==== 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 METAL BINDING PROTEIN 22-AUG-98 1BQ8 . 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, . 54 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3481.0 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 . 4 7.4 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 M 0 0 96 0, 0.0 15,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 178.5 23.0 -4.1 4.8 2 2 A A - 0 0 23 12,-0.1 13,-2.6 13,-0.1 2,-0.4 -0.292 360.0-146.8 -80.8 158.8 21.2 -1.8 2.3 3 3 A K E -A 14 0A 71 11,-0.2 49,-3.1 49,-0.2 2,-0.4 -0.961 11.5-166.4-120.9 144.8 20.1 1.8 2.6 4 4 A W E -AB 13 51A 24 9,-2.4 9,-2.7 -2,-0.4 2,-0.4 -0.968 11.5-138.8-130.6 141.4 17.0 3.2 0.9 5 5 A V E -AB 12 50A 29 45,-2.6 45,-2.2 -2,-0.4 2,-0.7 -0.877 15.4-128.2-102.6 141.6 16.0 6.9 0.5 6 6 A C E > - B 0 49A 1 5,-3.0 4,-2.3 -2,-0.4 43,-0.2 -0.716 20.7-152.0 -77.5 111.2 12.5 8.3 0.9 7 7 A K T 4 S+ 0 0 115 41,-2.8 -1,-0.2 -2,-0.7 42,-0.1 0.735 89.6 52.6 -64.5 -20.0 12.3 10.2 -2.4 8 8 A I T 4 S+ 0 0 107 40,-0.3 -1,-0.2 1,-0.1 41,-0.1 0.942 128.5 6.6 -78.3 -50.2 9.9 12.7 -0.8 9 9 A C T 4 S- 0 0 54 2,-0.1 -2,-0.2 35,-0.0 -1,-0.1 0.515 91.8-113.2-119.3 -9.7 11.8 13.9 2.3 10 10 A G < + 0 0 43 -4,-2.3 -3,-0.1 1,-0.3 2,-0.0 0.410 59.0 150.6 88.4 -2.1 15.3 12.4 2.2 11 11 A Y - 0 0 50 -6,-0.1 -5,-3.0 -5,-0.1 2,-0.6 -0.369 40.8-135.2 -58.3 139.0 14.9 10.1 5.3 12 12 A I E -A 5 0A 76 -7,-0.2 2,-0.9 37,-0.1 -7,-0.2 -0.923 6.1-152.2-100.6 120.8 17.2 7.1 5.0 13 13 A Y E -A 4 0A 0 -9,-2.7 -9,-2.4 -2,-0.6 2,-0.7 -0.821 20.1-167.6 -86.5 105.4 15.8 3.7 5.8 14 14 A D E >> -A 3 0A 49 -2,-0.9 4,-1.9 4,-0.4 3,-1.6 -0.898 15.6-151.7 -98.5 111.6 19.0 2.0 6.9 15 15 A E T 34 S+ 0 0 7 -13,-2.6 12,-2.4 -2,-0.7 13,-0.4 0.829 96.6 57.0 -54.9 -33.5 18.4 -1.8 7.1 16 16 A D T 34 S+ 0 0 81 -14,-0.4 -1,-0.3 1,-0.2 -13,-0.1 0.759 113.5 39.9 -67.6 -28.4 21.2 -2.0 9.8 17 17 A A T <4 S- 0 0 49 -3,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.697 87.7-172.5 -88.7 -27.2 19.3 0.6 11.9 18 18 A G < - 0 0 3 -4,-1.9 -4,-0.4 10,-0.2 7,-0.2 -0.323 40.4 -88.1 58.3-147.6 15.8 -0.6 11.4 19 19 A D B > > +C 24 0B 12 5,-2.0 5,-1.9 -4,-0.1 3,-1.9 -0.436 51.0 169.4-157.2 65.7 13.1 1.6 12.8 20 20 A P G > 5S+ 0 0 79 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.821 72.9 63.4 -62.3 -31.7 12.6 0.5 16.4 21 21 A D G 3 5S+ 0 0 151 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.714 111.0 41.2 -63.5 -20.3 10.4 3.5 17.5 22 22 A N G < 5S- 0 0 95 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 -0.003 131.5 -86.3-118.3 24.9 7.9 2.3 14.9 23 23 A G T < 5S+ 0 0 69 -3,-1.7 2,-0.5 1,-0.2 -2,-0.1 0.622 88.5 120.8 87.1 20.6 8.1 -1.5 15.5 24 24 A I B < -C 19 0B 15 -5,-1.9 -5,-2.0 -7,-0.1 -1,-0.2 -0.936 52.2-139.9-123.6 116.1 11.0 -2.5 13.3 25 25 A S > - 0 0 76 -2,-0.5 3,-1.2 -7,-0.2 -7,-0.1 -0.371 35.2 -89.8 -70.9 148.5 14.1 -4.2 14.7 26 26 A P T 3 S+ 0 0 85 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.284 113.3 38.0 -53.0 137.0 17.6 -3.4 13.5 27 27 A G T 3 S+ 0 0 36 -12,-2.4 2,-0.6 1,-0.3 -11,-0.2 0.464 78.0 141.3 95.2 8.5 18.5 -5.6 10.6 28 28 A T < - 0 0 29 -3,-1.2 -1,-0.3 -13,-0.4 -10,-0.2 -0.663 49.9-128.3 -86.1 122.5 15.1 -5.8 8.9 29 29 A K >> - 0 0 121 -2,-0.6 3,-1.5 1,-0.1 4,-0.6 -0.368 19.3-117.8 -63.8 148.1 15.3 -5.7 5.1 30 30 A F G >4 S+ 0 0 15 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.871 114.0 60.4 -54.9 -41.6 13.1 -3.1 3.4 31 31 A E G 34 S+ 0 0 99 1,-0.3 -1,-0.3 4,-0.0 -2,-0.0 0.804 102.7 53.4 -51.7 -36.0 11.1 -5.9 1.7 32 32 A E G <4 S+ 0 0 143 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.502 78.0 110.5 -84.5 -8.0 10.1 -7.2 5.0 33 33 A L S << S- 0 0 2 -3,-1.5 -9,-0.0 -4,-0.6 13,-0.0 -0.482 87.6 -91.3 -60.5 141.5 8.7 -4.0 6.4 34 34 A P > - 0 0 62 0, 0.0 3,-2.3 0, 0.0 12,-0.1 -0.135 34.5-112.1 -52.6 149.1 4.9 -4.4 6.6 35 35 A D T 3 S+ 0 0 157 1,-0.3 11,-0.4 -3,-0.1 -2,-0.1 0.784 118.6 48.6 -53.1 -34.6 3.1 -3.3 3.6 36 36 A D T 3 S+ 0 0 137 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.263 80.3 123.5 -93.2 7.7 1.6 -0.4 5.5 37 37 A W < - 0 0 17 -3,-2.3 9,-0.6 1,-0.0 2,-0.3 -0.439 45.1-164.0 -64.8 142.0 4.9 0.8 7.0 38 38 A V B -D 45 0C 65 7,-0.2 6,-0.1 -2,-0.1 -2,-0.1 -0.921 32.4 -79.9-127.8 160.9 5.5 4.4 6.2 39 39 A C > - 0 0 2 5,-2.8 4,-1.9 -2,-0.3 5,-0.0 -0.346 40.1-140.3 -53.0 127.5 8.4 6.9 6.2 40 40 A P T 4 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.645 96.6 44.6 -72.3 -12.8 8.6 8.0 9.9 41 41 A I T 4 S+ 0 0 121 3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.892 131.8 9.5 -93.6 -53.6 9.3 11.5 8.9 42 42 A C T 4 S- 0 0 58 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.514 91.7-119.1-109.9 -10.6 6.8 12.4 6.1 43 43 A G < + 0 0 42 -4,-1.9 0, 0.0 1,-0.2 0, 0.0 0.515 53.7 158.8 82.0 9.2 4.4 9.4 6.0 44 44 A A - 0 0 9 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.327 41.5-112.6 -64.3 143.8 5.2 8.3 2.5 45 45 A P B > -D 38 0C 68 0, 0.0 3,-2.2 0, 0.0 -7,-0.2 -0.187 33.2 -96.0 -69.5 169.0 4.3 4.8 1.6 46 46 A K G > S+ 0 0 32 -9,-0.6 3,-1.9 -11,-0.4 -8,-0.1 0.795 119.0 71.7 -55.0 -33.5 6.9 2.1 0.8 47 47 A S G 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.706 88.7 62.9 -53.7 -28.7 6.4 2.8 -2.9 48 48 A E G < S+ 0 0 61 -3,-2.2 -41,-2.8 2,-0.0 2,-0.3 0.336 84.6 95.4 -88.1 7.2 8.2 6.2 -2.5 49 49 A F E < -B 6 0A 14 -3,-1.9 2,-0.4 -43,-0.2 -43,-0.2 -0.734 55.8-159.9 -99.3 145.0 11.5 4.6 -1.4 50 50 A E E -B 5 0A 106 -45,-2.2 -45,-2.6 -2,-0.3 2,-0.3 -0.985 23.3-117.7-123.8 133.4 14.5 3.9 -3.7 51 51 A K E -B 4 0A 71 -2,-0.4 2,-1.8 -47,-0.2 -47,-0.3 -0.522 24.7-128.7 -70.7 130.5 17.3 1.5 -3.0 52 52 A L S S+ 0 0 87 -49,-3.1 2,-0.3 -2,-0.3 -49,-0.2 -0.528 72.1 91.0 -88.4 79.4 20.7 3.2 -2.8 53 53 A E 0 0 126 -2,-1.8 -2,-0.0 -51,-0.1 -51,-0.0 -0.970 360.0 360.0-158.9 157.2 22.7 1.1 -5.2 54 54 A D 0 0 216 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.652 360.0 360.0 -70.7 360.0 23.5 0.9 -8.8