==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-MAY-92 1CAA . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR M.W.DAY,B.T.HSU,L.JOSHUA-TOR,J.B.PARK,Z.H.ZHOU,M.W.W.ADAMS, . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 60.4 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 . 12 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.7 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 . 6 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.9 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 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 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 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 . 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 52 0, 0.0 13,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 165.6 21.4 -1.9 2.6 2 2 A K E -A 13 0A 105 49,-0.4 49,-3.1 11,-0.2 2,-0.4 -0.960 360.0-167.9-126.2 142.8 20.0 1.6 2.7 3 3 A W E -AB 12 50A 29 9,-2.5 9,-3.6 -2,-0.4 2,-0.4 -0.984 14.1-140.4-128.3 135.2 17.0 3.0 0.9 4 4 A V E -AB 11 49A 27 45,-2.9 45,-2.6 -2,-0.4 2,-0.7 -0.779 15.2-125.9-101.3 141.0 16.2 6.7 0.6 5 5 A C E > - B 0 48A 1 5,-2.8 4,-2.3 -2,-0.4 43,-0.2 -0.712 20.9-150.8 -76.9 111.5 12.7 8.2 0.9 6 6 A K T 4 S+ 0 0 127 41,-3.1 -1,-0.2 -2,-0.7 42,-0.1 0.611 89.3 54.5 -62.0 -18.9 12.5 10.1 -2.3 7 7 A I T 4 S+ 0 0 107 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.913 126.9 6.8 -80.4 -49.8 10.2 12.7 -0.8 8 8 A C T 4 S- 0 0 55 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.541 92.7-110.6-113.1 -16.4 12.1 13.8 2.3 9 9 A G < + 0 0 44 -4,-2.3 -3,-0.1 1,-0.3 2,-0.1 0.513 60.2 152.2 105.3 -11.2 15.6 12.4 2.3 10 10 A Y - 0 0 50 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.6 -0.398 38.2-139.2 -53.3 144.0 15.0 10.0 5.3 11 11 A I E -A 4 0A 70 -7,-0.2 2,-0.9 -2,-0.1 -7,-0.2 -0.902 5.2-152.8-113.7 110.0 17.3 7.0 5.0 12 12 A Y E -A 3 0A 0 -9,-3.6 -9,-2.5 -2,-0.6 2,-0.7 -0.880 17.7-167.9 -80.3 103.2 15.9 3.6 5.9 13 13 A D E >> -A 2 0A 40 -2,-0.9 3,-2.1 4,-0.4 4,-2.1 -0.943 16.7-150.3 -92.1 119.0 19.0 1.8 7.0 14 14 A E T 34 S+ 0 0 15 -13,-2.7 12,-2.5 -2,-0.7 13,-0.2 0.774 96.6 57.9 -56.0 -35.6 18.4 -1.9 7.3 15 15 A D T 34 S+ 0 0 121 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.668 112.6 40.1 -69.6 -21.0 21.0 -2.1 10.0 16 16 A A T <4 S- 0 0 50 -3,-2.1 -2,-0.2 9,-0.1 -1,-0.2 0.710 88.5-172.0 -94.0 -27.8 19.2 0.4 12.1 17 17 A G < - 0 0 3 -4,-2.1 -4,-0.4 10,-0.2 7,-0.2 -0.275 41.3 -86.7 71.1-147.3 15.6 -0.8 11.4 18 18 A D B > > +C 23 0B 11 5,-1.5 3,-2.1 6,-0.1 5,-2.1 -0.465 51.0 171.9-156.8 60.0 12.9 1.5 12.8 19 19 A P G > 5S+ 0 0 83 0, 0.0 3,-1.6 0, 0.0 5,-0.1 0.772 74.0 60.9 -48.7 -39.4 12.3 0.5 16.4 20 20 A D G 3 5S+ 0 0 146 1,-0.3 4,-0.1 2,-0.1 0, 0.0 0.560 110.8 42.6 -63.1 -26.1 10.1 3.3 17.4 21 21 A N G < 5S- 0 0 94 -3,-2.1 -1,-0.3 2,-0.2 3,-0.1 0.029 131.4 -87.4-111.0 33.5 7.7 2.2 14.7 22 22 A G T < 5S+ 0 0 69 -3,-1.6 2,-0.5 1,-0.2 -2,-0.1 0.546 89.1 122.0 77.2 25.9 7.9 -1.6 15.4 23 23 A I B < -C 18 0B 12 -5,-2.1 -5,-1.5 -7,-0.0 -1,-0.2 -0.896 50.4-145.3-124.4 117.6 10.8 -2.5 13.2 24 24 A S > - 0 0 76 -2,-0.5 3,-1.6 -7,-0.2 -6,-0.1 -0.389 35.6 -88.0 -80.8 153.3 13.9 -4.2 14.8 25 25 A P T 3 S+ 0 0 83 0, 0.0 -10,-0.2 0, 0.0 -9,-0.1 -0.400 114.7 41.0 -53.5 134.6 17.4 -3.5 13.6 26 26 A G T 3 S+ 0 0 50 -12,-2.5 2,-0.5 1,-0.3 -11,-0.1 0.228 76.5 139.8 103.7 4.2 18.2 -5.9 10.8 27 27 A T < - 0 0 28 -3,-1.6 -1,-0.3 -13,-0.2 -10,-0.2 -0.481 49.6-130.2 -87.8 124.9 14.9 -5.8 9.1 28 28 A K >> - 0 0 129 -2,-0.5 3,-0.9 1,-0.1 4,-0.6 -0.345 18.2-117.0 -67.9 153.5 15.3 -5.7 5.3 29 29 A F G >4 S+ 0 0 12 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.925 114.8 53.6 -59.2 -36.3 13.4 -3.1 3.3 30 30 A E G 34 S+ 0 0 102 1,-0.3 -1,-0.3 4,-0.0 -3,-0.0 0.813 105.6 53.7 -71.7 -24.5 11.4 -5.8 1.5 31 31 A E G <4 S+ 0 0 146 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.490 79.5 110.7 -84.0 -15.3 10.3 -7.3 4.8 32 32 A L S << S- 0 0 1 -3,-1.6 4,-0.1 -4,-0.6 -9,-0.0 -0.540 87.7 -89.2 -55.5 146.5 8.9 -4.1 6.2 33 33 A P > - 0 0 62 0, 0.0 3,-2.7 0, 0.0 12,-0.1 -0.119 35.1-113.3 -59.5 154.0 5.1 -4.4 6.4 34 34 A D T 3 S+ 0 0 151 1,-0.3 11,-0.4 -3,-0.1 -2,-0.1 0.801 117.5 46.1 -63.4 -20.2 3.2 -3.3 3.3 35 35 A D T 3 S+ 0 0 134 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.192 81.4 121.6-105.1 11.9 1.8 -0.4 5.2 36 36 A W < - 0 0 17 -3,-2.7 9,-0.7 -4,-0.1 2,-0.3 -0.561 46.0-165.4 -66.5 150.5 5.0 0.8 6.9 37 37 A V B -D 44 0C 63 -2,-0.2 6,-0.2 7,-0.2 -2,-0.1 -0.891 32.7 -74.6-136.0 169.3 5.7 4.4 6.0 38 38 A C > - 0 0 2 5,-2.7 4,-2.0 -2,-0.3 5,-0.0 -0.359 40.7-139.5 -66.4 121.9 8.5 6.8 6.2 39 39 A P T 4 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.660 97.0 44.2 -60.3 -10.4 8.8 7.8 9.9 40 40 A I T 4 S+ 0 0 118 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.912 130.1 10.2 -99.8 -56.6 9.4 11.4 8.9 41 41 A C T 4 S- 0 0 57 2,-0.1 -3,-0.1 -31,-0.0 -1,-0.0 0.522 91.9-117.1-103.2 -12.7 7.0 12.4 6.1 42 42 A G < + 0 0 41 -4,-2.0 0, 0.0 1,-0.2 0, 0.0 0.370 55.4 159.2 87.5 12.7 4.5 9.5 6.0 43 43 A A - 0 0 9 -6,-0.2 -5,-2.7 1,-0.1 -1,-0.2 -0.170 41.7-113.9 -70.3 145.2 5.4 8.4 2.4 44 44 A P B > -D 37 0C 72 0, 0.0 3,-2.3 0, 0.0 -7,-0.2 -0.210 32.7 -98.5 -71.2 167.4 4.5 4.8 1.4 45 45 A K G > S+ 0 0 31 -9,-0.7 3,-2.2 -11,-0.4 -8,-0.1 0.830 117.4 73.5 -56.9 -30.5 7.1 2.2 0.7 46 46 A S G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -41,-0.0 -3,-0.0 0.746 89.3 60.6 -58.6 -17.3 6.7 2.8 -3.0 47 47 A E G < S+ 0 0 71 -3,-2.3 -41,-3.1 2,-0.0 2,-0.4 0.265 85.4 95.9 -95.0 7.7 8.5 6.2 -2.7 48 48 A F E < -B 5 0A 14 -3,-2.2 2,-0.4 -43,-0.2 -43,-0.2 -0.863 55.7-160.6 -94.3 156.4 11.7 4.7 -1.4 49 49 A E E -B 4 0A 88 -45,-2.6 -45,-2.9 -2,-0.4 2,-0.3 -0.942 21.6-118.7-139.8 121.5 14.7 3.9 -3.7 50 50 A K E -B 3 0A 59 -2,-0.4 2,-1.4 -47,-0.3 -47,-0.3 -0.560 21.6-128.1 -57.7 145.1 17.5 1.6 -2.8 51 51 A L S S+ 0 0 93 -49,-3.1 -49,-0.4 -2,-0.3 2,-0.3 -0.696 73.3 98.2 -99.3 76.1 20.9 3.2 -2.7 52 52 A E 0 0 126 -2,-1.4 -2,-0.0 -51,-0.1 0, 0.0 -0.938 360.0 360.0-146.5 157.1 22.8 0.8 -5.0 53 53 A D 0 0 205 -2,-0.3 -3,-0.0 0, 0.0 -2,-0.0 -0.504 360.0 360.0 -76.0 360.0 23.6 1.1 -8.6