17.5 13.0 41 41 A Q < + 0 0 0 -3,-1.8 2,-0.3 -4,-0.3 -13,-0.1 -0.672 35.9 133.8 -88.1 132.2 13.3 18.3 12.8 42 42 A H > - 0 0 58 -2,-0.4 3,-1.7 32,-0.1 32,-0.2 -0.954 67.0 -86.4-161.5 174.0 11.5 19.7 9.7 43 43 A C G > S+ 0 0 15 30,-2.0 3,-2.2 27,-0.4 6,-0.3 0.854 117.2 66.8 -57.4 -35.2 8.3 18.9 7.8 44 44 A A G 3 S+ 0 0 44 27,-2.2 -1,-0.3 1,-0.3 28,-0.1 0.787 107.4 39.9 -59.3 -28.3 9.9 16.2 5.7 45 45 A N G < S+ 0 0 41 -3,-1.7 36,-2.3 26,-0.2 2,-0.4 0.108 95.4 110.9-107.9 24.9 10.4 14.0 8.7 46 46 A C B X -C 80 0C 13 -3,-2.2 3,-1.5 34,-0.2 34,-0.2 -0.773 68.9-134.7-101.7 140.5 7.0 14.8 10.3 47 47 A Q T 3 S+ 0 0 67 32,-2.9 33,-0.1 -2,-0.4 -1,-0.1 0.724 104.3 57.0 -58.5 -29.1 4.1 12.4 10.7 48 48 A F T 3 S+ 0 0 63 31,-0.3 14,-2.5 29,-0.1 2,-0.3 0.560 78.9 107.6 -85.9 -8.6 1.6 15.1 9.5 49 49 A M E < -D 61 0D 35 -3,-1.5 2,-0.8 -6,-0.3 12,-0.3 -0.525 61.8-146.3 -73.7 135.9 3.3 15.8 6.2 50 50 A Q E > -D 60 0D 74 10,-2.6 3,-1.6 -2,-0.3 10,-1.5 -0.848 13.2-172.4-109.5 100.8 1.3 14.4 3.2 51 51 A A E 3 S+ 0 0 75 -2,-0.8 -1,-0.1 1,-0.3 -2,-0.0 0.698 83.1 58.1 -71.4 -14.4 3.7 13.3 0.5 52 52 A N E 3 S+ 0 0 167 3,-0.0 2,-0.4 7,-0.0 -1,-0.3 0.357 95.2 78.5 -96.1 8.8 0.9 12.6 -2.0 53 53 A V E < S- 0 0 58 -3,-1.6 7,-0.9 7,-0.1 2,-0.2 -0.926 92.5 -2.7-116.7 135.6 -0.4 16.3 -1.8 54 54 A G E S-D 59 0D 50 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.500 81.3 -84.0 88.7-156.9 1.3 19.2 -3.6 55 55 A E E > S-D 58 0D 150 3,-2.4 3,-2.1 -2,-0.2 2,-0.1 -0.951 72.2 -24.1-158.8 137.9 4.5 19.2 -5.8 56 56 A G T 3 S- 0 0 32 -2,-0.3 15,-0.1 1,-0.3 0, 0.0 -0.350 128.5 -8.6 64.2-129.5 8.2 19.4 -5.3 57 57 A D T 3 S+ 0 0 87 -2,-0.1 14,-2.6 1,-0.1 2,-0.7 0.475 122.2 82.2 -80.6 -1.4 9.1 21.1 -2.0 58 58 A W E < +DE 55 70D 43 -3,-2.1 -3,-2.4 12,-0.2 2,-0.2 -0.904 61.2 157.7-113.2 106.4 5.5 22.2 -1.3 59 59 A K E -DE 54 69D 43 10,-1.8 10,-3.2 -2,-0.7 -5,-0.2 -0.714 40.0 -85.6-127.1 169.0 3.5 19.3 0.2 60 60 A G E -D 50 0D 0 -10,-1.5 -10,-2.6 -7,-0.9 2,-0.4 -0.354 26.0-158.9 -74.3 158.3 0.4 18.9 2.3 61 61 A C E > -D 49 0D 13 3,-0.4 3,-1.9 6,-0.4 6,-0.3 -0.985 18.0-140.3-130.8 128.7 0.2 19.1 6.1 62 62 A Q T 3 S+ 0 0 106 -14,-2.5 -13,-0.1 -2,-0.4 -1,-0.1 0.799 103.2 56.2 -56.0 -32.5 -2.8 17.4 7.7 63 63 A L T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -15,-0.1 -14,-0.1 0.595 105.4 52.9 -76.7 -12.7 -3.1 20.3 10.2 64 64 A F S X S- 0 0 7 -3,-1.9 3,-2.0 3,-0.1 -3,-0.4 -0.661 82.1-161.4-123.0 69.4 -3.4 22.9 7.4 65 65 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.301 74.5 13.2 -62.1 135.5 -6.2 21.6 5.2 66 66 A G T 3 S+ 0 0 73 1,-0.3 2,-0.2 -5,-0.1 -6,-0.0 0.460 114.1 90.6 82.9 5.0 -6.3 23.1 1.7 67 67 A K < - 0 0 85 -3,-2.0 2,-0.4 -6,-0.3 -6,-0.4 -0.599 66.8-127.5-121.2 178.6 -2.8 24.5 2.0 68 68 A L B -a 6 0A 15 -63,-1.7 -61,-2.7 -2,-0.2 -8,-0.2 -0.994 14.4-162.2-130.0 144.1 0.8 23.6 1.4 69 69 A I E -E 59 0D 2 -10,-3.2 -10,-1.8 -2,-0.4 2,-0.4 -0.649 29.4-105.9-106.6 169.8 3.8 23.7 3.7 70 70 A N E > -E 58 0D 15 -12,-0.2 3,-2.6 -2,-0.2 -27,-0.4 -0.872 19.5-133.2 -97.3 135.8 7.5 23.6 2.6 71 71 A V T 3 S+ 0 0 20 -14,-2.6 -27,-2.2 -2,-0.4 -26,-0.2 0.691 109.2 55.4 -58.3 -21.8 9.3 20.3 3.3 72 72 A N T 3 S+ 0 0 78 -15,-0.3 -49,-3.3 -51,-0.3 -48,-0.3 0.283 95.3 95.2 -94.2 9.6 12.1 22.3 4.8 73 73 A G < - 0 0 0 -3,-2.6 -30,-2.0 -51,-0.3 2,-0.3 -0.035 55.1-156.5 -87.3-170.4 9.7 24.0 7.3 74 74 A W B -B 20 0B 2 -54,-2.1 -54,-2.3 -32,-0.2 2,-0.3 -0.955 10.6-179.4-163.4 149.9 8.8 23.4 10.9 75 75 A C > - 0 0 13 -2,-0.3 3,-2.1 -56,-0.2 -57,-0.2 -0.951 45.4 -99.9-145.5 172.4 6.0 24.0 13.4 76 76 A A T 3 S+ 0 0 33 -59,-3.2 -58,-0.1 1,-0.3 -59,-0.0 0.585 116.2 66.2 -73.3 -8.0 5.5 23.2 17.1 77 77 A S T 3 S+ 0 0 39 -60,-0.2 -1,-0.3 2,-0.1 -29,-0.1 0.384 71.0 143.8 -87.9 5.1 3.2 20.2 16.2 78 78 A W < + 0 0 6 -3,-2.1 2,-0.3 -32,-0.1 -32,-0.1 -0.163 24.0 176.3 -46.1 130.6 6.3 18.5 14.6 79 79 A T - 0 0 62 -36,-0.1 -32,-2.9 -46,-0.1 -31,-0.3 -0.995 37.4 -94.5-142.2 135.9 5.9 14.7 15.4 80 80 A L B -C 46 0C 71 -46,-0.4 2,-1.0 -2,-0.3 -34,-0.2 -0.246 37.7-113.9 -56.7 136.2 8.3 12.0 14.1 81 81 A K + 0 0 105 -36,-2.3 -1,-0.1 1,-0.2 -35,-0.1 -0.578 50.0 160.2 -69.9 103.3 7.2 10.3 10.9 82 82 A A 0 0 90 -2,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.474 360.0 360.0-106.5 -11.1 6.5 6.8 12.3 83 83 A G 0 0 93 -3,-0.1 -1,-0.2 -36,-0.0 0, 0.0 -0.994 360.0 360.0 177.3 360.0 4.3 5.4 9.6