==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 20-APR-12 4AR3 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR M.G.CUYPERS,S.A.MASON,M.P.BLAKELEY,E.P.MITCHELL,M.HAERTLEIN, . 54 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3551.0 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 . 12 22.2 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 . 3 5.6 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 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 0 A M 0 0 105 0, 0.0 15,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-175.1 23.1 31.0 4.9 2 1 A A - 0 0 23 12,-0.1 13,-2.5 13,-0.0 2,-0.4 -0.329 360.0-144.7 -89.6 161.2 21.5 33.4 2.4 3 2 A K E -A 14 0A 78 49,-0.3 49,-3.1 11,-0.2 2,-0.4 -0.974 11.7-166.9-121.0 143.4 20.4 36.9 2.7 4 3 A W E -AB 13 51A 30 9,-2.2 9,-3.3 -2,-0.4 2,-0.4 -0.986 11.2-142.5-131.3 135.4 17.3 38.4 1.0 5 4 A V E -AB 12 50A 36 45,-2.5 45,-2.1 -2,-0.4 2,-0.7 -0.803 14.8-127.6-104.4 139.6 16.5 42.1 0.6 6 5 A C E > - B 0 49A 1 5,-2.9 4,-2.2 -2,-0.4 43,-0.2 -0.743 18.7-152.0 -77.4 113.3 13.1 43.7 0.9 7 6 A K T 4 S+ 0 0 122 41,-2.8 -1,-0.1 -2,-0.7 42,-0.1 0.691 89.3 53.0 -65.5 -18.7 12.9 45.7 -2.4 8 7 A I T 4 S+ 0 0 140 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.939 128.1 7.0 -82.1 -49.6 10.5 48.2 -0.8 9 8 A C T 4 S- 0 0 46 2,-0.1 -2,-0.2 35,-0.0 -1,-0.1 0.547 92.6-113.2-117.3 -13.7 12.4 49.3 2.4 10 9 A G < + 0 0 36 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.468 58.7 151.3 92.5 -1.7 15.9 47.8 2.4 11 10 A Y - 0 0 44 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.6 -0.434 38.7-139.3 -57.1 139.5 15.5 45.4 5.3 12 11 A I E -A 5 0A 87 -7,-0.2 2,-0.8 -2,-0.1 -7,-0.2 -0.923 3.8-150.5-105.1 117.8 17.7 42.3 5.0 13 12 A Y E -A 4 0A 0 -9,-3.3 -9,-2.2 -2,-0.6 2,-0.6 -0.829 17.5-163.8 -83.9 114.2 16.2 39.0 6.0 14 13 A D E >> -A 3 0A 37 -2,-0.8 4,-2.0 4,-0.4 3,-1.1 -0.900 14.4-153.0-104.3 112.0 19.3 37.0 7.1 15 14 A E T 34 S+ 0 0 9 -13,-2.5 12,-2.6 -2,-0.6 13,-0.6 0.844 96.6 58.9 -54.8 -31.9 18.6 33.3 7.3 16 15 A D T 34 S+ 0 0 84 -14,-0.3 -1,-0.3 1,-0.2 -13,-0.1 0.841 114.2 36.1 -66.1 -32.4 21.3 33.0 10.0 17 16 A A T <4 S- 0 0 50 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.689 88.3-170.2 -91.0 -25.4 19.4 35.5 12.2 18 17 A G < - 0 0 4 -4,-2.0 -4,-0.4 10,-0.2 -1,-0.2 -0.303 41.0 -86.8 58.1-148.2 15.8 34.5 11.4 19 18 A D B > > +C 24 0B 13 5,-1.9 5,-1.9 -6,-0.1 3,-1.7 -0.528 51.8 172.1-153.7 67.8 13.2 36.9 12.9 20 19 A P G > 5S+ 0 0 81 0, 0.0 3,-1.5 0, 0.0 5,-0.1 0.799 72.7 62.4 -67.5 -26.7 12.6 35.5 16.4 21 20 A D G 3 5S+ 0 0 154 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.737 109.7 43.8 -66.6 -20.1 10.4 38.4 17.5 22 21 A N G < 5S- 0 0 102 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.068 131.8 -87.5-114.3 26.1 7.9 37.4 14.8 23 22 A G T < 5S+ 0 0 63 -3,-1.5 2,-0.5 1,-0.2 -2,-0.1 0.611 89.2 121.6 89.2 15.2 8.1 33.6 15.4 24 23 A I B < -C 19 0B 21 -5,-1.9 -5,-1.9 -7,-0.1 -1,-0.2 -0.925 49.7-146.6-119.9 108.6 11.0 32.6 13.2 25 24 A S > - 0 0 76 -2,-0.5 3,-1.1 -7,-0.2 -7,-0.1 -0.353 35.9 -85.6 -68.7 154.8 14.1 30.9 14.7 26 25 A P T 3 S+ 0 0 84 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.334 114.1 38.3 -56.4 142.5 17.6 31.5 13.5 27 26 A G T 3 S+ 0 0 35 -12,-2.6 2,-0.6 1,-0.3 -11,-0.2 0.506 77.2 140.8 90.4 10.8 18.5 29.2 10.6 28 27 A T < - 0 0 24 -3,-1.1 -1,-0.3 -13,-0.6 -10,-0.2 -0.742 49.3-131.8 -88.5 119.9 15.1 29.3 8.9 29 28 A K > - 0 0 111 -2,-0.6 3,-1.1 1,-0.1 4,-0.4 -0.353 18.3-117.0 -68.7 148.8 15.4 29.5 5.1 30 29 A F G > S+ 0 0 13 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.902 116.2 56.8 -54.4 -41.7 13.4 32.2 3.3 31 30 A E G 3 S+ 0 0 116 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.748 103.8 55.3 -63.3 -23.5 11.5 29.4 1.4 32 31 A E G < S+ 0 0 126 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.478 80.5 111.5 -88.8 -5.3 10.4 27.9 4.8 33 32 A L S < S- 0 0 4 -3,-1.6 -9,-0.0 -4,-0.4 -3,-0.0 -0.428 83.8 -92.6 -66.6 146.5 8.9 31.2 6.1 34 33 A P > - 0 0 54 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.200 34.1-113.0 -54.6 151.0 5.1 30.9 6.5 35 34 A D T 3 S+ 0 0 160 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.785 117.5 48.0 -60.1 -28.3 3.1 32.2 3.4 36 35 A D T 3 S+ 0 0 127 9,-0.1 2,-0.3 10,-0.1 -1,-0.3 0.108 79.7 119.8-103.2 17.1 1.8 35.1 5.5 37 36 A W < - 0 0 13 -3,-1.9 9,-0.6 -4,-0.0 2,-0.3 -0.650 45.6-170.4 -68.8 141.0 5.1 36.2 7.0 38 37 A V B -D 45 0C 91 -2,-0.3 6,-0.1 7,-0.2 -2,-0.1 -0.895 36.0 -72.7-132.3 164.8 5.8 39.8 5.9 39 38 A C > - 0 0 1 5,-2.7 4,-1.7 -2,-0.3 5,-0.0 -0.337 42.1-140.8 -54.6 130.2 8.7 42.3 6.1 40 39 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.671 95.9 43.1 -75.3 -13.4 8.9 43.3 9.8 41 40 A I T 4 S+ 0 0 152 3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.883 132.0 11.2 -92.3 -54.4 9.7 46.9 8.9 42 41 A C T 4 S- 0 0 47 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.578 92.0-119.2-109.9 -9.2 7.3 47.8 6.0 43 42 A G < + 0 0 33 -4,-1.7 0, 0.0 1,-0.2 0, 0.0 0.532 53.9 158.3 83.4 6.5 4.8 44.9 5.8 44 43 A A - 0 0 6 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.2 -0.386 41.2-114.0 -64.1 141.4 5.7 43.9 2.3 45 44 A P B > -D 38 0C 67 0, 0.0 3,-2.5 0, 0.0 -7,-0.2 -0.290 32.8 -96.7 -68.1 164.9 4.8 40.3 1.3 46 45 A K G > S+ 0 0 39 -9,-0.6 3,-1.9 -11,-0.3 -8,-0.1 0.779 117.8 73.4 -52.9 -29.3 7.4 37.7 0.4 47 46 A S G 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.702 89.0 61.2 -56.8 -25.2 6.9 38.4 -3.3 48 47 A E G < S+ 0 0 61 -3,-2.5 -41,-2.8 2,-0.0 2,-0.3 0.231 85.9 94.7 -94.0 13.4 8.8 41.7 -2.8 49 48 A F E < -B 6 0A 14 -3,-1.9 2,-0.4 -43,-0.2 -43,-0.2 -0.817 54.0-162.0-104.8 147.4 12.1 40.1 -1.6 50 49 A E E -B 5 0A 104 -45,-2.1 -45,-2.5 -2,-0.3 2,-0.3 -0.981 23.4-117.4-126.4 138.5 15.1 39.3 -3.8 51 50 A K E -B 4 0A 67 -2,-0.4 2,-1.4 -47,-0.2 -47,-0.3 -0.532 24.7-126.6 -76.4 134.7 17.9 36.9 -2.9 52 51 A L S S+ 0 0 101 -49,-3.1 -49,-0.3 -2,-0.3 2,-0.3 -0.643 74.0 90.0 -88.1 93.5 21.4 38.5 -2.6 53 52 A E 0 0 130 -2,-1.4 -2,-0.0 -51,-0.1 -51,-0.0 -0.916 360.0 360.0-170.9 155.2 23.4 36.3 -4.9 54 53 A D 0 0 213 -2,-0.3 -2,-0.0 0, 0.0 -3,-0.0 -0.361 360.0 360.0 -62.5 360.0 24.2 36.6 -8.7