==== 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 07-JUL-11 3SS2 . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS DSM 3638; . AUTHOR P.MUNSHI,C.-L.CHUNG,M.P.BLAKELEY,K.L.WEISS,D.A.A.MYLES,F.MEI . 51 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3168.0 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 . 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,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.7 21.2 -2.0 2.5 2 2 A K E -A 13 0A 73 49,-0.4 49,-2.7 11,-0.2 2,-0.4 -0.917 360.0-167.1-114.5 150.3 20.1 1.6 2.7 3 3 A W E -AB 12 50A 29 9,-2.5 9,-3.7 -2,-0.4 2,-0.4 -0.995 11.2-142.3-136.2 139.0 17.1 3.0 1.1 4 4 A V E -AB 11 49A 37 45,-2.9 45,-2.0 -2,-0.4 2,-0.7 -0.874 15.4-126.1-110.8 134.1 16.3 6.7 0.7 5 5 A C E > - B 0 48A 1 5,-3.4 4,-2.4 -2,-0.4 43,-0.2 -0.662 18.8-154.0 -72.7 115.6 13.0 8.4 0.9 6 6 A K T 4 S+ 0 0 103 41,-2.8 -1,-0.2 -2,-0.7 42,-0.1 0.659 89.8 53.9 -71.0 -15.2 12.8 10.3 -2.3 7 7 A I T 4 S+ 0 0 134 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.943 128.1 5.9 -81.1 -53.6 10.5 12.7 -0.7 8 8 A C T 4 S- 0 0 47 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.586 93.4-111.6-114.9 -13.3 12.3 13.8 2.4 9 9 A G < + 0 0 38 -4,-2.4 -3,-0.1 1,-0.3 0, 0.0 0.392 60.2 151.9 96.6 -3.8 15.8 12.3 2.3 10 10 A Y - 0 0 44 -5,-0.1 -5,-3.4 -6,-0.1 2,-0.6 -0.310 37.9-139.8 -58.0 141.7 15.3 10.0 5.2 11 11 A I E -A 4 0A 92 -7,-0.2 2,-0.7 37,-0.1 -7,-0.3 -0.938 3.9-151.5-108.7 119.2 17.5 6.9 4.9 12 12 A Y E -A 3 0A 0 -9,-3.7 -9,-2.5 -2,-0.6 2,-0.6 -0.810 17.0-165.1 -84.2 119.3 16.0 3.6 5.9 13 13 A D E >> -A 2 0A 43 -2,-0.7 4,-2.2 4,-0.5 3,-0.8 -0.946 15.3-152.6-108.5 121.9 19.0 1.6 7.0 14 14 A E T 34 S+ 0 0 19 -13,-2.6 12,-2.9 -2,-0.6 13,-0.4 0.737 96.9 57.9 -67.1 -22.0 18.3 -2.1 7.3 15 15 A D T 34 S+ 0 0 111 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.761 114.4 37.9 -74.8 -27.6 21.0 -2.4 10.0 16 16 A A T <4 S- 0 0 49 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.735 89.4-171.9 -92.4 -29.7 19.2 0.2 12.1 17 17 A G < - 0 0 4 -4,-2.2 -4,-0.5 10,-0.2 7,-0.2 -0.411 41.2 -88.1 65.7-144.8 15.6 -0.9 11.3 18 18 A D B > > +C 23 0B 12 5,-2.5 5,-2.1 -4,-0.1 3,-1.7 -0.441 52.1 170.2-161.4 65.5 13.0 1.4 12.7 19 19 A P G > 5S+ 0 0 79 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.790 72.1 65.3 -62.1 -30.4 12.3 0.2 16.2 20 20 A D G 3 5S+ 0 0 150 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.717 109.8 41.3 -65.0 -17.9 10.2 3.1 17.2 21 21 A N G < 5S- 0 0 101 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.019 132.8 -86.4-120.5 25.4 7.7 2.0 14.6 22 22 A G T < 5S+ 0 0 64 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.622 88.4 125.8 90.6 17.0 7.9 -1.8 15.3 23 23 A I B < -C 18 0B 16 -5,-2.1 -5,-2.5 -7,-0.1 -1,-0.2 -0.900 47.3-148.0-116.6 110.6 10.9 -2.6 13.1 24 24 A S > - 0 0 76 -2,-0.6 3,-1.2 -7,-0.2 -7,-0.1 -0.303 35.6 -87.0 -70.8 153.3 13.8 -4.5 14.6 25 25 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.308 113.7 37.6 -57.5 141.6 17.3 -3.9 13.3 26 26 A G T 3 S+ 0 0 50 -12,-2.9 2,-0.7 1,-0.3 -11,-0.2 0.523 77.6 141.7 93.4 6.8 18.2 -6.1 10.4 27 27 A T < - 0 0 19 -3,-1.2 -1,-0.3 -13,-0.4 -10,-0.2 -0.748 49.2-132.4 -82.2 118.6 14.8 -5.9 8.8 28 28 A K >> - 0 0 87 -2,-0.7 3,-1.7 1,-0.1 4,-0.5 -0.323 17.6-117.1 -69.6 151.4 15.2 -5.7 5.1 29 29 A F G >4 S+ 0 0 13 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.921 117.2 57.1 -54.9 -45.3 13.2 -3.1 3.2 30 30 A E G 34 S+ 0 0 113 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.649 103.3 55.7 -61.1 -15.2 11.4 -5.8 1.4 31 31 A E G <4 S+ 0 0 117 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.487 81.3 113.1 -95.2 -7.9 10.3 -7.3 4.8 32 32 A L S << S- 0 0 5 -3,-1.9 -9,-0.0 -4,-0.5 -3,-0.0 -0.385 81.7 -95.8 -64.3 143.6 8.8 -4.0 5.9 33 33 A P > - 0 0 49 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.282 28.5-118.5 -56.8 146.0 5.0 -4.2 6.3 34 34 A D T 3 S+ 0 0 159 1,-0.3 11,-0.4 -3,-0.1 -2,-0.1 0.812 116.9 53.5 -54.6 -32.1 3.0 -3.0 3.4 35 35 A D T 3 S+ 0 0 128 9,-0.1 -1,-0.3 10,-0.1 2,-0.2 0.296 82.1 114.6 -92.0 9.9 1.6 -0.3 5.7 36 36 A W < - 0 0 11 -3,-2.3 9,-0.7 3,-0.0 2,-0.3 -0.546 44.9-177.0 -75.4 145.7 5.0 0.9 6.8 37 37 A V B -D 44 0C 84 -2,-0.2 6,-0.1 7,-0.2 -2,-0.1 -0.944 40.9 -70.2-140.1 163.3 5.8 4.5 5.8 38 38 A C > - 0 0 0 5,-3.1 4,-2.8 -2,-0.3 5,-0.1 -0.351 41.5-143.2 -54.9 120.5 8.6 6.9 6.0 39 39 A P T 4 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.614 96.5 45.3 -68.1 -10.7 8.7 7.8 9.7 40 40 A I T 4 S+ 0 0 148 3,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.899 133.2 7.6 -91.6 -58.9 9.6 11.4 8.8 41 41 A C T 4 S- 0 0 49 2,-0.1 -3,-0.1 -31,-0.0 0, 0.0 0.503 91.7-120.9-109.3 -6.7 7.3 12.3 5.9 42 42 A G < + 0 0 34 -4,-2.8 0, 0.0 1,-0.2 0, 0.0 0.629 52.7 159.5 75.7 13.4 4.9 9.4 5.8 43 43 A A - 0 0 6 -5,-0.1 -5,-3.1 -6,-0.1 -1,-0.2 -0.449 42.1-113.5 -65.6 141.8 5.7 8.5 2.2 44 44 A P B > -D 37 0C 64 0, 0.0 3,-2.4 0, 0.0 -7,-0.2 -0.246 33.6 -94.9 -72.8 165.7 4.7 4.9 1.3 45 45 A K G > S+ 0 0 38 -9,-0.7 3,-2.2 -11,-0.4 -8,-0.1 0.793 118.2 74.2 -50.5 -32.1 7.3 2.3 0.5 46 46 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.733 88.7 61.0 -58.0 -21.6 6.9 3.1 -3.2 47 47 A E G < S+ 0 0 58 -3,-2.4 -41,-2.8 2,-0.0 2,-0.4 0.268 85.6 98.8 -94.4 13.9 8.8 6.3 -2.8 48 48 A F E < -B 5 0A 14 -3,-2.2 2,-0.4 -43,-0.2 -43,-0.2 -0.790 53.5-161.2-102.0 144.7 12.0 4.7 -1.6 49 49 A E E -B 4 0A 95 -45,-2.0 -45,-2.9 -2,-0.4 2,-0.3 -0.973 22.1-122.2-119.9 137.7 15.0 4.0 -3.7 50 50 A K E B 3 0A 121 -2,-0.4 -47,-0.3 -47,-0.3 -2,-0.0 -0.626 360.0 360.0 -77.6 135.9 17.7 1.5 -2.8 51 51 A L 0 0 141 -49,-2.7 -49,-0.4 -2,-0.3 -1,-0.1 -0.727 360.0 360.0 -89.6 360.0 21.1 3.1 -2.6