==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 27-NOV-98 1B2J . COMPND 2 MOLECULE: PROTEIN (RUBREDOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR M.J.MAHER,J.M.GUSS,M.C.J.WILCE,A.G.WEDD . 54 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 59.3 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 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.6 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 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 7.4 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 0 128 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 154.2 19.3 27.2 7.2 2 2 A K - 0 0 105 13,-0.1 28,-0.4 12,-0.1 2,-0.2 -0.503 360.0-122.5 -93.3 152.7 16.2 27.2 9.3 3 3 A K - 0 0 102 49,-0.4 49,-2.9 -2,-0.2 2,-0.4 -0.513 25.6-153.8 -83.5 143.2 15.7 28.6 12.8 4 4 A Y E -AB 13 51A 36 9,-1.8 9,-3.4 47,-0.3 2,-0.4 -0.996 2.5-147.7-117.8 148.1 14.5 26.2 15.5 5 5 A T E -AB 12 50A 37 45,-2.8 45,-2.0 -2,-0.4 2,-0.7 -0.863 18.2-124.4-120.8 136.2 12.5 27.0 18.6 6 6 A C E > - B 0 49A 0 5,-2.9 4,-2.0 -2,-0.4 43,-0.2 -0.769 21.0-156.6 -66.9 114.5 12.6 25.4 22.1 7 7 A T T 4 S+ 0 0 69 41,-2.6 -1,-0.2 -2,-0.7 42,-0.1 0.615 87.6 56.2 -76.0 -9.4 8.9 24.4 22.5 8 8 A V T 4 S+ 0 0 83 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.917 129.0 5.1 -83.3 -41.6 9.3 24.4 26.3 9 9 A C T 4 S- 0 0 58 2,-0.1 -2,-0.2 -3,-0.1 -4,-0.0 0.651 94.3-114.6-130.5 -4.1 10.7 28.0 26.9 10 10 A G < + 0 0 38 -4,-2.0 -3,-0.1 1,-0.3 0, 0.0 0.327 56.3 154.7 89.1 -3.0 10.6 29.7 23.5 11 11 A Y - 0 0 41 -6,-0.1 -5,-2.9 1,-0.1 2,-0.5 -0.193 35.5-139.7 -52.1 142.7 14.3 30.2 23.0 12 12 A I E -A 5 0A 90 -7,-0.2 2,-0.7 -9,-0.0 -7,-0.2 -0.941 3.5-148.0-113.1 121.6 15.2 30.5 19.3 13 13 A Y E -A 4 0A 0 -9,-3.4 -9,-1.8 -2,-0.5 17,-0.1 -0.799 15.3-166.3 -85.4 118.8 18.2 28.8 17.8 14 14 A N >> - 0 0 39 -2,-0.7 4,-1.9 4,-0.4 3,-1.8 -0.938 14.2-152.2-107.6 116.0 19.5 30.9 15.0 15 15 A P T 34 S+ 0 0 4 0, 0.0 12,-3.2 0, 0.0 13,-0.6 0.790 94.8 60.9 -60.1 -26.9 22.0 29.1 12.8 16 16 A E T 34 S+ 0 0 156 1,-0.2 13,-0.0 10,-0.2 -13,-0.0 0.769 115.8 32.3 -65.6 -32.1 23.7 32.4 11.9 17 17 A D T <4 S- 0 0 97 -3,-1.8 -1,-0.2 9,-0.1 7,-0.1 0.622 90.2-172.2 -91.8 -35.0 24.5 33.1 15.5 18 18 A G < - 0 0 7 -4,-1.9 -4,-0.4 1,-0.2 7,-0.2 -0.105 42.6 -84.7 66.8-154.3 25.1 29.5 16.8 19 19 A D B > > +C 24 0B 15 5,-2.4 5,-2.2 -4,-0.1 3,-1.5 -0.578 53.9 172.6-145.1 64.9 25.6 29.0 20.5 20 20 A P G > 5 + 0 0 73 0, 0.0 3,-2.0 0, 0.0 5,-0.1 0.825 68.9 64.2 -58.6 -31.9 29.3 29.7 20.8 21 21 A D G 3 5S+ 0 0 155 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.734 109.8 41.7 -62.0 -26.6 29.5 29.6 24.6 22 22 A N G < 5S- 0 0 101 -3,-1.5 -1,-0.3 2,-0.2 3,-0.1 0.078 129.3 -93.0-108.1 24.6 28.5 26.0 24.5 23 23 A G T < 5S+ 0 0 58 -3,-2.0 2,-0.8 1,-0.2 -2,-0.1 0.618 85.5 126.5 85.4 7.7 30.6 25.0 21.5 24 24 A V B < -C 19 0B 6 -5,-2.2 -5,-2.4 9,-0.1 -1,-0.2 -0.877 49.2-150.5-103.8 104.4 28.2 25.5 18.7 25 25 A N > - 0 0 103 -2,-0.8 3,-1.2 -7,-0.2 -7,-0.2 -0.347 28.2 -84.8 -74.3 156.5 29.8 27.8 16.2 26 26 A P T 3 S+ 0 0 82 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.223 115.0 37.0 -50.0 140.6 28.0 30.2 13.9 27 27 A G T 3 S+ 0 0 47 -12,-3.2 2,-0.6 1,-0.3 -11,-0.2 0.553 80.4 139.4 90.3 6.0 26.8 28.5 10.7 28 28 A T < - 0 0 33 -3,-1.2 -1,-0.3 -13,-0.6 -10,-0.1 -0.782 49.7-135.3 -88.4 121.1 25.9 25.2 12.4 29 29 A D >> - 0 0 45 -2,-0.6 3,-1.2 1,-0.1 4,-0.7 -0.387 22.7-117.4 -66.0 145.0 22.7 23.7 11.1 30 30 A F G >4 S+ 0 0 14 -28,-0.4 3,-1.1 1,-0.2 -1,-0.1 0.868 114.1 59.2 -55.6 -35.7 20.5 22.4 14.0 31 31 A K G 34 S+ 0 0 141 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.830 104.7 52.4 -64.5 -27.0 20.8 18.8 12.7 32 32 A D G <4 S+ 0 0 96 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.547 80.0 109.6 -87.7 -8.6 24.6 19.0 13.1 33 33 A I S << S- 0 0 1 -3,-1.1 -9,-0.1 -4,-0.7 4,-0.1 -0.496 88.2 -95.6 -63.7 131.5 24.6 20.2 16.7 34 34 A P > - 0 0 77 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.183 33.8-121.7 -48.4 138.8 25.9 17.4 18.9 35 35 A D T 3 S+ 0 0 138 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.505 106.7 63.7 -73.0 0.2 22.9 15.5 20.3 36 36 A D T 3 S+ 0 0 142 9,-0.1 -1,-0.3 10,-0.1 2,-0.0 0.421 76.9 115.6 -98.9 7.7 23.8 16.1 23.9 37 37 A W < - 0 0 17 -3,-2.3 9,-0.8 -4,-0.1 2,-0.3 -0.372 50.1-159.9 -74.5 143.8 23.4 19.9 23.6 38 38 A V B -D 45 0C 67 7,-0.2 7,-0.2 8,-0.1 6,-0.1 -0.879 32.1 -79.0-126.8 154.8 20.6 21.4 25.7 39 39 A C > - 0 0 2 5,-3.0 4,-1.9 -2,-0.3 6,-0.0 -0.365 37.3-135.8 -52.2 131.0 18.6 24.6 25.5 40 40 A P T 4 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.791 99.3 38.3 -64.1 -25.9 20.7 27.4 26.9 41 41 A L T 4 S+ 0 0 125 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.921 132.6 15.3 -93.4 -41.0 17.7 28.8 28.8 42 42 A C T 4 S- 0 0 44 2,-0.1 -1,-0.1 -31,-0.0 -3,-0.1 0.424 89.8-128.7-118.3 -4.3 15.7 25.8 30.2 43 43 A A < + 0 0 69 -4,-1.9 2,-0.2 1,-0.2 0, 0.0 0.583 56.3 140.7 67.8 22.8 18.1 23.0 29.7 44 44 A V - 0 0 38 1,-0.1 -5,-3.0 -6,-0.1 -1,-0.2 -0.526 52.2-101.3 -88.1 158.9 15.8 20.6 27.9 45 45 A G B > -D 38 0C 25 -7,-0.2 3,-1.9 -2,-0.2 -7,-0.2 -0.047 32.9 -94.0 -76.7 174.7 17.2 18.5 25.0 46 46 A K G > S+ 0 0 27 -9,-0.8 3,-2.1 -11,-0.3 -1,-0.1 0.801 113.0 76.2 -56.7 -26.4 17.0 18.8 21.2 47 47 A D G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -41,-0.0 -2,-0.0 0.678 89.8 57.1 -69.7 -8.3 14.0 16.6 21.0 48 48 A Q G < S+ 0 0 76 -3,-1.9 -41,-2.6 2,-0.0 -1,-0.3 0.313 91.0 95.6-101.2 11.5 11.7 19.4 22.4 49 49 A F E < -B 6 0A 17 -3,-2.1 2,-0.3 -43,-0.2 -43,-0.2 -0.681 53.8-168.1 -99.3 152.3 12.8 21.7 19.5 50 50 A E E -B 5 0A 127 -45,-2.0 -45,-2.8 -2,-0.3 -2,-0.0 -0.996 29.9 -96.3-137.7 149.0 10.9 22.3 16.3 51 51 A E E -B 4 0A 74 -2,-0.3 2,-0.9 -47,-0.2 -47,-0.3 -0.291 30.2-129.4 -59.2 138.5 11.6 24.0 13.0 52 52 A V - 0 0 58 -49,-2.9 -49,-0.4 2,-0.0 2,-0.3 -0.885 37.4-176.8 -89.9 96.8 10.4 27.5 12.7 53 53 A E 0 0 128 -2,-0.9 -3,-0.0 -51,-0.1 -49,-0.0 -0.798 360.0 360.0 -95.9 153.4 8.6 27.2 9.3 54 54 A E 0 0 237 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.983 360.0 360.0-155.9 360.0 7.0 30.2 7.6