==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-SEP-03 1R0H . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR M.MAHER,M.CROSS,M.C.J.WILCE,J.M.GUSS,A.G.WEDD . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3523.0 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 . 3 5.7 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 0.000 360.0 360.0 360.0 151.7 19.2 27.3 6.6 2 2 A K - 0 0 101 13,-0.1 28,-0.3 12,-0.1 2,-0.2 -0.541 360.0-124.1 -92.9 146.7 16.1 27.1 8.8 3 3 A K - 0 0 97 49,-0.3 49,-2.7 -2,-0.2 2,-0.4 -0.540 24.5-154.4 -77.3 149.3 15.6 28.5 12.3 4 4 A Y E -AB 13 51A 37 9,-1.9 9,-3.3 47,-0.3 2,-0.4 -0.984 2.3-150.1-126.7 142.5 14.4 26.1 15.0 5 5 A T E -AB 12 50A 35 45,-2.7 45,-1.9 -2,-0.4 2,-0.6 -0.910 18.7-123.1-115.9 143.3 12.5 26.9 18.2 6 6 A C E > - B 0 49A 1 5,-3.1 4,-2.2 -2,-0.4 43,-0.2 -0.711 20.3-156.5 -75.3 117.0 12.5 25.3 21.6 7 7 A T T 4 S+ 0 0 72 41,-2.7 -1,-0.1 -2,-0.6 42,-0.1 0.604 87.1 55.9 -79.3 -7.9 8.9 24.3 22.1 8 8 A V T 4 S+ 0 0 85 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.890 130.0 3.4 -85.2 -45.7 9.3 24.3 25.9 9 9 A C T 4 S- 0 0 60 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.567 94.7-112.6-121.5 -13.9 10.6 27.9 26.5 10 10 A G < + 0 0 43 -4,-2.2 -3,-0.1 1,-0.3 0, 0.0 0.377 55.4 156.2 96.2 -4.2 10.6 29.7 23.1 11 11 A Y - 0 0 40 -6,-0.1 -5,-3.1 -5,-0.1 2,-0.5 -0.274 34.5-140.8 -47.8 136.9 14.4 30.1 22.6 12 12 A I E -A 5 0A 79 -7,-0.2 2,-0.7 2,-0.0 -7,-0.2 -0.943 3.0-147.4-109.5 121.3 15.1 30.4 18.9 13 13 A Y E -A 4 0A 0 -9,-3.3 -9,-1.9 -2,-0.5 17,-0.1 -0.805 15.1-167.2 -82.5 117.9 18.2 28.7 17.4 14 14 A N >> - 0 0 27 -2,-0.7 4,-1.9 4,-0.4 3,-1.4 -0.938 14.2-152.9-108.6 114.4 19.5 30.9 14.5 15 15 A P T 34 S+ 0 0 3 0, 0.0 12,-3.2 0, 0.0 13,-0.6 0.791 94.6 62.0 -61.5 -27.7 22.0 29.0 12.4 16 16 A E T 34 S+ 0 0 150 10,-0.2 13,-0.0 1,-0.2 -13,-0.0 0.819 115.5 31.8 -60.4 -34.5 23.6 32.4 11.4 17 17 A D T <4 S- 0 0 103 -3,-1.4 -1,-0.2 1,-0.1 7,-0.1 0.688 90.1-171.3 -92.0 -26.0 24.5 33.0 15.1 18 18 A G < - 0 0 6 -4,-1.9 -4,-0.4 1,-0.2 7,-0.2 -0.195 42.0 -86.3 58.1-156.3 25.0 29.5 16.4 19 19 A D B > > +C 24 0B 15 5,-2.3 5,-1.9 -6,-0.1 3,-1.7 -0.545 54.1 171.5-140.3 68.5 25.5 29.0 20.1 20 20 A P G > 5 + 0 0 72 0, 0.0 3,-1.9 0, 0.0 5,-0.1 0.763 69.0 65.3 -58.7 -32.0 29.2 29.6 20.3 21 21 A D G 3 5S+ 0 0 154 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.740 109.9 40.8 -62.2 -24.4 29.4 29.6 24.2 22 22 A N G < 5S- 0 0 102 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.058 129.2 -95.1-111.4 21.3 28.4 25.9 24.0 23 23 A G T < 5S+ 0 0 59 -3,-1.9 2,-0.8 1,-0.2 -2,-0.1 0.595 83.9 127.7 83.9 14.6 30.6 25.1 21.0 24 24 A V B < -C 19 0B 5 -5,-1.9 -5,-2.3 9,-0.1 -1,-0.2 -0.896 49.6-148.9-106.2 105.9 28.1 25.4 18.2 25 25 A N > - 0 0 103 -2,-0.8 3,-1.1 -7,-0.2 -7,-0.2 -0.349 27.2 -84.3 -77.0 155.8 29.8 27.7 15.7 26 26 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.255 115.0 34.9 -52.7 144.5 27.9 30.1 13.4 27 27 A G T 3 S+ 0 0 46 -12,-3.2 2,-0.6 1,-0.3 -11,-0.2 0.561 80.6 141.2 83.4 10.7 26.7 28.5 10.2 28 28 A T < - 0 0 32 -3,-1.1 -1,-0.3 -13,-0.6 -10,-0.2 -0.794 49.6-133.5 -90.2 120.0 25.9 25.2 11.9 29 29 A D > - 0 0 42 -2,-0.6 3,-1.2 1,-0.1 4,-0.5 -0.443 22.2-117.5 -63.5 143.5 22.7 23.6 10.6 30 30 A F G > S+ 0 0 14 -28,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.868 113.9 59.0 -53.2 -41.6 20.5 22.4 13.4 31 31 A K G 3 S+ 0 0 149 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.811 104.6 52.0 -59.7 -28.0 20.8 18.8 12.2 32 32 A D G < S+ 0 0 93 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.488 80.4 110.4 -90.1 -5.4 24.5 19.0 12.6 33 33 A I S < S- 0 0 2 -3,-1.5 -9,-0.1 -4,-0.5 4,-0.0 -0.523 87.5 -94.5 -66.2 134.6 24.5 20.2 16.2 34 34 A P > - 0 0 75 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.242 32.9-123.5 -52.2 139.2 25.8 17.4 18.5 35 35 A D T 3 S+ 0 0 136 1,-0.3 11,-0.3 -4,-0.1 12,-0.2 0.478 106.2 62.8 -72.4 -1.8 22.8 15.5 19.8 36 36 A D T 3 S+ 0 0 141 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.376 77.2 115.6 -99.5 1.4 23.8 16.1 23.5 37 37 A W < - 0 0 17 -3,-2.1 9,-0.8 -4,-0.0 2,-0.3 -0.390 50.4-159.0 -64.9 143.4 23.3 19.8 23.1 38 38 A V B -D 45 0C 72 7,-0.2 7,-0.2 8,-0.1 6,-0.1 -0.897 32.8 -79.6-125.6 158.3 20.5 21.4 25.2 39 39 A C > - 0 0 2 5,-3.0 4,-1.8 -2,-0.3 6,-0.0 -0.368 37.7-137.5 -56.4 125.2 18.5 24.6 25.0 40 40 A P T 4 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.743 98.1 40.7 -58.4 -24.2 20.7 27.4 26.4 41 41 A L T 4 S+ 0 0 126 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.923 131.5 14.0 -92.3 -51.9 17.7 28.8 28.3 42 42 A C T 4 S- 0 0 52 2,-0.1 -1,-0.0 -31,-0.0 -3,-0.0 0.537 91.5-125.4-109.6 -10.3 15.6 26.0 29.7 43 43 A G < + 0 0 43 -4,-1.8 2,-0.1 1,-0.2 0, 0.0 0.529 57.6 140.6 84.1 6.9 18.0 23.0 29.4 44 44 A V - 0 0 38 1,-0.1 -5,-3.0 -6,-0.1 -1,-0.2 -0.409 52.1-100.0 -81.2 162.7 15.8 20.6 27.4 45 45 A G B > -D 38 0C 26 -7,-0.2 3,-1.9 -2,-0.1 -7,-0.2 -0.194 32.9 -97.3 -80.3 170.1 17.2 18.4 24.6 46 46 A K G > S+ 0 0 26 -9,-0.8 3,-2.0 -11,-0.3 -1,-0.1 0.726 113.5 75.8 -55.1 -27.0 17.0 18.9 20.8 47 47 A D G 3 S+ 0 0 128 1,-0.3 -1,-0.3 -12,-0.2 -12,-0.0 0.639 88.6 58.6 -67.1 -11.8 14.0 16.6 20.6 48 48 A Q G < S+ 0 0 77 -3,-1.9 -41,-2.7 2,-0.0 -1,-0.3 0.239 90.7 94.6 -96.5 11.5 11.8 19.4 22.0 49 49 A F E < -B 6 0A 15 -3,-2.0 2,-0.3 -43,-0.2 -43,-0.2 -0.698 53.1-169.7-100.5 155.9 12.8 21.7 19.0 50 50 A E E -B 5 0A 133 -45,-1.9 -45,-2.7 -2,-0.3 -2,-0.0 -0.994 30.3 -96.1-142.6 146.5 10.8 22.2 15.8 51 51 A E E -B 4 0A 83 -2,-0.3 2,-0.6 -47,-0.2 -47,-0.3 -0.351 31.0-130.5 -54.4 134.9 11.6 23.9 12.5 52 52 A V 0 0 61 -49,-2.7 -49,-0.3 -2,-0.0 -1,-0.1 -0.845 360.0 360.0 -81.9 119.0 10.2 27.4 12.1 53 53 A E 0 0 180 -2,-0.6 -49,-0.0 -51,-0.1 0, 0.0 -0.592 360.0 360.0-115.2 360.0 8.4 27.3 8.8