==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 27-FEB-02 1IU5 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR T.CHATAKE,K.KURIHARA,I.TANAKA,I.TSYBA,R.BAU,F.E.JENNEY,M.W.W . 51 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 62.7 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 . 12 23.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.9 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 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.0 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 0 2 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 A 0 0 54 0, 0.0 13,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 162.3 21.5 -2.0 2.1 2 2 A K E -A 13 0A 107 49,-0.4 49,-2.9 11,-0.2 2,-0.4 -0.909 360.0-163.2-120.8 145.5 20.3 1.6 2.5 3 3 A Y E -AB 12 50A 23 9,-2.6 9,-3.5 -2,-0.3 2,-0.4 -0.995 10.1-142.7-128.7 139.4 17.2 3.2 0.9 4 4 A V E -AB 11 49A 29 45,-2.8 45,-2.2 -2,-0.4 2,-0.7 -0.825 14.8-129.8-106.8 134.7 16.4 6.9 0.5 5 5 A C E > - B 0 48A 1 5,-2.8 4,-2.2 -2,-0.4 43,-0.2 -0.750 18.6-151.4 -76.2 119.0 13.0 8.4 0.9 6 6 A K T 4 S+ 0 0 116 41,-3.0 -1,-0.2 -2,-0.7 42,-0.1 0.687 89.1 55.2 -68.1 -17.5 12.8 10.5 -2.3 7 7 A I T 4 S+ 0 0 106 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.943 127.4 5.6 -80.2 -50.8 10.5 13.0 -0.6 8 8 A C T 4 S- 0 0 53 2,-0.1 -2,-0.2 35,-0.0 -1,-0.1 0.548 92.2-111.9-115.4 -12.9 12.4 14.0 2.5 9 9 A G < + 0 0 44 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.468 59.2 151.4 94.8 -0.3 15.9 12.5 2.4 10 10 A Y - 0 0 48 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.6 -0.441 37.5-141.3 -63.6 139.1 15.5 10.1 5.3 11 11 A I E -A 4 0A 73 -7,-0.2 2,-0.6 -2,-0.1 -7,-0.2 -0.925 5.0-152.4-109.2 117.5 17.7 7.0 4.9 12 12 A Y E -A 3 0A 0 -9,-3.5 -9,-2.6 -2,-0.6 2,-0.5 -0.833 14.3-166.4 -86.0 122.8 16.4 3.6 5.9 13 13 A D E >> -A 2 0A 40 -2,-0.6 4,-2.3 4,-0.4 3,-1.0 -0.965 17.5-148.4-111.8 122.0 19.4 1.5 6.8 14 14 A E T 34 S+ 0 0 20 -13,-2.3 12,-3.0 -2,-0.5 13,-0.4 0.819 99.1 58.3 -59.2 -28.8 18.6 -2.2 7.1 15 15 A D T 34 S+ 0 0 123 -14,-0.2 -1,-0.3 10,-0.2 -13,-0.1 0.795 114.3 36.7 -71.6 -27.1 21.3 -2.5 9.8 16 16 A A T <4 S- 0 0 52 -3,-1.0 -2,-0.2 9,-0.2 -1,-0.2 0.734 87.9-173.6 -94.8 -29.5 19.5 0.1 12.0 17 17 A G < - 0 0 6 -4,-2.3 -4,-0.4 1,-0.2 7,-0.2 -0.282 41.6 -86.9 64.9-154.6 15.9 -0.8 11.2 18 18 A D B > > +C 23 0B 16 5,-2.2 5,-2.0 -6,-0.1 3,-1.7 -0.543 49.1 174.8-151.4 70.1 13.2 1.5 12.7 19 19 A P G > 5S+ 0 0 80 0, 0.0 3,-1.6 0, 0.0 5,-0.1 0.795 73.9 63.0 -52.6 -35.1 12.6 0.2 16.2 20 20 A D G 3 5S+ 0 0 150 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.716 109.5 42.4 -66.4 -18.5 10.2 3.0 17.3 21 21 A N G < 5S- 0 0 93 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.027 129.0 -89.9-117.0 25.9 7.9 1.8 14.5 22 22 A G T < 5S+ 0 0 73 -3,-1.6 2,-0.6 1,-0.2 -2,-0.1 0.638 87.4 122.6 80.4 20.7 8.1 -1.9 15.0 23 23 A V B < -C 18 0B 5 -5,-2.0 -5,-2.2 -7,-0.1 -2,-0.2 -0.926 50.2-146.7-118.4 108.9 11.0 -2.7 12.7 24 24 A S > - 0 0 75 -2,-0.6 3,-1.6 -7,-0.2 -7,-0.1 -0.312 33.4 -86.8 -73.6 152.9 14.0 -4.5 14.4 25 25 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.344 115.9 36.9 -57.1 138.4 17.6 -3.9 13.2 26 26 A G T 3 S+ 0 0 52 -12,-3.0 2,-0.6 1,-0.3 -11,-0.2 0.393 79.1 139.7 99.5 -4.7 18.4 -6.3 10.4 27 27 A T < - 0 0 28 -3,-1.6 -1,-0.3 -13,-0.4 -10,-0.2 -0.659 50.9-130.6 -78.4 119.9 15.0 -6.2 8.7 28 28 A K >> - 0 0 115 -2,-0.6 3,-1.3 1,-0.1 4,-0.5 -0.352 20.0-115.7 -66.6 147.3 15.3 -6.1 4.9 29 29 A F G >4 S+ 0 0 18 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.873 115.9 54.6 -51.5 -41.6 13.3 -3.4 3.2 30 30 A E G 34 S+ 0 0 102 1,-0.3 -1,-0.3 4,-0.0 4,-0.0 0.758 104.7 56.0 -65.6 -25.3 11.2 -6.0 1.4 31 31 A E G <4 S+ 0 0 130 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.501 81.4 106.9 -84.1 -11.0 10.3 -7.6 4.7 32 32 A I S << S- 0 0 3 -3,-1.3 -9,-0.1 -4,-0.5 4,-0.0 -0.542 87.2 -94.4 -70.4 135.1 8.9 -4.3 6.2 33 33 A P > - 0 0 71 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.152 29.7-119.4 -50.5 144.5 5.1 -4.4 6.4 34 34 A D T 3 S+ 0 0 154 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.660 111.8 56.6 -60.6 -20.0 3.3 -2.9 3.5 35 35 A D T 3 S+ 0 0 136 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.327 79.1 110.2 -94.9 1.3 1.7 -0.3 5.7 36 36 A W < - 0 0 17 -3,-1.9 9,-0.6 -4,-0.0 2,-0.3 -0.585 50.2-168.8 -75.7 144.7 4.9 1.1 7.2 37 37 A V B -D 44 0C 65 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.882 37.8 -69.5-131.0 163.7 5.7 4.7 6.0 38 38 A C > - 0 0 2 5,-2.8 4,-1.9 -2,-0.3 5,-0.0 -0.312 43.4-139.9 -52.0 125.7 8.7 7.0 6.1 39 39 A P T 4 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.704 97.1 43.1 -64.9 -17.9 8.9 8.0 9.8 40 40 A I T 4 S+ 0 0 119 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.912 132.1 10.7 -92.6 -54.2 9.7 11.6 8.9 41 41 A C T 4 S- 0 0 55 2,-0.1 -3,-0.1 -31,-0.0 -1,-0.0 0.547 91.6-118.8-107.5 -8.2 7.3 12.5 6.0 42 42 A G < + 0 0 41 -4,-1.9 0, 0.0 1,-0.2 0, 0.0 0.543 54.7 157.9 82.6 9.9 4.8 9.7 5.9 43 43 A A - 0 0 9 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.381 42.8-112.8 -68.4 141.2 5.6 8.6 2.3 44 44 A P B > -D 37 0C 72 0, 0.0 3,-2.2 0, 0.0 -7,-0.2 -0.199 32.9 -98.5 -68.9 166.9 4.7 5.1 1.4 45 45 A K G > S+ 0 0 34 -9,-0.6 3,-1.9 -11,-0.3 -8,-0.1 0.780 117.8 74.9 -55.1 -28.4 7.4 2.5 0.6 46 46 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.731 88.4 60.7 -58.2 -23.2 6.8 3.2 -3.1 47 47 A E G < S+ 0 0 60 -3,-2.2 -41,-3.0 2,-0.0 2,-0.3 0.237 84.9 97.3 -92.5 13.2 8.7 6.5 -2.7 48 48 A F E < -B 5 0A 19 -3,-1.9 2,-0.4 -43,-0.2 -43,-0.2 -0.780 54.8-160.0-102.9 148.5 12.0 4.9 -1.6 49 49 A E E -B 4 0A 114 -45,-2.2 -45,-2.8 -2,-0.3 2,-0.2 -0.988 22.0-118.3-129.7 134.3 15.0 4.2 -3.8 50 50 A K E B 3 0A 131 -2,-0.4 -47,-0.2 -47,-0.2 0, 0.0 -0.508 360.0 360.0 -72.1 136.3 17.8 1.7 -3.1 51 51 A L 0 0 121 -49,-2.9 -49,-0.4 -2,-0.2 -1,-0.1 -0.745 360.0 360.0 -92.5 360.0 21.2 3.3 -2.9