==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 24-AUG-98 1BRF . COMPND 2 MOLECULE: PROTEIN (RUBREDOXIN); . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR R.BAU,D.C.REES,D.M.KURTZ,R.A.SCOTT,H.HUANG,M.W.W.ADAMS, . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 62.3 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 . 7 13.2 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 49 0, 0.0 13,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 165.6 21.6 -1.8 2.5 2 2 A K E -A 13 0A 106 49,-0.3 49,-3.0 11,-0.2 2,-0.4 -0.943 360.0-165.4-121.7 144.5 20.3 1.7 2.7 3 3 A W E -AB 12 50A 27 9,-2.3 9,-3.0 -2,-0.4 2,-0.4 -0.969 12.4-139.5-129.9 137.9 17.2 3.1 1.0 4 4 A V E -AB 11 49A 31 45,-2.7 45,-2.1 -2,-0.4 2,-0.7 -0.849 14.9-126.6-102.0 141.0 16.3 6.8 0.6 5 5 A C E > - B 0 48A 1 5,-3.0 4,-2.4 -2,-0.4 43,-0.2 -0.726 20.7-151.7 -74.2 113.0 12.8 8.3 0.9 6 6 A K T 4 S+ 0 0 104 41,-2.7 -1,-0.2 -2,-0.7 42,-0.1 0.689 89.6 52.0 -64.7 -21.1 12.6 10.2 -2.4 7 7 A I T 4 S+ 0 0 108 40,-0.3 -1,-0.2 3,-0.1 41,-0.1 0.928 128.4 6.9 -79.0 -49.8 10.3 12.7 -0.9 8 8 A C T 4 S- 0 0 53 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.477 92.4-113.1-118.7 -11.6 12.1 13.9 2.3 9 9 A G < + 0 0 43 -4,-2.4 -3,-0.1 1,-0.3 2,-0.0 0.432 58.6 152.1 87.7 -1.4 15.7 12.4 2.3 10 10 A Y - 0 0 50 -5,-0.1 -5,-3.0 -6,-0.1 2,-0.6 -0.376 39.1-137.4 -55.3 139.6 15.2 10.1 5.3 11 11 A I E -A 4 0A 69 -7,-0.2 2,-0.9 37,-0.0 -7,-0.2 -0.915 4.6-150.6-105.5 117.1 17.5 7.0 5.0 12 12 A Y E -A 3 0A 0 -9,-3.0 -9,-2.3 -2,-0.6 2,-0.7 -0.805 19.1-166.4 -82.0 110.3 16.1 3.7 5.9 13 13 A D E >> -A 2 0A 44 -2,-0.9 4,-2.0 4,-0.4 3,-1.6 -0.910 15.7-151.9-101.0 113.4 19.2 1.9 7.1 14 14 A E T 34 S+ 0 0 13 -13,-2.5 12,-3.0 -2,-0.7 13,-0.4 0.834 97.2 57.8 -55.9 -32.5 18.7 -1.9 7.4 15 15 A D T 34 S+ 0 0 131 -14,-0.3 -1,-0.3 1,-0.2 -13,-0.1 0.741 113.5 38.6 -67.2 -26.9 21.3 -2.0 10.1 16 16 A A T <4 S- 0 0 51 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.692 86.8-172.7 -91.4 -27.3 19.3 0.5 12.2 17 17 A G < - 0 0 3 -4,-2.0 -4,-0.4 10,-0.2 7,-0.2 -0.345 41.6 -87.5 58.1-148.8 15.8 -0.7 11.5 18 18 A D B > > +C 23 0B 12 5,-2.2 5,-1.9 -6,-0.1 3,-1.7 -0.462 51.0 170.6-155.2 66.5 13.1 1.6 12.9 19 19 A P G > 5S+ 0 0 81 0, 0.0 3,-1.6 0, 0.0 5,-0.1 0.818 73.2 63.4 -62.0 -31.3 12.5 0.5 16.5 20 20 A D G 3 5S+ 0 0 150 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.738 111.2 41.6 -63.5 -21.1 10.3 3.4 17.5 21 21 A N G < 5S- 0 0 95 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 -0.015 131.4 -87.2-117.7 27.0 7.8 2.2 14.8 22 22 A G T < 5S+ 0 0 69 -3,-1.6 2,-0.5 1,-0.2 -2,-0.1 0.649 88.0 121.8 89.2 16.8 8.1 -1.6 15.5 23 23 A I B < -C 18 0B 16 -5,-1.9 -5,-2.2 -7,-0.1 -1,-0.2 -0.933 50.5-143.4-122.0 115.2 11.1 -2.6 13.3 24 24 A S > - 0 0 75 -2,-0.5 3,-1.5 -7,-0.2 -7,-0.1 -0.357 36.1 -87.5 -72.4 152.0 14.1 -4.3 14.8 25 25 A P T 3 S+ 0 0 84 0, 0.0 -10,-0.2 0, 0.0 -9,-0.1 -0.324 114.2 39.0 -56.3 138.3 17.6 -3.5 13.6 26 26 A G T 3 S+ 0 0 52 -12,-3.0 2,-0.5 1,-0.3 -11,-0.2 0.270 77.0 139.8 100.6 -6.7 18.5 -5.9 10.7 27 27 A T < - 0 0 29 -3,-1.5 -1,-0.3 -13,-0.4 -10,-0.2 -0.578 50.4-130.0 -73.8 120.3 15.1 -5.8 9.0 28 28 A K >> - 0 0 127 -2,-0.5 3,-1.4 1,-0.1 4,-0.8 -0.361 17.3-116.7 -68.5 151.0 15.5 -5.7 5.2 29 29 A F G >4 S+ 0 0 13 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.910 116.0 56.1 -54.4 -43.0 13.5 -3.1 3.3 30 30 A E G 34 S+ 0 0 99 1,-0.3 -1,-0.3 4,-0.0 -3,-0.0 0.810 105.3 54.0 -59.5 -29.0 11.5 -5.8 1.5 31 31 A E G <4 S+ 0 0 142 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.550 78.7 110.0 -86.8 -9.9 10.5 -7.3 4.9 32 32 A L S << S- 0 0 2 -3,-1.4 -9,-0.0 -4,-0.8 13,-0.0 -0.425 87.5 -93.4 -58.8 138.8 9.0 -4.0 6.2 33 33 A P > - 0 0 64 0, 0.0 3,-2.3 0, 0.0 12,-0.1 -0.176 34.0-110.8 -54.9 151.9 5.3 -4.5 6.4 34 34 A D T 3 S+ 0 0 154 1,-0.3 11,-0.4 -3,-0.1 -2,-0.1 0.769 117.8 48.3 -56.9 -31.1 3.4 -3.3 3.3 35 35 A D T 3 S+ 0 0 137 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.257 80.0 121.7 -96.1 10.4 1.9 -0.4 5.3 36 36 A W < - 0 0 18 -3,-2.3 9,-0.6 1,-0.0 2,-0.3 -0.470 46.1-164.7 -65.5 144.1 5.1 0.8 6.9 37 37 A V B -D 44 0C 64 7,-0.2 6,-0.1 -2,-0.1 -2,-0.1 -0.898 32.3 -78.2-130.6 160.2 5.7 4.4 6.0 38 38 A C > - 0 0 2 5,-2.8 4,-1.8 -2,-0.3 5,-0.0 -0.354 39.5-140.4 -53.3 128.5 8.6 6.9 6.2 39 39 A P T 4 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.700 96.3 45.4 -72.8 -13.1 8.8 8.0 9.8 40 40 A I T 4 S+ 0 0 119 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.911 132.2 8.6 -88.5 -57.0 9.5 11.6 8.8 41 41 A C T 4 S- 0 0 59 2,-0.1 -3,-0.0 -31,-0.0 -1,-0.0 0.519 91.8-118.3-111.2 -10.0 7.1 12.4 6.0 42 42 A G < + 0 0 40 -4,-1.8 0, 0.0 1,-0.2 0, 0.0 0.533 54.0 159.2 83.5 8.5 4.6 9.4 5.9 43 43 A A - 0 0 9 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.355 40.9-113.5 -65.8 142.4 5.5 8.4 2.3 44 44 A P B > -D 37 0C 68 0, 0.0 3,-2.3 0, 0.0 -7,-0.2 -0.169 32.2 -96.5 -66.4 167.4 4.6 4.8 1.4 45 45 A K G > S+ 0 0 33 -9,-0.6 3,-1.9 -11,-0.4 -8,-0.1 0.808 118.9 71.6 -55.3 -31.9 7.2 2.1 0.6 46 46 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.690 89.9 61.5 -56.9 -23.5 6.7 2.8 -3.1 47 47 A E G < S+ 0 0 62 -3,-2.3 -41,-2.7 2,-0.0 2,-0.3 0.299 86.3 94.0 -93.1 10.8 8.5 6.2 -2.7 48 48 A F E < -B 5 0A 11 -3,-1.9 2,-0.4 -43,-0.2 -43,-0.2 -0.779 54.4-163.2-103.0 148.8 11.8 4.6 -1.5 49 49 A E E -B 4 0A 111 -45,-2.1 -45,-2.7 -2,-0.3 2,-0.2 -0.984 25.2-114.0-129.4 138.1 14.8 3.8 -3.8 50 50 A K E -B 3 0A 84 -2,-0.4 2,-1.8 -47,-0.2 -47,-0.3 -0.509 24.5-127.0 -72.4 135.2 17.7 1.5 -2.9 51 51 A L S S+ 0 0 90 -49,-3.0 2,-0.3 -2,-0.2 -49,-0.3 -0.562 74.8 93.1 -87.6 79.7 21.1 3.3 -2.6 52 52 A E 0 0 126 -2,-1.8 -2,-0.0 -51,-0.1 0, 0.0 -0.953 360.0 360.0-158.0 160.6 23.0 1.1 -5.0 53 53 A D 0 0 217 -2,-0.3 -3,-0.0 0, 0.0 -1,-0.0 -0.033 360.0 360.0 -74.9 360.0 23.9 1.2 -8.7