==== 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 1IU6 . 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) . 3280.0 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 . 5 9.8 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 51 0, 0.0 13,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.1 21.4 -2.1 2.1 2 2 A K E -A 13 0A 105 49,-0.6 49,-3.0 11,-0.2 2,-0.4 -0.948 360.0-167.1-126.7 142.3 20.2 1.5 2.4 3 3 A Y E -AB 12 50A 26 9,-2.2 9,-3.2 -2,-0.4 2,-0.4 -0.983 11.2-143.6-129.4 141.5 17.2 3.2 0.8 4 4 A V E -AB 11 49A 28 45,-2.7 45,-2.0 -2,-0.4 2,-0.7 -0.834 16.1-126.7-109.9 140.9 16.4 6.9 0.5 5 5 A C E > - B 0 48A 1 5,-2.6 4,-2.2 -2,-0.4 43,-0.2 -0.813 18.5-150.9 -81.6 118.0 13.0 8.4 0.8 6 6 A K T 4 S+ 0 0 121 41,-3.0 -1,-0.1 -2,-0.7 42,-0.1 0.686 89.7 54.1 -65.5 -19.1 12.8 10.5 -2.4 7 7 A I T 4 S+ 0 0 105 40,-0.4 -1,-0.2 3,-0.1 41,-0.1 0.943 127.1 6.6 -82.5 -48.9 10.5 13.0 -0.6 8 8 A C T 4 S- 0 0 55 2,-0.1 -2,-0.2 35,-0.0 -1,-0.1 0.607 92.8-111.6-116.6 -12.3 12.4 14.1 2.5 9 9 A G < + 0 0 46 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.481 59.4 151.7 96.3 -0.4 15.9 12.5 2.3 10 10 A Y - 0 0 49 -5,-0.2 -5,-2.6 -6,-0.1 2,-0.6 -0.433 37.4-140.3 -63.7 139.7 15.5 10.1 5.2 11 11 A I E -A 4 0A 74 -7,-0.2 2,-0.7 -2,-0.1 -7,-0.2 -0.921 4.7-152.3-109.4 116.2 17.8 7.0 4.8 12 12 A Y E -A 3 0A 0 -9,-3.2 -9,-2.2 -2,-0.6 2,-0.6 -0.793 14.5-166.0 -85.2 117.1 16.4 3.6 5.8 13 13 A D E >> -A 2 0A 38 -2,-0.7 4,-2.5 4,-0.4 3,-1.3 -0.934 16.5-150.1-107.0 119.6 19.3 1.5 6.8 14 14 A E T 34 S+ 0 0 13 -13,-2.4 12,-3.0 -2,-0.6 13,-0.2 0.811 98.6 57.6 -57.4 -29.7 18.6 -2.3 7.1 15 15 A D T 34 S+ 0 0 127 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.732 114.7 36.5 -73.5 -22.4 21.2 -2.6 9.8 16 16 A A T <4 S- 0 0 52 -3,-1.3 -2,-0.2 9,-0.1 -1,-0.2 0.737 88.5-173.8 -99.6 -29.9 19.5 0.0 11.9 17 17 A G < - 0 0 8 -4,-2.5 -4,-0.4 1,-0.2 7,-0.2 -0.261 41.0 -85.1 65.7-158.3 15.9 -0.8 11.2 18 18 A D B > > +C 23 0B 12 5,-2.0 5,-1.9 -4,-0.1 3,-1.8 -0.531 50.2 172.1-147.1 67.5 13.1 1.5 12.7 19 19 A P G > 5S+ 0 0 81 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.810 73.6 63.0 -50.3 -40.4 12.5 0.1 16.2 20 20 A D G 3 5S+ 0 0 150 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.766 110.8 41.0 -61.3 -21.6 10.2 3.0 17.3 21 21 A N G < 5S- 0 0 103 -3,-1.8 -1,-0.3 2,-0.2 3,-0.1 0.016 129.1 -88.4-116.8 26.9 7.8 1.8 14.6 22 22 A G T < 5S+ 0 0 74 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.627 88.7 121.2 83.0 16.7 8.1 -2.0 15.0 23 23 A V B < -C 18 0B 5 -5,-1.9 -5,-2.0 -7,-0.1 -2,-0.2 -0.934 48.8-151.9-116.9 110.0 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 -0.317 34.8 -81.4 -78.0 156.9 14.0 -4.4 14.4 25 25 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -9,-0.1 -0.363 115.4 34.1 -58.9 136.0 17.6 -4.0 13.2 26 26 A G T 3 S+ 0 0 50 -12,-3.0 2,-0.4 1,-0.3 -11,-0.2 0.228 78.8 140.8 102.5 -10.1 18.4 -6.3 10.3 27 27 A T < - 0 0 31 -3,-1.6 -1,-0.3 -13,-0.2 -10,-0.2 -0.510 50.2-130.2 -72.0 120.8 15.0 -6.2 8.7 28 28 A K >> - 0 0 115 -2,-0.4 3,-1.2 1,-0.1 4,-0.7 -0.377 18.6-116.5 -69.0 147.8 15.3 -6.1 4.9 29 29 A F G >4 S+ 0 0 20 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.867 114.9 56.2 -53.4 -40.0 13.2 -3.4 3.1 30 30 A E G 34 S+ 0 0 104 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.783 105.4 52.5 -64.4 -28.6 11.2 -6.0 1.3 31 31 A E G <4 S+ 0 0 143 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.559 81.8 108.0 -86.1 -10.4 10.1 -7.6 4.6 32 32 A I S << S- 0 0 3 -3,-1.0 -9,-0.1 -4,-0.7 13,-0.0 -0.455 87.6 -92.7 -66.6 137.8 8.9 -4.4 6.2 33 33 A P > - 0 0 70 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.207 29.7-120.4 -53.5 145.2 5.1 -4.4 6.4 34 34 A D T 3 S+ 0 0 151 1,-0.3 11,-0.4 -3,-0.1 -2,-0.1 0.729 111.9 57.4 -59.8 -23.0 3.3 -2.8 3.4 35 35 A D T 3 S+ 0 0 135 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.440 79.6 111.3 -88.5 -4.3 1.7 -0.3 5.7 36 36 A W < - 0 0 15 -3,-2.0 9,-0.6 1,-0.0 2,-0.3 -0.509 49.4-170.2 -70.6 142.3 5.0 1.1 7.1 37 37 A V B -D 44 0C 64 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.820 37.0 -70.4-130.8 165.8 5.7 4.6 6.0 38 38 A C > - 0 0 2 5,-2.6 4,-1.7 -2,-0.3 -1,-0.0 -0.367 41.7-140.5 -54.6 126.8 8.7 7.0 6.2 39 39 A P T 4 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.698 96.9 43.7 -67.8 -16.0 9.0 8.0 9.8 40 40 A I T 4 S+ 0 0 119 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.919 132.1 9.8 -92.3 -53.9 9.8 11.6 8.9 41 41 A C T 4 S- 0 0 56 2,-0.1 -3,-0.0 -31,-0.0 -1,-0.0 0.530 91.0-117.3-110.0 -7.6 7.3 12.5 6.1 42 42 A G < + 0 0 42 -4,-1.7 0, 0.0 1,-0.2 0, 0.0 0.556 55.4 157.7 84.9 5.9 4.8 9.7 5.9 43 43 A A - 0 0 10 -6,-0.1 -5,-2.6 1,-0.1 -1,-0.2 -0.367 42.6-115.0 -65.7 140.0 5.7 8.7 2.4 44 44 A P B > -D 37 0C 69 0, 0.0 3,-2.1 0, 0.0 -7,-0.2 -0.275 32.7 -96.8 -71.6 166.9 4.7 5.1 1.4 45 45 A K G > S+ 0 0 31 -9,-0.6 3,-1.6 -11,-0.4 -8,-0.1 0.750 117.7 73.3 -55.0 -27.3 7.3 2.5 0.6 46 46 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.689 88.8 62.2 -60.7 -20.6 6.9 3.2 -3.2 47 47 A E G < S+ 0 0 65 -3,-2.1 -41,-3.0 2,-0.0 -40,-0.4 0.152 85.2 94.5 -94.7 15.6 8.7 6.5 -2.7 48 48 A F E < -B 5 0A 18 -3,-1.6 2,-0.4 -43,-0.2 -43,-0.2 -0.796 55.9-160.3-106.0 153.1 12.0 4.9 -1.6 49 49 A E E -B 4 0A 105 -45,-2.0 -45,-2.7 -2,-0.3 2,-0.3 -0.996 22.9-115.2-135.5 133.8 14.9 4.1 -3.9 50 50 A K E B 3 0A 134 -2,-0.4 -47,-0.3 -47,-0.2 -2,-0.0 -0.534 360.0 360.0 -72.3 133.8 17.8 1.7 -3.2 51 51 A L 0 0 122 -49,-3.0 -49,-0.6 -2,-0.3 -1,-0.1 -0.824 360.0 360.0 -93.6 360.0 21.2 3.3 -2.9