==== 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 1R0F . 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) . 3526.0 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 . 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 0 134 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 148.2 19.3 27.2 6.3 2 2 A K - 0 0 105 13,-0.1 28,-0.4 12,-0.1 2,-0.2 -0.560 360.0-122.4 -91.8 148.2 16.2 27.2 8.5 3 3 A K - 0 0 100 49,-0.3 49,-2.9 -2,-0.2 2,-0.4 -0.557 24.5-153.3 -77.3 151.2 15.7 28.5 12.0 4 4 A Y E -AB 13 51A 39 9,-1.8 9,-3.2 47,-0.2 2,-0.4 -0.967 3.2-148.2-126.9 143.3 14.5 26.1 14.6 5 5 A T E -AB 12 50A 37 45,-2.7 45,-2.1 -2,-0.4 2,-0.7 -0.923 18.1-124.2-115.3 141.3 12.5 26.9 17.8 6 6 A C E > - B 0 49A 1 5,-2.9 4,-2.4 -2,-0.4 43,-0.2 -0.717 21.0-156.1 -74.1 115.5 12.5 25.3 21.2 7 7 A T T 4 S+ 0 0 74 41,-2.5 -1,-0.1 -2,-0.7 42,-0.1 0.560 87.4 56.2 -78.7 -5.4 8.8 24.4 21.6 8 8 A V T 4 S+ 0 0 85 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.870 128.4 6.4 -86.9 -43.5 9.2 24.4 25.4 9 9 A C T 4 S- 0 0 59 2,-0.1 -2,-0.2 -3,-0.1 -4,-0.0 0.593 94.4-113.7-120.4 -14.5 10.6 28.0 25.9 10 10 A G < + 0 0 43 -4,-2.4 -3,-0.1 1,-0.3 0, 0.0 0.330 57.3 153.3 96.6 -7.6 10.5 29.8 22.6 11 11 A Y - 0 0 42 -6,-0.1 -5,-2.9 -5,-0.1 2,-0.5 -0.266 35.4-141.2 -50.5 139.9 14.3 30.2 22.0 12 12 A I E -A 5 0A 75 -7,-0.2 2,-0.6 2,-0.0 -7,-0.2 -0.951 2.4-147.4-112.0 124.1 15.2 30.4 18.3 13 13 A Y E -A 4 0A 0 -9,-3.2 -9,-1.8 -2,-0.5 17,-0.1 -0.822 15.6-167.2 -84.0 120.0 18.2 28.7 16.9 14 14 A N >> - 0 0 32 -2,-0.6 4,-2.1 4,-0.4 3,-1.6 -0.954 14.3-152.4-111.1 113.6 19.5 30.9 14.1 15 15 A P T 34 S+ 0 0 3 0, 0.0 12,-3.3 0, 0.0 13,-0.6 0.787 94.0 63.3 -61.4 -26.8 22.1 29.1 12.0 16 16 A E T 34 S+ 0 0 151 10,-0.2 13,-0.0 1,-0.2 -3,-0.0 0.813 115.0 31.2 -60.7 -32.6 23.7 32.4 11.0 17 17 A D T <4 S- 0 0 101 -3,-1.6 -1,-0.2 1,-0.2 7,-0.1 0.707 90.9-170.4 -96.5 -27.9 24.6 33.1 14.7 18 18 A G < - 0 0 6 -4,-2.1 -4,-0.4 1,-0.2 7,-0.2 -0.264 41.9 -86.1 64.2-157.0 25.1 29.5 15.9 19 19 A D B > > +C 24 0B 16 5,-2.5 5,-2.0 -4,-0.1 3,-1.7 -0.547 54.6 171.7-140.9 68.7 25.5 29.0 19.7 20 20 A P G > 5 + 0 0 72 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.751 68.8 64.6 -61.0 -29.1 29.3 29.6 19.9 21 21 A D G 3 5S+ 0 0 151 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.751 109.5 41.9 -65.6 -23.9 29.5 29.6 23.8 22 22 A N G < 5S- 0 0 99 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.031 129.3 -95.1-110.0 22.9 28.4 25.9 23.7 23 23 A G T < 5S+ 0 0 58 -3,-1.7 2,-0.7 1,-0.2 -2,-0.1 0.612 84.6 127.9 82.3 12.8 30.6 25.1 20.7 24 24 A V B < -C 19 0B 5 -5,-2.0 -5,-2.5 9,-0.1 -1,-0.2 -0.900 49.1-149.1-103.1 108.7 28.1 25.5 17.9 25 25 A N > - 0 0 104 -2,-0.7 3,-1.3 -7,-0.2 -7,-0.2 -0.338 26.8 -85.6 -78.4 155.0 29.8 27.7 15.3 26 26 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.285 115.0 36.5 -50.8 141.7 28.0 30.2 13.0 27 27 A G T 3 S+ 0 0 47 -12,-3.3 2,-0.6 1,-0.3 -11,-0.2 0.493 80.7 139.4 88.2 7.3 26.8 28.5 9.9 28 28 A T < - 0 0 33 -3,-1.3 -1,-0.3 -13,-0.6 -10,-0.1 -0.766 50.0-134.0 -90.7 119.9 26.0 25.2 11.5 29 29 A D >> - 0 0 36 -2,-0.6 3,-1.4 1,-0.1 4,-0.5 -0.424 23.2-116.5 -62.2 141.6 22.7 23.6 10.2 30 30 A F G >4 S+ 0 0 14 -28,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.853 114.1 59.1 -49.5 -41.6 20.5 22.3 13.1 31 31 A K G 34 S+ 0 0 133 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.799 104.4 51.5 -60.5 -28.6 20.8 18.7 11.9 32 32 A D G <4 S+ 0 0 101 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.453 80.1 110.5 -92.1 -4.3 24.6 18.9 12.3 33 33 A I S << S- 0 0 2 -3,-1.3 -9,-0.1 -4,-0.5 13,-0.0 -0.543 88.9 -94.4 -64.5 133.4 24.5 20.2 15.9 34 34 A P > - 0 0 75 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.266 33.2-123.1 -52.0 139.7 25.8 17.4 18.1 35 35 A D T 3 S+ 0 0 139 1,-0.3 11,-0.3 -4,-0.1 12,-0.2 0.444 106.7 63.3 -76.0 1.4 22.8 15.5 19.4 36 36 A D T 3 S+ 0 0 141 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.409 77.9 113.7-100.8 1.8 23.7 16.1 23.1 37 37 A W < - 0 0 17 -3,-2.1 9,-0.7 1,-0.0 2,-0.3 -0.399 51.0-159.4 -67.7 144.8 23.3 19.8 22.8 38 38 A V B -D 45 0C 67 7,-0.2 7,-0.2 -2,-0.1 6,-0.1 -0.874 32.8 -77.5-126.3 160.5 20.4 21.4 24.7 39 39 A C > - 0 0 2 5,-2.9 4,-2.1 -2,-0.3 6,-0.0 -0.355 39.0-140.3 -54.6 122.9 18.4 24.6 24.5 40 40 A P T 4 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.685 97.2 41.1 -64.4 -18.3 20.7 27.3 26.0 41 41 A L T 4 S+ 0 0 130 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.837 132.0 15.0 -96.3 -39.0 17.7 29.0 27.8 42 42 A C T 4 S- 0 0 51 2,-0.1 -3,-0.0 -31,-0.0 -1,-0.0 0.514 90.7-125.2-120.5 -9.0 15.7 26.1 29.2 43 43 A G < + 0 0 45 -4,-2.1 2,-0.1 1,-0.2 0, 0.0 0.471 58.1 137.6 84.5 3.5 17.9 23.0 29.0 44 44 A V - 0 0 39 1,-0.1 -5,-2.9 -6,-0.1 -1,-0.2 -0.439 53.2-100.5 -82.2 159.4 15.7 20.6 27.0 45 45 A G B > -D 38 0C 27 -7,-0.2 3,-1.8 -2,-0.1 -7,-0.2 -0.115 32.8 -96.9 -73.5 171.9 17.1 18.4 24.1 46 46 A K G > S+ 0 0 27 -9,-0.7 3,-2.0 -11,-0.3 -1,-0.1 0.757 113.5 75.1 -57.3 -28.7 17.0 18.8 20.4 47 47 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -12,-0.2 -2,-0.0 0.574 89.9 57.8 -67.5 -8.0 13.9 16.5 20.1 48 48 A Q G < S+ 0 0 80 -3,-1.8 -41,-2.5 2,-0.0 2,-0.3 0.293 90.2 94.9-100.4 7.9 11.7 19.4 21.5 49 49 A F E < -B 6 0A 13 -3,-2.0 2,-0.3 -43,-0.2 -43,-0.2 -0.690 55.5-165.6 -95.1 150.2 12.7 21.7 18.7 50 50 A E E -B 5 0A 139 -45,-2.1 -45,-2.7 -2,-0.3 -2,-0.0 -0.990 28.5 -98.8-134.0 145.1 10.7 22.2 15.5 51 51 A E E -B 4 0A 83 -2,-0.3 2,-0.7 -47,-0.2 -47,-0.2 -0.329 32.1-129.1 -52.8 136.0 11.6 23.8 12.1 52 52 A V 0 0 58 -49,-2.9 -49,-0.3 -2,-0.0 -1,-0.1 -0.868 360.0 360.0 -88.7 115.6 10.4 27.3 11.6 53 53 A E 0 0 177 -2,-0.7 -49,-0.0 -51,-0.1 0, 0.0 -0.655 360.0 360.0-110.2 360.0 8.5 27.4 8.3