==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-MAY-11 3RZ6 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR P.MUNSHI,C-L.CHUNG,K.L.WEISS,M.P.BLAKELEY,D.A.A.MYLES,F.MEIL . 51 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 64.7 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 44 0, 0.0 13,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.2 21.2 -2.0 2.5 2 2 A K E -A 13 0A 74 49,-0.3 49,-2.9 11,-0.2 2,-0.4 -0.976 360.0-165.8-122.7 139.9 20.1 1.6 2.7 3 3 A W E -AB 12 50A 29 9,-3.0 9,-3.9 -2,-0.4 2,-0.4 -0.986 11.2-141.8-127.4 133.8 17.1 3.0 1.1 4 4 A V E -AB 11 49A 37 45,-3.1 45,-2.4 -2,-0.4 2,-0.8 -0.772 13.7-129.0-100.2 138.8 16.3 6.7 0.6 5 5 A C E > - B 0 48A 1 5,-3.4 4,-2.6 -2,-0.4 43,-0.2 -0.769 17.7-154.1 -78.9 111.3 13.0 8.3 0.9 6 6 A K T 4 S+ 0 0 96 41,-2.7 -1,-0.2 -2,-0.8 42,-0.1 0.655 89.1 53.4 -67.4 -15.0 12.8 10.2 -2.3 7 7 A I T 4 S+ 0 0 133 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.947 127.8 7.0 -82.2 -53.2 10.4 12.7 -0.7 8 8 A C T 4 S- 0 0 46 2,-0.1 -2,-0.2 35,-0.0 3,-0.1 0.522 93.6-111.5-116.2 -9.4 12.3 13.8 2.5 9 9 A G < + 0 0 38 -4,-2.6 -3,-0.1 1,-0.3 0, 0.0 0.392 60.7 152.4 92.7 -3.2 15.8 12.3 2.3 10 10 A Y - 0 0 43 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.6 -0.315 37.2-141.2 -54.6 139.7 15.3 9.9 5.2 11 11 A I E -A 4 0A 92 -7,-0.2 2,-0.7 -3,-0.1 -7,-0.2 -0.942 3.0-150.4-109.6 118.7 17.5 6.9 4.9 12 12 A Y E -A 3 0A 0 -9,-3.9 -9,-3.0 -2,-0.6 2,-0.6 -0.801 16.2-165.4 -83.4 119.6 16.1 3.6 5.9 13 13 A D E >> -A 2 0A 43 -2,-0.7 4,-2.3 4,-0.5 3,-1.4 -0.952 14.4-153.5-111.5 117.0 19.0 1.6 7.1 14 14 A E T 34 S+ 0 0 18 -13,-2.7 12,-3.2 -2,-0.6 13,-0.6 0.796 96.0 58.9 -62.7 -26.7 18.3 -2.1 7.3 15 15 A D T 34 S+ 0 0 107 -14,-0.4 -1,-0.3 10,-0.2 -13,-0.1 0.788 114.3 36.4 -70.2 -27.8 21.0 -2.4 10.0 16 16 A A T <4 S- 0 0 50 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.720 90.1-171.0 -93.5 -29.6 19.2 0.1 12.2 17 17 A G < - 0 0 4 -4,-2.3 -4,-0.5 10,-0.2 -1,-0.2 -0.393 40.7 -86.6 65.6-146.8 15.6 -0.9 11.3 18 18 A D B > > +C 23 0B 12 5,-2.3 5,-1.8 -4,-0.1 3,-1.5 -0.489 53.2 169.9-157.4 68.3 13.0 1.5 12.7 19 19 A P G > 5S+ 0 0 79 0, 0.0 3,-2.0 0, 0.0 5,-0.1 0.804 71.7 64.2 -65.0 -32.2 12.3 0.2 16.2 20 20 A D G 3 5S+ 0 0 156 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.761 110.4 42.9 -62.4 -21.5 10.2 3.1 17.3 21 21 A N G < 5S- 0 0 98 -3,-1.5 -1,-0.3 2,-0.2 3,-0.1 -0.038 131.5 -88.6-116.5 29.7 7.8 1.9 14.6 22 22 A G T < 5S+ 0 0 64 -3,-2.0 2,-0.6 1,-0.2 -2,-0.1 0.707 88.0 124.3 80.9 23.1 8.0 -1.8 15.2 23 23 A I B < -C 18 0B 17 -5,-1.8 -5,-2.3 -7,-0.1 -2,-0.2 -0.940 48.7-148.0-121.7 110.5 10.9 -2.7 13.0 24 24 A S > - 0 0 75 -2,-0.6 3,-1.1 -7,-0.2 -7,-0.1 -0.386 35.4 -84.6 -74.0 151.3 13.8 -4.4 14.6 25 25 A P T 3 S+ 0 0 84 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.206 114.0 35.5 -55.0 143.4 17.3 -3.9 13.3 26 26 A G T 3 S+ 0 0 49 -12,-3.2 2,-0.6 1,-0.3 -11,-0.2 0.573 78.5 143.0 87.0 10.3 18.3 -6.1 10.3 27 27 A T < - 0 0 22 -3,-1.1 -1,-0.3 -13,-0.6 -10,-0.2 -0.772 49.0-130.3 -81.0 122.5 14.9 -5.9 8.8 28 28 A K >> - 0 0 89 -2,-0.6 3,-2.2 1,-0.1 4,-0.7 -0.381 16.2-119.4 -73.0 146.1 15.2 -5.8 5.0 29 29 A F G >4 S+ 0 0 13 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.914 116.9 57.2 -50.3 -45.9 13.2 -3.1 3.3 30 30 A E G 34 S+ 0 0 116 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.680 104.0 53.9 -58.4 -19.8 11.4 -5.9 1.4 31 31 A E G <4 S+ 0 0 117 -3,-2.2 -1,-0.3 2,-0.0 -2,-0.2 0.544 81.9 112.2 -93.5 -10.5 10.3 -7.3 4.8 32 32 A L S << S- 0 0 5 -3,-1.8 -9,-0.0 -4,-0.7 -4,-0.0 -0.294 82.0 -96.0 -61.5 147.4 8.8 -4.1 6.0 33 33 A P > - 0 0 48 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.266 29.1-116.0 -61.3 157.3 5.1 -4.3 6.3 34 34 A D T 3 S+ 0 0 158 1,-0.3 11,-0.4 -3,-0.1 -2,-0.1 0.815 116.6 52.1 -63.4 -31.2 3.0 -3.0 3.4 35 35 A D T 3 S+ 0 0 126 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.288 81.9 115.7 -92.9 8.5 1.7 -0.3 5.7 36 36 A W < - 0 0 10 -3,-1.5 9,-0.6 3,-0.0 2,-0.3 -0.529 44.6-177.2 -73.1 144.4 5.0 0.9 6.9 37 37 A V B -D 44 0C 86 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.933 40.1 -69.3-139.2 165.1 5.8 4.4 5.8 38 38 A C > - 0 0 1 5,-2.8 4,-2.5 -2,-0.3 5,-0.1 -0.358 41.0-142.7 -55.3 119.5 8.6 6.9 6.1 39 39 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.638 96.8 43.6 -65.5 -12.3 8.7 7.8 9.8 40 40 A I T 4 S+ 0 0 148 3,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.888 132.6 9.5 -94.5 -56.3 9.6 11.4 8.8 41 41 A C T 4 S- 0 0 47 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.480 91.5-119.6-111.1 -6.2 7.3 12.3 5.9 42 42 A G < + 0 0 34 -4,-2.5 0, 0.0 1,-0.2 0, 0.0 0.588 53.4 159.6 81.1 8.2 4.8 9.5 5.7 43 43 A A - 0 0 4 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.373 41.3-115.0 -61.6 141.0 5.7 8.5 2.2 44 44 A P B > -D 37 0C 66 0, 0.0 3,-2.7 0, 0.0 -7,-0.2 -0.315 33.1 -97.0 -73.7 163.0 4.7 4.9 1.2 45 45 A K G > S+ 0 0 38 -9,-0.6 3,-2.2 -11,-0.4 -8,-0.1 0.781 118.0 73.3 -51.7 -31.1 7.4 2.3 0.4 46 46 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.722 89.0 61.3 -58.7 -21.8 6.9 3.1 -3.3 47 47 A E G < S+ 0 0 58 -3,-2.7 -41,-2.7 2,-0.0 2,-0.3 0.306 86.9 97.3 -93.4 9.8 8.7 6.3 -2.8 48 48 A F E < -B 5 0A 13 -3,-2.2 2,-0.4 -43,-0.2 -43,-0.2 -0.747 54.4-160.6 -99.9 148.2 12.0 4.7 -1.6 49 49 A E E -B 4 0A 97 -45,-2.4 -45,-3.1 -2,-0.3 2,-0.3 -0.985 21.5-121.8-126.5 138.4 15.0 4.0 -3.7 50 50 A K E B 3 0A 120 -2,-0.4 -47,-0.2 -47,-0.3 -2,-0.0 -0.596 360.0 360.0 -77.7 133.5 17.7 1.5 -2.8 51 51 A L 0 0 142 -49,-2.9 -49,-0.3 -2,-0.3 -1,-0.1 -0.691 360.0 360.0 -86.6 360.0 21.1 3.2 -2.6