==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 09-MAR-04 1SMU . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR I.Y.PARK,B.YOUN,J.L.HARLEY,M.K.EIDSNESS,E.SMITH,T.ICHIYE, . 54 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) . 33 61.1 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 . 7 13.0 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 0 129 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 146.4 -12.4 28.0 11.2 2 2 A K - 0 0 67 13,-0.1 28,-0.4 1,-0.1 2,-0.1 -0.633 360.0-114.0 -98.8 158.3 -15.6 27.6 9.2 3 3 A K - 0 0 84 49,-0.4 49,-2.9 -2,-0.2 2,-0.4 -0.499 28.5-152.3 -82.1 159.8 -16.0 26.4 5.7 4 4 A Y E -AB 13 51A 37 9,-2.0 9,-3.5 47,-0.3 2,-0.4 -0.972 5.0-148.5-131.5 145.2 -17.3 28.9 3.0 5 5 A T E -AB 12 50A 38 45,-2.7 45,-2.1 -2,-0.4 2,-0.7 -0.927 19.6-120.0-122.2 146.9 -19.3 28.1 -0.1 6 6 A C E > - B 0 49A 1 5,-2.9 4,-2.2 -2,-0.4 43,-0.2 -0.670 22.6-155.8 -76.7 117.1 -19.4 29.8 -3.5 7 7 A T T 4 S+ 0 0 73 41,-2.5 -1,-0.2 -2,-0.7 42,-0.1 0.524 88.4 55.4 -77.4 0.2 -23.1 30.8 -3.8 8 8 A V T 4 S+ 0 0 86 40,-0.1 -1,-0.2 3,-0.1 41,-0.1 0.874 128.0 8.1 -96.2 -48.4 -22.8 30.8 -7.6 9 9 A C T 4 S- 0 0 62 2,-0.1 -2,-0.2 35,-0.0 -4,-0.0 0.642 94.7-114.8-109.5 -12.9 -21.5 27.2 -8.2 10 10 A G < + 0 0 44 -4,-2.2 -3,-0.1 1,-0.3 0, 0.0 0.320 58.1 152.7 98.2 -9.5 -21.7 25.4 -4.8 11 11 A Y - 0 0 60 -6,-0.1 -5,-2.9 1,-0.1 2,-0.5 -0.228 36.3-140.2 -55.3 146.1 -17.8 24.8 -4.4 12 12 A I E -A 5 0A 92 -7,-0.2 2,-0.7 37,-0.1 -7,-0.2 -0.937 4.6-148.5-114.9 125.4 -16.8 24.6 -0.8 13 13 A Y E -A 4 0A 0 -9,-3.5 -9,-2.0 -2,-0.5 17,-0.1 -0.803 15.2-166.4 -91.3 121.7 -13.7 26.2 0.6 14 14 A N >> - 0 0 28 -2,-0.7 4,-2.2 4,-0.4 3,-1.4 -0.952 14.3-150.4-110.9 116.1 -12.4 24.1 3.5 15 15 A P T 34 S+ 0 0 4 0, 0.0 12,-3.3 0, 0.0 13,-0.5 0.737 94.5 64.1 -58.9 -24.2 -9.8 25.9 5.6 16 16 A E T 34 S+ 0 0 143 10,-0.2 13,-0.0 1,-0.2 -13,-0.0 0.808 115.4 29.7 -69.8 -29.2 -8.1 22.6 6.5 17 17 A D T <4 S- 0 0 82 -3,-1.4 -1,-0.2 9,-0.1 7,-0.1 0.688 90.3-171.0-101.5 -23.7 -7.3 22.0 2.8 18 18 A G < - 0 0 6 -4,-2.2 -4,-0.4 7,-0.2 7,-0.2 -0.267 43.5 -85.9 63.5-151.2 -6.9 25.6 1.6 19 19 A D B > > +C 24 0B 17 5,-2.5 5,-1.9 -4,-0.1 3,-1.8 -0.544 54.6 173.9-151.2 65.2 -6.5 26.0 -2.2 20 20 A P G > 5S+ 0 0 71 0, 0.0 3,-1.9 0, 0.0 5,-0.1 0.795 70.4 63.0 -53.6 -36.5 -2.7 25.5 -2.5 21 21 A D G 3 5S+ 0 0 155 1,-0.3 4,-0.1 2,-0.1 0, 0.0 0.707 110.4 43.3 -64.4 -17.2 -2.5 25.4 -6.4 22 22 A N G < 5S- 0 0 97 -3,-1.8 -1,-0.3 2,-0.2 3,-0.1 0.079 129.4 -94.6-114.5 23.0 -3.8 29.1 -6.2 23 23 A G T < 5S+ 0 0 56 -3,-1.9 2,-0.7 1,-0.2 -2,-0.1 0.614 86.4 124.2 77.9 16.6 -1.5 30.1 -3.2 24 24 A V B < -C 19 0B 3 -5,-1.9 -5,-2.5 9,-0.1 -1,-0.2 -0.916 50.9-148.6-110.0 107.4 -3.9 29.5 -0.3 25 25 A N > - 0 0 100 -2,-0.7 3,-1.5 -7,-0.2 -7,-0.2 -0.404 27.7 -89.0 -76.3 152.8 -2.2 27.2 2.1 26 26 A P T 3 S+ 0 0 79 0, 0.0 -10,-0.2 0, 0.0 -9,-0.1 -0.230 115.8 38.9 -55.7 143.8 -4.0 24.7 4.2 27 27 A G T 3 S+ 0 0 46 -12,-3.3 2,-0.6 1,-0.3 -11,-0.2 0.514 81.3 136.0 91.8 5.2 -4.9 26.3 7.5 28 28 A T < - 0 0 33 -3,-1.5 -1,-0.3 -13,-0.5 -10,-0.1 -0.772 53.2-132.7 -91.3 123.6 -5.9 29.8 5.9 29 29 A D >> - 0 0 40 -2,-0.6 3,-1.5 1,-0.1 4,-0.5 -0.414 25.1-116.8 -66.6 142.9 -9.1 31.3 7.3 30 30 A F G >4 S+ 0 0 14 -28,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.880 113.1 58.5 -52.1 -41.6 -11.3 32.5 4.3 31 31 A K G 34 S+ 0 0 141 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.785 104.3 52.6 -62.3 -24.4 -11.1 36.2 5.4 32 32 A D G <4 S+ 0 0 97 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.483 80.7 109.6 -89.1 -3.2 -7.2 36.1 5.1 33 33 A I S << S- 0 0 1 -3,-1.5 -9,-0.1 -4,-0.5 4,-0.1 -0.558 90.6 -93.6 -69.7 135.1 -7.2 34.7 1.6 34 34 A P > - 0 0 79 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.209 34.5-123.3 -53.3 132.2 -6.0 37.5 -0.7 35 35 A D T 3 S+ 0 0 136 1,-0.3 11,-0.3 -4,-0.1 12,-0.2 0.463 106.4 63.1 -58.9 -4.4 -9.0 39.4 -2.0 36 36 A D T 3 S+ 0 0 138 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.399 77.6 112.6-101.1 1.7 -8.2 38.9 -5.7 37 37 A W < - 0 0 17 -3,-2.3 9,-0.7 -4,-0.1 2,-0.3 -0.407 52.8-158.9 -69.8 148.0 -8.5 35.0 -5.3 38 38 A V B -D 45 0C 72 7,-0.2 7,-0.2 8,-0.1 6,-0.1 -0.859 33.7 -75.2-126.0 161.5 -11.5 33.6 -7.2 39 39 A C > - 0 0 2 5,-2.5 4,-1.8 -2,-0.3 7,-0.0 -0.369 38.0-142.3 -58.2 128.6 -13.5 30.4 -6.9 40 40 A P T 4 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.719 97.2 45.8 -67.7 -20.8 -11.3 27.6 -8.3 41 41 A A T 4 S+ 0 0 71 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.878 133.3 7.5 -92.1 -41.4 -14.4 25.8 -9.9 42 42 A C T 4 S- 0 0 54 2,-0.1 -3,-0.0 -31,-0.0 -1,-0.0 0.562 89.5-123.7-119.3 -8.4 -16.3 28.8 -11.6 43 43 A G < + 0 0 41 -4,-1.8 2,-0.0 1,-0.2 0, 0.0 0.500 57.5 141.7 84.0 1.8 -14.0 31.9 -11.3 44 44 A V - 0 0 40 1,-0.1 -5,-2.5 -6,-0.1 -1,-0.2 -0.293 56.1 -92.4 -74.9 165.6 -16.4 34.3 -9.5 45 45 A G B > -D 38 0C 28 -7,-0.2 3,-2.0 1,-0.1 -7,-0.2 -0.202 32.7-104.1 -72.6 166.4 -15.0 36.7 -6.8 46 46 A K G > S+ 0 0 24 -9,-0.7 3,-2.0 -11,-0.3 -1,-0.1 0.769 114.2 76.0 -60.5 -25.6 -14.8 36.0 -3.1 47 47 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -12,-0.2 -2,-0.0 0.587 87.1 60.3 -67.0 -5.3 -17.7 38.4 -2.6 48 48 A Q G < S+ 0 0 75 -3,-2.0 -41,-2.5 2,-0.0 -1,-0.3 0.419 89.6 94.5 -99.1 2.4 -20.0 35.6 -3.9 49 49 A F E < -B 6 0A 17 -3,-2.0 2,-0.4 -43,-0.2 -43,-0.2 -0.580 55.9-163.8 -92.0 156.9 -19.0 33.3 -1.0 50 50 A E E -B 5 0A 126 -45,-2.1 -45,-2.7 -2,-0.2 2,-0.1 -0.993 28.2-101.9-139.6 145.7 -20.9 32.9 2.2 51 51 A E E -B 4 0A 86 -2,-0.4 2,-0.8 -47,-0.2 -47,-0.3 -0.383 30.9-132.5 -64.5 138.5 -19.9 31.4 5.6 52 52 A V - 0 0 48 -49,-2.9 2,-0.6 -2,-0.1 -49,-0.4 -0.841 21.2-142.4 -94.8 112.7 -21.3 27.9 6.1 53 53 A E 0 0 133 -2,-0.8 -49,-0.0 -51,-0.1 -51,-0.0 -0.637 360.0 360.0 -82.4 120.7 -22.8 28.0 9.6 54 54 A E 0 0 166 -2,-0.6 -1,-0.1 -51,-0.1 -2,-0.0 -0.548 360.0 360.0 -89.2 360.0 -22.2 24.7 11.5