==== 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 1BQ9 . 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) . 3543.0 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 X 0 0 148 0, 0.0 2,-0.2 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 140.9 22.5 -4.7 5.4 2 2 A A - 0 0 19 51,-0.0 13,-2.7 11,-0.0 2,-0.4 -0.759 360.0-122.5-126.8 171.1 21.6 -1.9 3.1 3 3 A K E -A 14 0A 103 49,-0.3 49,-3.1 -2,-0.2 2,-0.4 -0.950 18.8-167.9-118.5 144.5 20.3 1.7 3.0 4 4 A W E -AB 13 51A 26 9,-2.4 9,-2.9 -2,-0.4 2,-0.4 -0.961 13.6-139.0-132.5 139.8 17.3 3.0 1.2 5 5 A V E -AB 12 50A 25 45,-2.8 45,-2.0 -2,-0.4 2,-0.7 -0.862 14.1-127.6-103.5 137.4 16.4 6.7 0.7 6 6 A C E > - B 0 49A 2 5,-2.8 4,-2.3 -2,-0.4 43,-0.2 -0.766 19.9-151.1 -75.4 112.3 12.9 8.2 0.9 7 7 A K T 4 S+ 0 0 119 41,-3.1 -1,-0.2 -2,-0.7 42,-0.1 0.711 89.9 51.9 -64.7 -18.0 12.7 10.0 -2.5 8 8 A I T 4 S+ 0 0 110 40,-0.3 -1,-0.2 1,-0.1 41,-0.1 0.944 127.6 7.8 -79.5 -53.9 10.4 12.6 -0.9 9 9 A C T 4 S- 0 0 54 2,-0.1 -2,-0.2 35,-0.0 -1,-0.1 0.554 92.2-112.6-114.2 -12.9 12.2 13.8 2.2 10 10 A G < + 0 0 44 -4,-2.3 -3,-0.1 1,-0.3 2,-0.0 0.434 58.9 151.7 91.9 -2.2 15.7 12.3 2.2 11 11 A Y - 0 0 53 -5,-0.1 -5,-2.8 -6,-0.1 2,-0.6 -0.376 39.3-138.4 -58.3 138.2 15.3 10.0 5.2 12 12 A I E -A 5 0A 67 -7,-0.2 2,-0.9 37,-0.0 -7,-0.2 -0.910 3.5-150.7-103.3 117.1 17.5 7.0 5.0 13 13 A Y E -A 4 0A 0 -9,-2.9 -9,-2.4 -2,-0.6 2,-0.7 -0.813 19.5-164.9 -80.0 105.8 16.0 3.7 6.0 14 14 A D E >> -A 3 0A 37 -2,-0.9 4,-2.0 4,-0.4 3,-1.4 -0.908 15.0-151.5 -98.1 114.9 19.2 2.0 7.3 15 15 A E T 34 S+ 0 0 3 -13,-2.7 12,-2.7 -2,-0.7 13,-0.4 0.840 97.4 58.2 -54.4 -34.6 18.6 -1.8 7.7 16 16 A D T 34 S+ 0 0 101 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.829 113.1 39.3 -62.5 -31.9 21.1 -1.9 10.4 17 17 A A T <4 S- 0 0 50 -3,-1.4 -2,-0.2 9,-0.2 -1,-0.2 0.742 86.0-172.7 -90.6 -25.0 19.1 0.7 12.4 18 18 A G < - 0 0 3 -4,-2.0 -4,-0.4 10,-0.2 7,-0.2 -0.352 41.1 -88.6 59.5-149.1 15.6 -0.5 11.7 19 19 A D B > > +C 24 0B 11 5,-2.2 5,-2.1 -6,-0.1 3,-1.7 -0.505 50.5 170.6-157.3 68.2 12.8 1.9 13.0 20 20 A P G > 5S+ 0 0 80 0, 0.0 3,-1.8 0, 0.0 5,-0.1 0.842 73.3 63.8 -61.2 -35.1 12.2 0.7 16.6 21 21 A D G 3 5S+ 0 0 150 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.764 110.5 41.2 -63.6 -17.2 9.9 3.6 17.5 22 22 A N G < 5S- 0 0 99 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 -0.019 131.6 -87.4-121.0 29.8 7.5 2.3 14.9 23 23 A G T < 5S+ 0 0 69 -3,-1.8 2,-0.5 1,-0.2 -2,-0.1 0.675 87.3 124.2 85.3 22.5 7.8 -1.4 15.6 24 24 A I B < -C 19 0B 13 -5,-2.1 -5,-2.2 -7,-0.1 -1,-0.2 -0.947 50.9-140.6-123.3 111.7 10.8 -2.4 13.5 25 25 A S > - 0 0 74 -2,-0.5 3,-1.5 -7,-0.2 -7,-0.1 -0.342 34.7 -91.2 -66.5 147.5 13.8 -4.1 15.0 26 26 A P T 3 S+ 0 0 84 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.284 114.0 38.4 -51.1 137.2 17.3 -3.2 13.9 27 27 A G T 3 S+ 0 0 28 -12,-2.7 2,-0.5 1,-0.3 -11,-0.2 0.357 76.5 141.5 90.0 14.9 18.3 -5.5 11.1 28 28 A T < - 0 0 27 -3,-1.5 -1,-0.3 -13,-0.4 -10,-0.2 -0.566 49.2-130.7 -91.1 125.3 15.0 -5.7 9.3 29 29 A K >> - 0 0 96 -2,-0.5 3,-1.4 1,-0.1 4,-0.6 -0.395 19.7-116.1 -69.2 152.9 15.5 -5.7 5.5 30 30 A F G >4 S+ 0 0 14 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.882 115.0 58.5 -57.4 -46.1 13.4 -3.2 3.6 31 31 A E G 34 S+ 0 0 107 1,-0.3 -1,-0.3 4,-0.0 -3,-0.0 0.802 104.5 53.4 -53.3 -31.3 11.5 -6.0 1.8 32 32 A E G <4 S+ 0 0 142 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.493 79.6 110.0 -87.7 -7.0 10.4 -7.3 5.2 33 33 A L S << S- 0 0 2 -3,-1.6 -9,-0.0 -4,-0.6 13,-0.0 -0.503 88.4 -91.4 -63.0 141.3 8.9 -4.0 6.4 34 34 A P > - 0 0 60 0, 0.0 3,-2.2 0, 0.0 12,-0.1 -0.182 34.6-113.6 -49.2 148.1 5.1 -4.4 6.6 35 35 A D T 3 S+ 0 0 154 1,-0.3 11,-0.4 -3,-0.1 -2,-0.1 0.790 117.8 49.6 -58.9 -28.2 3.4 -3.3 3.3 36 36 A D T 3 S+ 0 0 135 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.323 79.7 121.4 -97.1 6.1 1.9 -0.4 5.3 37 37 A W < - 0 0 15 -3,-2.2 9,-0.6 1,-0.0 2,-0.3 -0.456 46.3-163.3 -63.5 145.8 5.0 0.9 6.9 38 38 A V B -D 45 0C 65 7,-0.2 6,-0.1 -2,-0.1 -2,-0.1 -0.882 31.9 -79.2-129.9 160.7 5.7 4.5 6.0 39 39 A C > - 0 0 2 5,-2.9 4,-1.8 -2,-0.3 5,-0.0 -0.382 40.0-139.1 -55.2 128.0 8.6 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 0.577 96.6 43.9 -70.7 -9.7 8.8 8.0 9.8 41 41 A I T 4 S+ 0 0 118 3,-0.1 -2,-0.1 -30,-0.0 -3,-0.0 0.841 131.2 11.0 -94.7 -54.0 9.5 11.6 8.8 42 42 A C T 4 S- 0 0 56 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.541 91.5-117.6-109.2 -10.8 7.2 12.4 5.9 43 43 A G < + 0 0 40 -4,-1.8 0, 0.0 1,-0.2 0, 0.0 0.495 55.0 156.6 85.6 4.6 4.7 9.6 5.8 44 44 A A - 0 0 9 -6,-0.1 -5,-2.9 1,-0.1 -1,-0.2 -0.369 41.7-115.2 -67.1 141.6 5.6 8.3 2.3 45 45 A P B > -D 38 0C 69 0, 0.0 3,-2.3 0, 0.0 -7,-0.2 -0.126 32.7 -95.7 -65.8 166.6 4.7 4.7 1.5 46 46 A K G > S+ 0 0 31 -9,-0.6 3,-1.9 -11,-0.4 -8,-0.1 0.820 119.2 72.4 -53.6 -30.7 7.3 2.1 0.7 47 47 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.694 89.2 61.8 -57.6 -24.1 6.8 2.7 -3.0 48 48 A E G < S+ 0 0 77 -3,-2.3 -41,-3.1 2,-0.0 2,-0.3 0.278 86.2 95.2 -90.8 11.4 8.7 6.1 -2.6 49 49 A F E < -B 6 0A 12 -3,-1.9 2,-0.4 -43,-0.2 -43,-0.2 -0.749 53.1-164.7-104.4 147.6 12.0 4.5 -1.4 50 50 A E E -B 5 0A 104 -45,-2.0 -45,-2.8 -2,-0.3 2,-0.2 -0.990 25.3-115.3-132.1 134.7 15.0 3.6 -3.6 51 51 A K E -B 4 0A 72 -2,-0.4 2,-1.5 -47,-0.2 -47,-0.3 -0.500 23.6-126.5 -71.6 136.6 17.8 1.4 -2.6 52 52 A L S S+ 0 0 96 -49,-3.1 -49,-0.3 -2,-0.2 2,-0.3 -0.653 75.5 93.4 -90.8 83.2 21.2 3.1 -2.3 53 53 A E 0 0 127 -2,-1.5 -2,-0.0 -51,-0.1 -51,-0.0 -0.919 360.0 360.0-159.5 156.3 23.1 0.8 -4.6 54 54 A D 0 0 209 -2,-0.3 -3,-0.0 0, 0.0 -2,-0.0 -0.191 360.0 360.0 -78.8 360.0 24.0 0.8 -8.3