==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 20-APR-12 4AR6 . 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) . 3536.0 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 0 100 0, 0.0 2,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0-172.0 23.1 30.8 4.7 2 1 A A - 0 0 22 12,-0.1 13,-2.5 13,-0.0 2,-0.4 -0.376 360.0-143.6 -91.3 162.4 21.5 33.2 2.3 3 2 A K E -A 14 0A 80 49,-0.4 49,-3.0 11,-0.2 2,-0.4 -0.958 11.8-165.3-121.2 143.3 20.4 36.8 2.6 4 3 A W E -AB 13 51A 29 9,-2.4 9,-3.3 -2,-0.4 2,-0.4 -0.992 10.7-142.1-129.9 135.0 17.3 38.3 1.0 5 4 A V E -AB 12 50A 18 45,-2.7 45,-2.1 -2,-0.4 2,-0.6 -0.784 13.8-128.8-102.9 138.8 16.5 42.0 0.6 6 5 A C E > - B 0 49A 2 5,-2.9 4,-1.9 -2,-0.4 43,-0.2 -0.727 16.9-153.4 -75.4 116.6 13.1 43.6 0.8 7 6 A K T 4 S+ 0 0 122 41,-2.7 -1,-0.1 -2,-0.6 42,-0.1 0.723 89.2 54.2 -69.2 -16.9 12.8 45.6 -2.4 8 7 A I T 4 S+ 0 0 120 40,-0.3 -1,-0.2 3,-0.1 41,-0.0 0.967 128.8 4.0 -78.9 -55.3 10.5 48.1 -0.7 9 8 A C T 4 S- 0 0 55 2,-0.1 -2,-0.2 35,-0.0 -1,-0.1 0.586 92.6-112.3-114.4 -14.8 12.4 49.2 2.4 10 9 A G < + 0 0 41 -4,-1.9 -3,-0.1 1,-0.3 2,-0.0 0.440 57.9 154.0 91.9 0.5 15.8 47.6 2.3 11 10 A Y - 0 0 46 -6,-0.1 -5,-2.9 -5,-0.1 2,-0.6 -0.382 37.6-138.4 -55.7 139.1 15.4 45.2 5.3 12 11 A I E -A 5 0A 81 -7,-0.2 2,-0.8 37,-0.1 -7,-0.2 -0.924 4.9-151.8-103.7 117.5 17.7 42.2 5.0 13 12 A Y E -A 4 0A 0 -9,-3.3 -9,-2.4 -2,-0.6 2,-0.6 -0.863 16.8-164.8 -83.7 114.3 16.2 38.8 5.9 14 13 A D E >> -A 3 0A 44 -2,-0.8 4,-2.2 4,-0.4 3,-1.2 -0.914 14.3-153.1-105.1 113.6 19.3 36.9 7.0 15 14 A E T 34 S+ 0 0 9 -13,-2.5 12,-2.4 -2,-0.6 13,-0.6 0.817 96.1 58.2 -58.3 -31.6 18.6 33.1 7.2 16 15 A D T 34 S+ 0 0 81 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.807 114.4 37.2 -66.7 -29.8 21.3 32.8 9.9 17 16 A A T <4 S- 0 0 50 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.739 88.4-171.1 -90.3 -27.8 19.5 35.3 12.1 18 17 A G < - 0 0 5 -4,-2.2 -4,-0.4 10,-0.2 7,-0.2 -0.349 41.1 -84.8 61.6-150.6 15.9 34.3 11.4 19 18 A D B > > +C 24 0B 13 5,-2.1 5,-2.0 -4,-0.1 3,-1.8 -0.498 52.0 171.1-152.9 64.6 13.2 36.7 12.8 20 19 A P G > 5S+ 0 0 78 0, 0.0 3,-2.3 0, 0.0 5,-0.1 0.855 73.3 61.5 -53.3 -42.6 12.7 35.4 16.4 21 20 A D G 3 5S+ 0 0 156 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.691 110.6 43.0 -62.0 -18.9 10.5 38.3 17.5 22 21 A N G < 5S- 0 0 100 -3,-1.8 -1,-0.3 2,-0.2 3,-0.1 0.035 131.4 -87.3-117.0 24.1 8.0 37.2 14.8 23 22 A G T < 5S+ 0 0 63 -3,-2.3 2,-0.6 1,-0.2 -2,-0.1 0.624 88.6 121.9 90.9 16.2 8.2 33.5 15.4 24 23 A I B < -C 19 0B 20 -5,-2.0 -5,-2.1 -7,-0.1 -1,-0.2 -0.930 49.1-146.9-121.1 111.3 11.1 32.5 13.2 25 24 A S > - 0 0 75 -2,-0.6 3,-0.9 -7,-0.2 -7,-0.1 -0.314 36.2 -83.2 -72.6 156.2 14.1 30.8 14.7 26 25 A P T 3 S+ 0 0 84 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.291 113.7 36.3 -55.7 142.1 17.7 31.2 13.4 27 26 A G T 3 S+ 0 0 36 -12,-2.4 2,-0.6 1,-0.3 -11,-0.2 0.590 77.1 142.5 87.8 14.7 18.5 29.1 10.5 28 27 A T < - 0 0 19 -3,-0.9 -1,-0.3 -13,-0.6 -10,-0.2 -0.790 48.1-132.0 -89.5 119.1 15.1 29.2 8.8 29 28 A K > - 0 0 102 -2,-0.6 3,-1.7 1,-0.1 4,-0.5 -0.356 18.1-117.5 -67.2 149.6 15.4 29.4 5.0 30 29 A F G > S+ 0 0 14 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.884 116.4 57.0 -54.8 -40.2 13.4 32.0 3.2 31 30 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.690 103.4 55.9 -65.7 -18.0 11.5 29.2 1.4 32 31 A E G < S+ 0 0 122 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.472 80.6 113.1 -92.4 -6.1 10.5 27.8 4.8 33 32 A L S < S- 0 0 4 -3,-1.5 -9,-0.0 -4,-0.5 -3,-0.0 -0.437 81.8 -94.8 -66.3 142.7 8.9 31.0 6.0 34 33 A P > - 0 0 54 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.183 33.4-113.2 -54.2 149.7 5.1 30.8 6.5 35 34 A D T 3 S+ 0 0 160 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.768 116.9 48.6 -59.3 -27.0 3.1 32.0 3.5 36 35 A D T 3 S+ 0 0 136 9,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.304 79.8 119.6-101.8 10.5 1.8 34.9 5.6 37 36 A W < - 0 0 15 -3,-1.9 9,-0.6 8,-0.0 2,-0.3 -0.532 44.4-173.1 -63.8 140.2 5.2 36.1 7.0 38 37 A V B -D 45 0C 65 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.889 37.5 -70.6-132.6 164.5 5.8 39.7 5.9 39 38 A C > - 0 0 2 5,-2.7 4,-1.5 -2,-0.3 7,-0.0 -0.339 41.1-140.6 -52.9 128.6 8.7 42.1 6.1 40 39 A P T 4 S+ 0 0 36 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.647 96.1 43.7 -71.6 -13.6 9.0 43.1 9.8 41 40 A I T 4 S+ 0 0 141 3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.904 132.1 8.6 -91.9 -59.0 9.7 46.7 8.9 42 41 A C T 4 S- 0 0 56 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.580 92.3-117.2-107.2 -11.8 7.3 47.7 6.1 43 42 A G < + 0 0 40 -4,-1.5 0, 0.0 1,-0.2 0, 0.0 0.499 54.0 160.2 86.6 6.9 4.9 44.8 5.9 44 43 A A - 0 0 9 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.2 -0.314 40.6-114.9 -62.8 142.2 5.7 43.8 2.3 45 44 A P B > -D 38 0C 70 0, 0.0 3,-2.4 0, 0.0 -7,-0.2 -0.255 32.1 -97.5 -71.8 165.7 4.8 40.2 1.3 46 45 A K G > S+ 0 0 40 -9,-0.6 3,-2.0 -11,-0.3 -8,-0.1 0.782 117.2 73.8 -53.0 -30.8 7.3 37.6 0.5 47 46 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.697 89.6 60.5 -56.5 -22.5 6.9 38.3 -3.2 48 47 A E G < S+ 0 0 72 -3,-2.4 -41,-2.7 2,-0.0 2,-0.3 0.289 85.7 95.9 -95.5 10.5 8.8 41.6 -2.8 49 48 A F E < -B 6 0A 17 -3,-2.0 2,-0.4 -43,-0.2 -43,-0.2 -0.750 54.1-161.9-100.1 148.0 12.1 40.0 -1.6 50 49 A E E -B 5 0A 102 -45,-2.1 -45,-2.7 -2,-0.3 2,-0.2 -0.992 22.7-117.9-128.4 136.0 15.0 39.1 -3.8 51 50 A K E -B 4 0A 69 -2,-0.4 2,-1.3 -47,-0.2 -47,-0.3 -0.522 25.3-125.8 -72.5 135.8 17.9 36.7 -2.9 52 51 A L S S+ 0 0 103 -49,-3.0 -49,-0.4 -2,-0.2 2,-0.3 -0.684 73.4 89.9 -88.0 94.6 21.3 38.4 -2.7 53 52 A E 0 0 133 -2,-1.3 -2,-0.0 -51,-0.1 -51,-0.0 -0.925 360.0 360.0-172.2 160.9 23.3 36.3 -5.1 54 53 A D 0 0 219 -2,-0.3 -2,-0.0 0, 0.0 -3,-0.0 -0.527 360.0 360.0 -85.8 360.0 24.1 36.4 -8.8