==== 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 4AR5 . 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) . 3526.0 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 0 101 0, 0.0 15,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-172.0 23.2 31.0 4.8 2 1 A A - 0 0 22 12,-0.1 13,-2.5 13,-0.1 2,-0.4 -0.341 360.0-145.5 -88.9 161.7 21.5 33.3 2.4 3 2 A K E -A 14 0A 77 49,-0.3 49,-3.0 11,-0.2 2,-0.4 -0.954 11.4-166.4-121.3 144.0 20.4 37.0 2.7 4 3 A W E -AB 13 51A 28 9,-2.4 9,-3.2 -2,-0.4 2,-0.4 -0.996 11.0-141.7-131.7 135.9 17.3 38.4 1.0 5 4 A V E -AB 12 50A 36 45,-2.8 45,-2.1 -2,-0.4 2,-0.7 -0.790 14.1-128.3-103.2 138.6 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 -0.740 18.4-152.8 -76.0 116.2 13.1 43.7 0.9 7 6 A K T 4 S+ 0 0 115 41,-2.8 -1,-0.1 -2,-0.7 42,-0.1 0.668 89.1 53.1 -70.2 -14.9 12.9 45.7 -2.3 8 7 A I T 4 S+ 0 0 138 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.936 128.2 6.5 -82.0 -51.2 10.5 48.2 -0.7 9 8 A C T 4 S- 0 0 46 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.567 92.5-112.9-117.9 -12.6 12.4 49.3 2.4 10 9 A G < + 0 0 38 -4,-2.2 -3,-0.1 1,-0.3 2,-0.1 0.426 58.9 151.0 90.8 -0.9 15.9 47.8 2.4 11 10 A Y - 0 0 43 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.5 -0.397 38.6-139.5 -58.0 137.7 15.5 45.4 5.3 12 11 A I E -A 5 0A 85 -7,-0.2 2,-0.8 -2,-0.1 -7,-0.2 -0.925 3.4-150.3-103.5 120.7 17.7 42.3 5.0 13 12 A Y E -A 4 0A 0 -9,-3.2 -9,-2.4 -2,-0.5 2,-0.6 -0.864 17.4-164.5 -83.4 113.5 16.2 38.9 6.0 14 13 A D E >> -A 3 0A 44 -2,-0.8 4,-2.1 4,-0.4 3,-1.3 -0.919 14.1-152.8-104.9 113.3 19.3 37.0 7.1 15 14 A E T 34 S+ 0 0 8 -13,-2.5 12,-2.6 -2,-0.6 13,-0.5 0.817 96.1 58.9 -57.3 -30.8 18.6 33.3 7.3 16 15 A D T 34 S+ 0 0 82 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.796 114.2 36.7 -67.9 -28.2 21.3 33.0 10.0 17 16 A A T <4 S- 0 0 50 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.727 88.4-171.0 -91.7 -29.5 19.4 35.5 12.2 18 17 A G < - 0 0 4 -4,-2.1 -4,-0.4 10,-0.2 7,-0.2 -0.347 40.5 -86.1 63.0-151.0 15.9 34.5 11.5 19 18 A D B > > +C 24 0B 14 5,-2.1 5,-2.0 -6,-0.1 3,-1.8 -0.514 51.5 170.9-153.2 68.4 13.2 36.8 12.9 20 19 A P G > 5S+ 0 0 75 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.842 72.8 62.7 -63.2 -33.8 12.6 35.6 16.4 21 20 A D G 3 5S+ 0 0 154 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.687 110.2 43.1 -64.4 -18.3 10.4 38.4 17.5 22 21 A N G < 5S- 0 0 100 -3,-1.8 -1,-0.3 2,-0.2 3,-0.1 0.002 131.8 -87.8-116.6 25.0 7.9 37.3 14.8 23 22 A G T < 5S+ 0 0 63 -3,-2.1 2,-0.6 1,-0.2 -2,-0.1 0.635 88.3 122.9 90.1 16.5 8.1 33.6 15.4 24 23 A I B < -C 19 0B 19 -5,-2.0 -5,-2.1 -7,-0.1 -1,-0.2 -0.930 48.7-146.8-121.1 110.2 11.1 32.6 13.2 25 24 A S > - 0 0 75 -2,-0.6 3,-1.0 -7,-0.2 -7,-0.1 -0.320 36.0 -84.3 -71.7 154.5 14.1 30.9 14.8 26 25 A P T 3 S+ 0 0 84 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.311 113.7 36.8 -55.1 140.8 17.6 31.4 13.5 27 26 A G T 3 S+ 0 0 35 -12,-2.6 2,-0.6 1,-0.3 -11,-0.2 0.551 77.3 141.8 91.0 11.3 18.5 29.2 10.5 28 27 A T < - 0 0 24 -3,-1.0 -1,-0.3 -13,-0.5 -10,-0.2 -0.768 48.7-131.2 -87.5 119.1 15.1 29.3 8.9 29 28 A K > - 0 0 105 -2,-0.6 3,-1.6 1,-0.1 4,-0.5 -0.358 17.6-117.9 -66.2 149.9 15.4 29.5 5.1 30 29 A F G > S+ 0 0 14 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.888 116.0 56.9 -54.7 -41.0 13.4 32.2 3.3 31 30 A E G 3 S+ 0 0 118 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.725 103.6 55.4 -65.4 -19.7 11.5 29.4 1.4 32 31 A E G < S+ 0 0 118 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.464 80.6 112.7 -91.0 -5.7 10.5 28.0 4.8 33 32 A L S < S- 0 0 4 -3,-1.5 -9,-0.0 -4,-0.5 -3,-0.0 -0.440 82.5 -94.0 -65.5 143.5 8.9 31.2 6.1 34 33 A P > - 0 0 53 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.192 33.1-113.1 -54.7 149.9 5.1 30.9 6.5 35 34 A D T 3 S+ 0 0 161 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.773 117.0 48.6 -57.1 -29.0 3.1 32.2 3.5 36 35 A D T 3 S+ 0 0 128 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.288 79.8 120.0-100.8 12.5 1.8 35.1 5.6 37 36 A W < - 0 0 13 -3,-1.9 9,-0.6 8,-0.0 2,-0.3 -0.540 44.5-172.0 -67.4 141.0 5.2 36.3 7.0 38 37 A V B -D 45 0C 91 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.888 36.9 -72.0-132.3 163.8 5.8 39.8 5.9 39 38 A C > - 0 0 1 5,-2.7 4,-1.8 -2,-0.3 5,-0.0 -0.350 41.3-141.0 -53.0 127.4 8.7 42.3 6.1 40 39 A P T 4 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.669 96.1 43.5 -71.6 -14.3 8.9 43.2 9.8 41 40 A I T 4 S+ 0 0 153 3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.897 132.0 10.1 -91.8 -54.6 9.7 46.9 8.9 42 41 A C T 4 S- 0 0 48 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.558 92.0-118.0-110.4 -11.3 7.3 47.8 6.0 43 42 A G < + 0 0 33 -4,-1.8 0, 0.0 1,-0.2 0, 0.0 0.513 54.4 158.6 86.6 5.7 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 -0.342 41.5-113.9 -65.0 142.1 5.7 43.9 2.3 45 44 A P B > -D 38 0C 68 0, 0.0 3,-2.3 0, 0.0 -7,-0.2 -0.225 32.1 -98.6 -68.3 165.6 4.8 40.4 1.3 46 45 A K G > S+ 0 0 40 -9,-0.6 3,-1.8 -11,-0.3 -8,-0.1 0.768 116.9 74.1 -55.2 -29.7 7.4 37.7 0.5 47 46 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.704 89.3 60.6 -56.0 -23.0 6.9 38.4 -3.2 48 47 A E G < S+ 0 0 62 -3,-2.3 -41,-2.8 2,-0.0 2,-0.3 0.243 86.0 95.9 -96.4 13.7 8.8 41.7 -2.8 49 48 A F E < -B 6 0A 15 -3,-1.8 2,-0.4 -43,-0.2 -43,-0.2 -0.774 54.2-161.5-101.7 149.0 12.1 40.1 -1.6 50 49 A E E -B 5 0A 99 -45,-2.1 -45,-2.8 -2,-0.3 2,-0.2 -0.991 22.9-117.6-128.9 137.1 15.1 39.3 -3.8 51 50 A K E -B 4 0A 72 -2,-0.4 2,-1.4 -47,-0.2 -47,-0.3 -0.534 24.9-126.8 -74.2 135.4 17.9 36.9 -2.9 52 51 A L S S+ 0 0 96 -49,-3.0 -49,-0.3 -2,-0.2 2,-0.3 -0.680 73.8 87.1 -88.2 90.8 21.3 38.5 -2.6 53 52 A E 0 0 134 -2,-1.4 -2,-0.0 -51,-0.1 -51,-0.0 -0.925 360.0 360.0-167.7 167.9 23.4 36.4 -5.0 54 53 A D 0 0 216 -2,-0.3 -3,-0.0 0, 0.0 -2,-0.0 -0.397 360.0 360.0 -97.2 360.0 24.2 36.4 -8.7