==== 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 1SMW . 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) . 3487.0 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 0 132 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 154.6 -12.4 27.8 11.3 2 2 A K - 0 0 83 13,-0.1 28,-0.4 12,-0.1 2,-0.1 -0.658 360.0-118.0 -99.7 157.2 -15.5 27.6 9.2 3 3 A K - 0 0 82 49,-0.4 49,-3.0 -2,-0.3 2,-0.4 -0.499 27.2-153.3 -81.9 157.8 -16.1 26.4 5.7 4 4 A Y E -AB 13 51A 36 9,-1.9 9,-3.5 47,-0.2 2,-0.4 -0.975 4.7-148.2-131.4 144.6 -17.3 28.9 3.0 5 5 A T E -AB 12 50A 23 45,-2.8 45,-2.0 -2,-0.4 2,-0.6 -0.919 19.0-119.8-121.2 148.0 -19.3 28.1 -0.0 6 6 A C E > - B 0 49A 1 5,-3.1 4,-2.1 -2,-0.4 43,-0.2 -0.679 22.2-155.8 -77.6 117.3 -19.4 29.8 -3.5 7 7 A T T 4 S+ 0 0 73 41,-2.6 -1,-0.2 -2,-0.6 42,-0.1 0.520 88.4 55.4 -77.4 0.1 -23.1 30.8 -3.8 8 8 A V T 4 S+ 0 0 87 40,-0.1 -1,-0.2 3,-0.1 41,-0.1 0.874 128.7 6.6 -96.0 -48.1 -22.8 30.8 -7.6 9 9 A C T 4 S- 0 0 64 2,-0.1 -2,-0.2 35,-0.0 -4,-0.0 0.640 94.5-113.9-111.3 -13.3 -21.6 27.1 -8.2 10 10 A G < + 0 0 43 -4,-2.1 -3,-0.1 1,-0.3 0, 0.0 0.324 57.4 153.9 99.2 -8.5 -21.6 25.4 -4.8 11 11 A Y - 0 0 62 -6,-0.1 -5,-3.1 1,-0.1 2,-0.5 -0.238 35.6-140.2 -55.6 145.8 -17.8 24.8 -4.4 12 12 A I E -A 5 0A 75 -7,-0.2 2,-0.7 37,-0.1 -7,-0.2 -0.939 4.7-149.3-114.0 124.9 -16.8 24.6 -0.8 13 13 A Y E -A 4 0A 0 -9,-3.5 -9,-1.9 -2,-0.5 17,-0.1 -0.812 15.0-166.2 -91.8 121.9 -13.7 26.2 0.6 14 14 A N >> - 0 0 31 -2,-0.7 4,-2.1 4,-0.4 3,-1.4 -0.949 13.4-150.4-111.3 114.6 -12.4 24.1 3.5 15 15 A P T 34 S+ 0 0 4 0, 0.0 12,-3.5 0, 0.0 13,-0.5 0.743 94.1 62.4 -58.2 -25.5 -9.8 25.9 5.6 16 16 A E T 34 S+ 0 0 139 10,-0.2 13,-0.0 1,-0.2 -13,-0.0 0.815 115.5 32.2 -72.0 -25.3 -8.1 22.6 6.6 17 17 A D T <4 S- 0 0 85 -3,-1.4 -1,-0.2 9,-0.2 7,-0.1 0.705 90.5-171.7 -99.7 -25.4 -7.3 21.9 2.9 18 18 A G < - 0 0 6 -4,-2.1 -4,-0.4 1,-0.2 7,-0.2 -0.284 43.0 -86.7 65.3-152.2 -6.8 25.6 1.6 19 19 A D B > > +C 24 0B 16 5,-2.6 5,-1.9 -4,-0.1 3,-1.8 -0.534 54.1 173.8-151.6 65.0 -6.5 26.0 -2.2 20 20 A P G > 5S+ 0 0 72 0, 0.0 3,-1.8 0, 0.0 5,-0.1 0.783 70.4 63.5 -53.4 -35.3 -2.7 25.5 -2.5 21 21 A D G 3 5S+ 0 0 153 1,-0.3 4,-0.1 2,-0.1 0, 0.0 0.732 110.3 42.4 -64.3 -20.0 -2.6 25.4 -6.3 22 22 A N G < 5S- 0 0 98 -3,-1.8 -1,-0.3 2,-0.2 3,-0.1 0.080 129.5 -93.9-112.7 22.7 -3.8 29.1 -6.1 23 23 A G T < 5S+ 0 0 56 -3,-1.8 2,-0.7 1,-0.2 -2,-0.1 0.650 86.8 123.4 79.3 16.8 -1.5 30.1 -3.2 24 24 A V B < -C 19 0B 2 -5,-1.9 -5,-2.6 9,-0.1 -1,-0.2 -0.920 51.6-148.1-111.9 107.2 -3.9 29.5 -0.3 25 25 A N > - 0 0 102 -2,-0.7 3,-1.5 -7,-0.2 -7,-0.2 -0.392 28.0 -88.8 -75.1 153.7 -2.2 27.1 2.1 26 26 A P T 3 S+ 0 0 79 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.261 116.2 38.6 -56.8 144.7 -4.1 24.7 4.2 27 27 A G T 3 S+ 0 0 44 -12,-3.5 2,-0.5 1,-0.3 -11,-0.2 0.470 81.5 135.7 91.1 3.4 -5.0 26.3 7.5 28 28 A T < - 0 0 32 -3,-1.5 -1,-0.3 -13,-0.5 -10,-0.1 -0.742 53.7-132.2 -88.5 125.9 -5.9 29.7 6.0 29 29 A D >> - 0 0 43 -2,-0.5 3,-1.6 1,-0.1 4,-0.5 -0.467 24.3-117.4 -69.8 142.7 -9.2 31.3 7.3 30 30 A F G >4 S+ 0 0 13 -28,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.876 113.1 60.5 -50.0 -42.0 -11.3 32.5 4.3 31 31 A K G 34 S+ 0 0 136 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.804 103.9 51.2 -57.6 -31.4 -11.1 36.1 5.5 32 32 A D G <4 S+ 0 0 97 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.470 80.4 111.1 -88.0 -2.8 -7.2 36.0 5.2 33 33 A I S << S- 0 0 1 -3,-1.5 -9,-0.1 -4,-0.5 4,-0.1 -0.558 89.3 -94.2 -70.0 134.1 -7.2 34.7 1.7 34 34 A P > - 0 0 78 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.177 35.1-123.8 -51.4 132.7 -6.0 37.5 -0.6 35 35 A D T 3 S+ 0 0 136 1,-0.3 11,-0.3 -4,-0.1 12,-0.2 0.466 105.9 63.7 -62.1 -2.1 -9.0 39.4 -2.0 36 36 A D T 3 S+ 0 0 139 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.402 77.6 111.9-101.8 1.3 -8.1 38.9 -5.6 37 37 A W < - 0 0 17 -3,-2.3 9,-0.8 -4,-0.1 2,-0.3 -0.398 53.1-158.8 -69.8 148.7 -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 -0.871 33.5 -74.3-128.1 162.1 -11.5 33.6 -7.2 39 39 A C > - 0 0 2 5,-2.6 4,-1.9 -2,-0.3 7,-0.0 -0.351 38.0-142.8 -56.7 127.6 -13.5 30.4 -6.9 40 40 A P T 4 S+ 0 0 56 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.710 97.4 46.0 -67.2 -20.4 -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 0.873 133.5 6.9 -92.8 -40.4 -14.4 25.9 -9.8 42 42 A C T 4 S- 0 0 53 2,-0.1 -3,-0.0 -31,-0.0 -1,-0.0 0.576 89.2-123.5-120.0 -7.9 -16.3 28.8 -11.5 43 43 A G < + 0 0 40 -4,-1.9 2,-0.0 1,-0.2 0, 0.0 0.486 58.3 140.4 83.1 2.3 -14.0 31.9 -11.3 44 44 A V - 0 0 40 1,-0.1 -5,-2.6 -6,-0.1 -1,-0.2 -0.327 56.4 -91.1 -76.5 166.1 -16.4 34.3 -9.4 45 45 A G B > -D 38 0C 28 -7,-0.2 3,-2.3 1,-0.1 -7,-0.2 -0.199 31.7-104.6 -73.0 164.3 -15.0 36.6 -6.7 46 46 A K G > S+ 0 0 24 -9,-0.8 3,-2.0 -11,-0.3 -1,-0.1 0.767 114.1 75.7 -58.3 -26.0 -14.8 36.0 -3.0 47 47 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -12,-0.2 -2,-0.0 0.601 87.3 59.9 -67.3 -6.1 -17.7 38.3 -2.6 48 48 A Q G < S+ 0 0 77 -3,-2.3 -41,-2.6 2,-0.0 -1,-0.3 0.413 90.3 93.7 -98.2 2.1 -20.0 35.6 -3.9 49 49 A F E < -B 6 0A 20 -3,-2.0 2,-0.3 -43,-0.2 -43,-0.2 -0.578 55.7-165.8 -92.1 156.7 -19.0 33.3 -1.0 50 50 A E E -B 5 0A 114 -45,-2.0 -45,-2.8 -2,-0.2 2,-0.1 -0.994 29.3 -98.8-142.5 146.6 -20.9 32.9 2.3 51 51 A E E -B 4 0A 69 -2,-0.3 2,-0.8 -47,-0.2 -47,-0.2 -0.380 29.2-135.8 -63.5 136.7 -20.0 31.4 5.6 52 52 A V - 0 0 42 -49,-3.0 2,-0.5 -2,-0.1 -49,-0.4 -0.833 20.1-145.2 -94.2 112.3 -21.3 27.9 6.1 53 53 A E 0 0 138 -2,-0.8 -49,-0.0 -51,-0.1 -51,-0.0 -0.662 360.0 360.0 -82.7 127.1 -22.7 28.0 9.7 54 54 A E 0 0 171 -2,-0.5 -1,-0.1 -51,-0.0 -52,-0.0 0.162 360.0 360.0-103.3 360.0 -22.1 24.5 11.3