==== 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 26-NOV-98 1B13 . 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) . 3750.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 57.4 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 . 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 . 5 9.3 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 0 138 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 142.5 19.4 27.0 7.3 2 2 A K - 0 0 107 13,-0.1 28,-0.4 12,-0.1 2,-0.1 -0.570 360.0-119.5 -94.8 152.6 16.2 27.1 9.4 3 3 A K - 0 0 106 49,-0.4 49,-3.1 -2,-0.2 2,-0.4 -0.493 26.9-152.8 -81.0 144.9 15.7 28.5 12.8 4 4 A Y E -AB 13 51A 37 9,-1.8 9,-3.4 47,-0.3 2,-0.4 -0.982 3.4-148.9-121.0 140.3 14.5 26.1 15.5 5 5 A T E -AB 12 50A 37 45,-2.7 45,-2.0 -2,-0.4 2,-0.7 -0.915 18.4-123.2-115.4 138.9 12.5 26.9 18.6 6 6 A C E > - B 0 49A 0 5,-3.0 4,-2.6 -2,-0.4 43,-0.2 -0.718 20.7-155.0 -69.0 117.0 12.5 25.3 22.0 7 7 A T T 4 S+ 0 0 69 41,-2.5 -1,-0.2 -2,-0.7 42,-0.1 0.554 88.2 54.9 -77.5 -4.6 8.8 24.3 22.5 8 8 A V T 4 S+ 0 0 85 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.867 129.5 6.5 -89.7 -44.7 9.2 24.4 26.3 9 9 A C T 4 S- 0 0 50 2,-0.1 -2,-0.2 -3,-0.0 -4,-0.0 0.538 93.6-116.9-119.2 -11.2 10.5 27.9 26.8 10 10 A A < + 0 0 68 -4,-2.6 -3,-0.1 1,-0.3 0, 0.0 0.370 55.7 154.4 85.1 5.7 10.4 29.6 23.4 11 11 A Y - 0 0 40 -6,-0.1 -5,-3.0 -5,-0.1 2,-0.5 -0.293 36.2-137.9 -53.7 146.1 14.2 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 -0.944 4.7-148.1-116.1 126.0 15.2 30.4 19.3 13 13 A Y E -A 4 0A 0 -9,-3.4 -9,-1.8 -2,-0.5 17,-0.1 -0.830 16.1-166.9 -86.4 118.2 18.2 28.7 17.9 14 14 A N >> - 0 0 38 -2,-0.7 4,-2.1 4,-0.4 3,-1.6 -0.947 14.7-152.4-108.7 117.9 19.5 30.8 15.0 15 15 A P T 34 S+ 0 0 4 0, 0.0 12,-3.6 0, 0.0 13,-0.6 0.750 94.2 62.6 -61.5 -26.7 22.1 29.0 12.9 16 16 A E T 34 S+ 0 0 150 10,-0.2 13,-0.0 1,-0.2 -13,-0.0 0.791 116.0 30.6 -62.7 -36.7 23.7 32.4 11.9 17 17 A D T <4 S- 0 0 95 -3,-1.6 -1,-0.2 1,-0.1 7,-0.1 0.669 90.7-171.0 -93.9 -28.8 24.6 33.0 15.6 18 18 A G < - 0 0 7 -4,-2.1 -4,-0.4 7,-0.2 7,-0.2 -0.206 42.5 -84.6 63.9-154.5 25.1 29.5 16.8 19 19 A D B > > +C 24 0B 14 5,-2.5 5,-2.2 -4,-0.1 3,-1.5 -0.596 54.4 172.4-145.2 65.4 25.5 29.0 20.6 20 20 A P G > 5 + 0 0 71 0, 0.0 3,-1.9 0, 0.0 5,-0.1 0.820 69.7 63.4 -59.5 -31.4 29.2 29.6 20.9 21 21 A D G 3 5S+ 0 0 153 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.754 109.7 42.9 -62.5 -25.6 29.4 29.6 24.7 22 22 A N G < 5S- 0 0 99 -3,-1.5 -1,-0.3 2,-0.2 3,-0.1 0.153 128.7 -95.1-107.9 20.9 28.3 25.9 24.6 23 23 A G T < 5S+ 0 0 60 -3,-1.9 2,-0.8 1,-0.2 -2,-0.1 0.603 84.6 127.9 85.0 11.2 30.6 25.0 21.7 24 24 A V B < -C 19 0B 5 -5,-2.2 -5,-2.5 9,-0.1 -1,-0.2 -0.877 48.9-148.3-104.9 104.7 28.1 25.4 18.8 25 25 A N > - 0 0 103 -2,-0.8 3,-1.3 -7,-0.2 -7,-0.2 -0.376 27.4 -87.8 -74.2 155.1 29.8 27.7 16.2 26 26 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.236 115.3 38.9 -50.0 138.7 27.9 30.1 14.0 27 27 A G T 3 S+ 0 0 47 -12,-3.6 2,-0.6 1,-0.3 -11,-0.2 0.509 80.2 137.7 94.2 2.8 26.9 28.3 10.8 28 28 A T < - 0 0 33 -3,-1.3 -1,-0.3 -13,-0.6 -10,-0.1 -0.760 50.5-135.5 -88.0 119.6 25.9 25.1 12.5 29 29 A D >> - 0 0 47 -2,-0.6 3,-1.2 1,-0.1 4,-0.7 -0.421 23.4-116.3 -65.5 145.6 22.7 23.5 11.2 30 30 A F G >4 S+ 0 0 13 -28,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.883 114.1 58.6 -53.4 -41.5 20.5 22.3 14.1 31 31 A K G 34 S+ 0 0 140 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.848 105.1 52.0 -58.1 -33.2 20.8 18.7 12.9 32 32 A D G <4 S+ 0 0 95 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.516 79.1 109.9 -85.3 -7.0 24.6 18.9 13.3 33 33 A I S << S- 0 0 2 -3,-1.4 -9,-0.1 -4,-0.7 4,-0.0 -0.497 90.6 -91.6 -63.2 135.1 24.6 20.2 16.9 34 34 A P > - 0 0 78 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.209 36.0-122.0 -49.5 137.5 25.9 17.4 19.1 35 35 A D T 3 S+ 0 0 137 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.502 107.1 61.9 -71.8 0.4 22.9 15.4 20.3 36 36 A D T 3 S+ 0 0 138 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.403 77.5 116.4-102.3 6.3 23.6 16.0 24.0 37 37 A W < - 0 0 18 -3,-2.3 9,-0.7 1,-0.0 2,-0.3 -0.354 49.9-158.5 -71.0 145.6 23.3 19.8 23.7 38 38 A V B -D 45 0C 70 7,-0.2 7,-0.2 8,-0.1 6,-0.1 -0.884 31.7 -79.4-124.6 159.1 20.4 21.3 25.7 39 39 A C > - 0 0 2 5,-3.1 4,-2.1 -2,-0.3 5,-0.0 -0.383 37.1-138.9 -56.6 134.0 18.5 24.5 25.5 40 40 A P T 4 S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.766 97.7 41.3 -69.2 -25.7 20.6 27.3 27.0 41 41 A L T 4 S+ 0 0 127 3,-0.1 -2,-0.1 1,-0.1 -3,-0.0 0.913 132.2 13.4 -89.7 -44.9 17.6 28.9 28.8 42 42 A C T 4 S- 0 0 51 2,-0.1 -1,-0.1 -31,-0.0 -3,-0.1 0.492 90.2-125.7-116.1 -6.4 15.6 25.9 30.1 43 43 A G < + 0 0 45 -4,-2.1 2,-0.1 1,-0.2 0, 0.0 0.514 57.4 139.1 78.6 6.5 17.9 22.9 29.9 44 44 A V - 0 0 39 1,-0.1 -5,-3.1 -6,-0.1 -1,-0.2 -0.462 52.7-100.2 -81.8 161.5 15.7 20.5 27.9 45 45 A G B > -D 38 0C 26 -7,-0.2 3,-1.8 -2,-0.1 -7,-0.2 -0.082 33.2 -96.4 -75.7 173.5 17.1 18.4 25.1 46 46 A K G > S+ 0 0 24 -9,-0.7 3,-1.9 -11,-0.3 -1,-0.1 0.783 113.4 74.9 -60.5 -24.6 17.0 18.7 21.3 47 47 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -41,-0.0 -2,-0.0 0.626 89.6 58.8 -71.7 -5.8 13.9 16.5 21.1 48 48 A Q G < S+ 0 0 75 -3,-1.8 -41,-2.5 2,-0.0 -1,-0.3 0.321 90.2 94.9 -99.1 7.4 11.7 19.3 22.4 49 49 A F E < -B 6 0A 17 -3,-1.9 2,-0.3 -43,-0.2 -43,-0.2 -0.652 55.0-165.6 -97.7 153.0 12.7 21.7 19.6 50 50 A E E -B 5 0A 128 -45,-2.0 -45,-2.7 -2,-0.2 2,-0.1 -0.992 29.1 -98.0-137.0 146.3 10.8 22.2 16.3 51 51 A E E -B 4 0A 76 -2,-0.3 2,-1.1 -47,-0.2 -47,-0.3 -0.354 29.5-129.6 -57.9 137.4 11.7 23.8 13.0 52 52 A V - 0 0 57 -49,-3.1 2,-0.4 -2,-0.1 -49,-0.4 -0.841 31.8-170.1 -89.3 91.3 10.5 27.4 12.5 53 53 A E 0 0 133 -2,-1.1 -49,-0.0 -51,-0.1 -51,-0.0 -0.839 360.0 360.0 -84.5 134.9 8.8 26.9 9.2 54 54 A E 0 0 242 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.926 360.0 360.0-123.5 360.0 7.9 30.3 7.6