==== 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 TRANSPORT 01-AUG-00 1FHH . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR T.MIN,C.E.ERGENEKAN,M.K.EIDSNESS,T.ICHIYE,C.KANG . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 58.5 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 . 11 20.8 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 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 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 M 0 0 132 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 126.2 19.5 26.8 7.4 2 2 A K - 0 0 116 13,-0.1 28,-0.4 1,-0.1 2,-0.1 -0.495 360.0-117.7 -90.0 155.3 16.3 27.1 9.4 3 3 A K - 0 0 108 49,-0.3 49,-2.5 -2,-0.2 2,-0.4 -0.501 29.3-155.2 -82.2 157.5 15.8 28.5 12.8 4 4 A Y E -AB 13 51A 39 9,-2.1 9,-3.4 47,-0.3 2,-0.4 -0.989 2.5-144.1-133.2 141.9 14.4 26.1 15.4 5 5 A T E -AB 12 50A 30 45,-2.8 45,-1.8 -2,-0.4 2,-0.5 -0.908 16.9-125.1-114.2 142.8 12.5 26.8 18.5 6 6 A C E > - B 0 49A 0 5,-2.9 4,-2.3 -2,-0.4 43,-0.2 -0.667 22.4-154.4 -71.4 120.5 12.5 25.2 21.9 7 7 A T T 4 S+ 0 0 74 41,-2.9 -1,-0.2 -2,-0.5 42,-0.1 0.668 87.4 57.6 -84.0 -1.5 8.8 24.4 22.3 8 8 A V T 4 S+ 0 0 82 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.855 127.4 6.3 -89.9 -36.2 9.2 24.4 26.1 9 9 A C T 4 S- 0 0 46 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.504 94.6-114.4-124.7 -10.3 10.5 27.9 26.7 10 10 A G < + 0 0 42 -4,-2.3 -3,-0.1 1,-0.3 0, 0.0 0.384 57.9 154.0 89.2 -5.8 10.4 29.6 23.2 11 11 A Y - 0 0 55 -6,-0.1 -5,-2.9 -5,-0.1 2,-0.5 -0.286 35.6-141.7 -48.9 134.1 14.3 30.0 22.8 12 12 A I E -A 5 0A 72 -7,-0.2 2,-0.8 37,-0.1 -7,-0.3 -0.924 3.2-146.4-109.3 123.2 15.1 30.2 19.1 13 13 A Y E -A 4 0A 0 -9,-3.4 -9,-2.1 -2,-0.5 17,-0.1 -0.811 16.3-165.7 -88.1 122.3 18.2 28.5 17.8 14 14 A N >> - 0 0 36 -2,-0.8 4,-1.7 4,-0.3 3,-0.8 -0.937 14.8-151.4-108.4 120.1 19.4 30.6 14.9 15 15 A P T 34 S+ 0 0 3 0, 0.0 12,-3.1 0, 0.0 13,-0.4 0.749 93.1 63.1 -66.8 -24.1 22.0 28.8 12.7 16 16 A E T 34 S+ 0 0 153 1,-0.2 13,-0.0 10,-0.2 -13,-0.0 0.865 116.0 30.5 -64.2 -33.5 23.7 32.2 11.8 17 17 A D T <4 S- 0 0 98 -3,-0.8 -1,-0.2 9,-0.2 7,-0.1 0.720 91.6-168.9 -96.6 -20.4 24.6 32.8 15.3 18 18 A G < - 0 0 7 -4,-1.7 -4,-0.3 7,-0.2 7,-0.2 -0.065 44.9 -83.3 62.2-156.5 25.0 29.2 16.6 19 19 A D B > > +C 24 0B 12 5,-2.1 5,-2.4 -4,-0.1 3,-1.4 -0.552 55.6 173.3-140.1 71.1 25.3 28.8 20.3 20 20 A P G > 5 + 0 0 71 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.826 69.9 65.0 -66.8 -25.5 29.1 29.5 20.6 21 21 A D G 3 5S+ 0 0 155 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.832 109.8 40.0 -59.6 -26.1 29.2 29.5 24.5 22 22 A N G < 5S- 0 0 100 -3,-1.4 -1,-0.3 2,-0.2 3,-0.1 0.166 129.8 -93.2-113.3 14.9 28.3 25.9 24.4 23 23 A G T < 5S+ 0 0 55 -3,-1.7 2,-0.8 1,-0.2 -2,-0.1 0.655 85.3 126.7 84.3 22.3 30.5 25.0 21.5 24 24 A V B < -C 19 0B 5 -5,-2.4 -5,-2.1 -7,-0.1 -1,-0.2 -0.879 49.9-147.2-113.2 113.7 28.1 25.4 18.7 25 25 A N > - 0 0 105 -2,-0.8 3,-2.1 -7,-0.2 -7,-0.2 -0.314 27.3 -84.2 -78.3 149.5 29.6 27.7 16.2 26 26 A P T 3 S+ 0 0 82 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.212 116.7 33.5 -42.8 138.0 27.9 30.1 13.9 27 27 A G T 3 S+ 0 0 41 -12,-3.1 2,-0.6 1,-0.3 -11,-0.2 0.442 79.6 139.2 85.9 -1.5 26.7 28.4 10.7 28 28 A T < - 0 0 32 -3,-2.1 -1,-0.3 -13,-0.4 -10,-0.2 -0.655 51.7-134.3 -76.7 125.7 25.9 25.0 12.4 29 29 A D >> - 0 0 32 -2,-0.6 3,-1.7 1,-0.1 4,-0.6 -0.448 22.0-116.5 -67.3 147.2 22.7 23.6 11.0 30 30 A F G >4 S+ 0 0 14 -28,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.850 115.9 58.8 -55.3 -36.5 20.5 22.4 13.9 31 31 A K G 34 S+ 0 0 147 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.706 104.9 52.3 -67.6 -21.3 20.7 18.8 12.6 32 32 A D G <4 S+ 0 0 96 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.476 80.8 111.1 -93.1 -6.0 24.5 19.0 13.0 33 33 A I S << S- 0 0 2 -3,-1.0 -9,-0.1 -4,-0.6 4,-0.0 -0.493 88.3 -95.8 -61.7 130.8 24.4 20.2 16.7 34 34 A P > - 0 0 77 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.302 35.2-122.0 -51.7 137.4 25.9 17.3 19.0 35 35 A D T 3 S+ 0 0 137 1,-0.3 11,-0.3 -4,-0.1 -2,-0.1 0.516 108.7 62.1 -67.9 -4.2 22.8 15.4 20.2 36 36 A D T 3 S+ 0 0 140 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.380 77.9 114.4 -95.6 -5.2 23.7 16.0 23.9 37 37 A W < - 0 0 16 -3,-2.5 9,-0.8 1,-0.0 2,-0.3 -0.415 52.4-158.4 -60.7 141.7 23.3 19.9 23.5 38 38 A V B -D 45 0C 70 7,-0.2 7,-0.2 -2,-0.1 6,-0.1 -0.898 32.9 -78.8-123.7 156.8 20.4 21.4 25.5 39 39 A C > - 0 0 2 5,-2.4 4,-1.7 -2,-0.3 7,-0.0 -0.350 37.1-137.6 -55.1 129.8 18.5 24.5 25.2 40 40 A P T 4 S+ 0 0 59 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.766 99.1 45.4 -67.1 -18.0 20.7 27.3 26.7 41 41 A L T 4 S+ 0 0 118 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.932 130.8 9.1 -85.6 -65.3 17.5 28.7 28.3 42 42 A C T 4 S- 0 0 51 2,-0.1 -1,-0.0 -31,-0.0 -3,-0.0 0.642 89.8-126.5-101.5 -12.7 15.6 25.9 29.9 43 43 A G < + 0 0 41 -4,-1.7 2,-0.1 1,-0.2 0, 0.0 0.534 59.5 138.2 87.6 8.0 18.0 23.0 29.6 44 44 A V - 0 0 42 1,-0.2 -5,-2.4 -6,-0.1 -1,-0.2 -0.350 53.8-101.8 -84.4 162.2 15.7 20.5 27.8 45 45 A G B > -D 38 0C 26 -7,-0.2 3,-2.0 1,-0.1 -7,-0.2 -0.136 33.3 -90.6 -78.4-179.3 17.2 18.5 24.9 46 46 A K G > S+ 0 0 27 -9,-0.8 3,-2.1 -11,-0.3 -1,-0.1 0.789 113.4 75.3 -58.0 -29.6 16.9 18.8 21.2 47 47 A D G 3 S+ 0 0 139 1,-0.3 -1,-0.3 -41,-0.0 -2,-0.0 0.683 90.1 59.9 -67.6 -9.1 13.8 16.5 21.0 48 48 A Q G < S+ 0 0 75 -3,-2.0 -41,-2.9 2,-0.0 -1,-0.3 0.433 90.4 95.1 -93.3 10.2 11.7 19.5 22.3 49 49 A F E < -B 6 0A 15 -3,-2.1 2,-0.3 -43,-0.2 -43,-0.2 -0.681 54.0-167.1-104.6 148.5 12.7 21.7 19.3 50 50 A E E -B 5 0A 132 -45,-1.8 -45,-2.8 -2,-0.3 -2,-0.0 -0.996 30.5-103.0-134.4 139.7 10.9 22.2 16.1 51 51 A E E -B 4 0A 57 -2,-0.3 2,-0.7 -47,-0.3 -47,-0.3 -0.178 30.5-131.2 -52.9 134.0 11.9 23.8 12.8 52 52 A V 0 0 69 -49,-2.5 -49,-0.3 1,-0.0 -1,-0.1 -0.853 360.0 360.0 -84.9 116.3 10.4 27.2 12.6 53 53 A E 0 0 203 -2,-0.7 -49,-0.0 -51,-0.1 -2,-0.0 -0.561 360.0 360.0 -93.5 360.0 8.9 26.9 9.0