==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-MAR-04 1VCX . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR K.KURIHARA,I.TANAKA,T.CHATAKE,M.W.W.ADAMS,F.E.JENNEY JR.,N.M . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 60.4 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 22.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.7 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 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 7.5 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 1 A A 0 0 40 0, 0.0 13,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.6 21.6 -2.1 2.6 2 2 A K E -A 13 0A 109 49,-0.4 49,-2.9 11,-0.2 2,-0.4 -0.922 360.0-166.3-118.6 142.9 20.4 1.5 2.8 3 3 A W E -AB 12 50A 29 9,-2.5 9,-3.3 -2,-0.4 2,-0.4 -0.983 12.2-141.5-129.0 138.6 17.3 3.0 1.1 4 4 A V E -AB 11 49A 26 45,-3.0 45,-2.0 -2,-0.4 2,-0.8 -0.808 13.9-128.3-107.5 140.8 16.6 6.7 0.7 5 5 A C E > - B 0 48A 1 5,-2.9 4,-2.5 -2,-0.4 43,-0.2 -0.786 18.7-152.6 -80.8 113.4 13.2 8.3 0.9 6 6 A K T 4 S+ 0 0 119 41,-2.8 -1,-0.2 -2,-0.8 42,-0.1 0.756 89.2 53.1 -61.8 -21.7 13.0 10.4 -2.3 7 7 A I T 4 S+ 0 0 109 40,-0.3 -1,-0.2 1,-0.1 41,-0.1 0.960 127.9 7.1 -79.5 -50.9 10.7 12.9 -0.7 8 8 A C T 4 S- 0 0 57 2,-0.1 -2,-0.2 35,-0.0 -1,-0.1 0.551 92.4-112.3-116.0 -8.6 12.6 13.9 2.5 9 9 A G < + 0 0 44 -4,-2.5 -3,-0.1 1,-0.3 2,-0.0 0.423 59.9 150.3 92.5 -5.2 16.1 12.4 2.5 10 10 A Y - 0 0 51 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.5 -0.380 37.5-143.0 -59.8 141.4 15.5 10.0 5.4 11 11 A I E -A 4 0A 69 -7,-0.2 2,-0.7 37,-0.1 -7,-0.2 -0.958 2.2-149.4-111.8 118.5 17.7 6.9 5.0 12 12 A Y E -A 3 0A 0 -9,-3.3 -9,-2.5 -2,-0.5 2,-0.6 -0.847 15.7-164.7 -85.7 118.2 16.3 3.5 6.0 13 13 A D E >> -A 2 0A 44 -2,-0.7 4,-2.1 4,-0.4 3,-1.4 -0.938 14.8-150.1-106.1 115.1 19.3 1.5 7.1 14 14 A E T 34 S+ 0 0 19 -13,-2.4 12,-2.8 -2,-0.6 13,-0.3 0.780 97.9 58.5 -57.2 -26.7 18.5 -2.2 7.4 15 15 A D T 34 S+ 0 0 126 -14,-0.2 -1,-0.3 10,-0.2 -13,-0.1 0.741 113.5 38.0 -72.9 -25.8 21.2 -2.6 10.2 16 16 A A T <4 S- 0 0 50 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.718 87.6-173.1 -94.6 -28.6 19.3 0.0 12.3 17 17 A G < - 0 0 5 -4,-2.1 -4,-0.4 10,-0.2 7,-0.2 -0.306 42.2 -85.3 64.7-150.7 15.7 -0.9 11.5 18 18 A D B > > +C 23 0B 15 5,-2.0 5,-2.4 -4,-0.1 3,-1.6 -0.538 50.9 173.0-154.8 68.4 13.0 1.4 12.9 19 19 A P G > 5S+ 0 0 82 0, 0.0 3,-2.1 0, 0.0 5,-0.1 0.855 74.0 61.4 -51.2 -42.1 12.4 0.2 16.5 20 20 A D G 3 5S+ 0 0 157 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.697 110.4 42.8 -64.5 -14.8 10.1 3.0 17.5 21 21 A N G < 5S- 0 0 100 -3,-1.6 -1,-0.3 2,-0.2 3,-0.1 -0.002 130.9 -89.6-119.1 24.0 7.7 1.9 14.8 22 22 A G T < 5S+ 0 0 66 -3,-2.1 2,-0.6 1,-0.2 -2,-0.1 0.630 86.7 126.0 82.5 19.4 8.0 -1.8 15.4 23 23 A I B < -C 18 0B 12 -5,-2.4 -5,-2.0 -7,-0.1 -1,-0.2 -0.927 47.5-148.4-116.1 109.6 10.9 -2.7 13.2 24 24 A S > - 0 0 78 -2,-0.6 3,-1.3 -7,-0.2 -7,-0.1 -0.403 35.7 -85.0 -74.1 150.6 13.8 -4.5 14.8 25 25 A P T 3 S+ 0 0 83 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.273 113.8 37.9 -55.1 138.0 17.4 -4.0 13.5 26 26 A G T 3 S+ 0 0 50 -12,-2.8 2,-0.5 1,-0.3 -11,-0.2 0.354 77.0 139.3 99.5 -1.0 18.3 -6.3 10.6 27 27 A T < - 0 0 23 -3,-1.3 -1,-0.3 -13,-0.3 -10,-0.2 -0.628 50.1-130.4 -81.5 124.2 14.9 -6.1 8.9 28 28 A K >> - 0 0 122 -2,-0.5 3,-1.5 1,-0.1 4,-0.5 -0.404 17.3-117.3 -72.8 148.3 15.3 -5.9 5.1 29 29 A F G >4 S+ 0 0 13 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.880 116.7 55.4 -54.3 -38.9 13.3 -3.2 3.3 30 30 A E G 34 S+ 0 0 121 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.720 104.0 55.9 -67.4 -22.4 11.4 -5.9 1.4 31 31 A E G <4 S+ 0 0 132 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.508 80.7 113.9 -86.6 -9.1 10.4 -7.4 4.7 32 32 A L S << S- 0 0 4 -3,-1.4 -9,-0.0 -4,-0.5 -3,-0.0 -0.398 81.5 -96.2 -64.1 139.3 8.8 -4.2 5.9 33 33 A P > - 0 0 56 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.161 30.8-115.9 -52.1 152.6 5.0 -4.4 6.4 34 34 A D T 3 S+ 0 0 160 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.776 116.5 54.3 -62.8 -26.0 3.0 -3.0 3.4 35 35 A D T 3 S+ 0 0 132 9,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.296 80.8 116.0 -91.0 5.8 1.7 -0.3 5.6 36 36 A W < - 0 0 14 -3,-1.7 9,-0.5 -4,-0.0 2,-0.3 -0.585 43.8-176.8 -75.4 139.6 5.1 0.9 6.8 37 37 A V B -D 44 0C 63 -2,-0.3 6,-0.2 7,-0.2 -2,-0.1 -0.866 40.6 -71.8-133.6 163.4 5.9 4.5 5.7 38 38 A C > - 0 0 2 5,-2.6 4,-2.0 -2,-0.3 5,-0.0 -0.395 42.5-140.5 -52.2 127.4 8.8 6.9 6.0 39 39 A P T 4 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.699 96.2 44.7 -70.4 -13.0 8.9 7.9 9.7 40 40 A I T 4 S+ 0 0 118 3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.912 131.3 10.8 -93.5 -52.9 9.8 11.5 8.9 41 41 A C T 4 S- 0 0 54 2,-0.1 -3,-0.0 -31,-0.0 -1,-0.0 0.551 92.1-118.0-108.0 -11.8 7.4 12.4 6.0 42 42 A G < + 0 0 40 -4,-2.0 0, 0.0 1,-0.2 0, 0.0 0.403 54.4 158.9 89.8 -1.2 4.9 9.6 5.8 43 43 A A - 0 0 9 -6,-0.2 -5,-2.6 1,-0.1 -1,-0.2 -0.210 41.7-114.0 -62.2 143.0 5.8 8.5 2.2 44 44 A P B > -D 37 0C 73 0, 0.0 3,-1.9 0, 0.0 -7,-0.2 -0.220 33.5-100.0 -69.0 165.9 4.8 5.0 1.1 45 45 A K G > S+ 0 0 44 -9,-0.5 3,-1.9 -11,-0.3 -8,-0.1 0.741 115.8 75.4 -58.7 -27.5 7.5 2.5 0.3 46 46 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.705 88.7 60.8 -59.3 -18.0 7.1 3.2 -3.4 47 47 A E G < S+ 0 0 72 -3,-1.9 -41,-2.8 2,-0.0 -40,-0.3 0.235 86.4 94.8 -97.1 12.5 9.0 6.4 -2.9 48 48 A F E < -B 5 0A 15 -3,-1.9 2,-0.4 -43,-0.2 -43,-0.2 -0.790 54.4-162.2-103.1 151.7 12.2 4.8 -1.6 49 49 A E E -B 4 0A 103 -45,-2.0 -45,-3.0 -2,-0.3 2,-0.2 -0.984 23.2-116.1-133.9 137.7 15.2 4.0 -3.8 50 50 A K E -B 3 0A 94 -2,-0.4 2,-1.1 -47,-0.2 -47,-0.2 -0.555 20.1-134.6 -77.2 137.0 18.0 1.6 -2.9 51 51 A L + 0 0 78 -49,-2.9 -49,-0.4 -2,-0.2 2,-0.3 -0.776 52.8 135.6 -92.8 90.8 21.5 3.2 -2.5 52 52 A E 0 0 112 -2,-1.1 -2,-0.0 1,-0.1 -49,-0.0 -0.998 360.0 360.0-142.6 135.0 23.7 0.7 -4.5 53 53 A D 0 0 216 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.780 360.0 360.0 -70.5 360.0 26.4 1.4 -7.0