==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 07-JUL-06 2DSX . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO GIGAS; . AUTHOR C.-J.CHEN,Y.-H.LIN,Y.-C.HUANG,M.-Y.LIU . 52 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 53.8 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 . 11 21.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 5.8 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 . 4 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 17.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 5.8 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 1 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 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 0 138 0, 0.0 15,-0.2 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 25.8 -2.7 -13.9 -3.0 2 2 A D - 0 0 101 12,-0.1 28,-0.4 1,-0.1 2,-0.3 -0.254 360.0-136.5 -59.8 128.2 -4.4 -10.4 -2.5 3 3 A I - 0 0 47 49,-0.1 49,-3.0 11,-0.1 2,-0.3 -0.680 17.4-161.9 -88.1 137.4 -1.8 -7.9 -1.3 4 4 A Y E -AB 13 51A 49 9,-2.0 9,-2.6 -2,-0.3 2,-0.4 -0.864 4.0-148.9-117.0 151.7 -2.7 -5.6 1.6 5 5 A V E -AB 12 50A 25 45,-3.0 45,-2.2 -2,-0.3 2,-0.5 -0.970 19.6-118.1-127.5 137.7 -0.9 -2.3 2.5 6 6 A C E > - B 0 49A 2 5,-3.0 4,-2.0 -2,-0.4 43,-0.2 -0.587 16.7-154.7 -71.0 119.6 -0.5 -0.7 5.9 7 7 A T T 4 S+ 0 0 85 41,-2.4 -1,-0.2 -2,-0.5 42,-0.1 0.660 91.3 54.6 -70.6 -14.9 -2.3 2.7 5.7 8 8 A V T 4 S- 0 0 97 40,-0.2 -1,-0.2 3,-0.1 41,-0.0 0.925 131.9 -1.3 -83.1 -50.9 0.1 4.0 8.5 9 9 A C T 4 S- 0 0 59 2,-0.1 -2,-0.2 35,-0.0 -1,-0.0 0.547 91.6-112.6-123.4 -10.7 3.5 3.2 7.0 10 10 A G < + 0 0 40 -4,-2.0 -3,-0.1 1,-0.3 39,-0.0 0.395 56.7 154.7 90.2 -0.5 3.1 1.6 3.6 11 11 A Y - 0 0 53 -6,-0.1 -5,-3.0 1,-0.1 2,-0.6 -0.310 38.5-132.9 -56.2 141.3 4.4 -1.9 4.5 12 12 A E E -A 5 0A 97 -7,-0.2 2,-0.8 37,-0.1 -7,-0.2 -0.854 4.4-146.8-104.2 122.8 2.9 -4.5 2.2 13 13 A Y E -A 4 0A 0 -9,-2.6 -9,-2.0 -2,-0.6 17,-0.1 -0.817 20.6-169.8 -81.4 114.4 1.5 -7.7 3.5 14 14 A D >> - 0 0 44 -2,-0.8 4,-2.0 4,-0.4 3,-1.9 -0.934 15.8-155.9-110.6 107.3 2.3 -10.2 0.8 15 15 A P T 34 S+ 0 0 0 0, 0.0 12,-2.7 0, 0.0 13,-0.4 0.791 93.3 64.0 -57.3 -27.4 0.6 -13.6 1.3 16 16 A A T 34 S+ 0 0 46 -15,-0.2 13,-0.1 1,-0.2 -13,-0.0 0.792 114.3 33.2 -65.1 -26.4 3.2 -15.3 -0.8 17 17 A K T <4 S- 0 0 141 -3,-1.9 -1,-0.2 1,-0.2 7,-0.1 0.704 89.8-171.1 -93.2 -30.3 5.8 -14.3 1.8 18 18 A G < - 0 0 5 -4,-2.0 -4,-0.4 10,-0.2 7,-0.2 -0.369 38.7 -87.0 63.5-149.6 3.7 -14.5 5.0 19 19 A D B > > -C 24 0B 15 5,-2.3 3,-2.2 -4,-0.1 5,-1.8 -0.507 40.6-176.7-157.2 77.8 5.3 -13.1 8.1 20 20 A P G > 5S+ 0 0 90 0, 0.0 3,-2.3 0, 0.0 5,-0.1 0.822 79.0 65.4 -54.1 -35.0 7.4 -15.8 9.8 21 21 A D G 3 5S+ 0 0 158 1,-0.3 0, 0.0 2,-0.1 0, 0.0 0.724 106.8 44.3 -63.3 -19.4 8.4 -13.6 12.8 22 22 A S G < 5S- 0 0 63 -3,-2.2 -1,-0.3 2,-0.2 3,-0.1 0.125 127.1 -97.9-105.1 16.4 4.8 -13.5 13.8 23 23 A G T < 5S+ 0 0 69 -3,-2.3 2,-0.6 1,-0.2 -2,-0.1 0.804 80.5 138.8 75.1 28.5 4.2 -17.2 13.3 24 24 A I B < -C 19 0B 12 -5,-1.8 -5,-2.3 -7,-0.1 -1,-0.2 -0.910 41.9-148.3-115.1 106.0 2.7 -16.6 9.8 25 25 A K > - 0 0 165 -2,-0.6 3,-1.5 -7,-0.2 -7,-0.1 -0.318 33.7 -83.9 -71.3 153.0 3.8 -19.2 7.2 26 26 A P T 3 S+ 0 0 86 0, 0.0 -10,-0.2 0, 0.0 -1,-0.2 -0.227 115.1 37.3 -55.1 140.3 4.2 -18.3 3.6 27 27 A G T 3 S+ 0 0 42 -12,-2.7 2,-0.5 1,-0.3 -11,-0.2 0.314 77.0 141.2 96.1 -2.0 0.9 -18.6 1.7 28 28 A T < - 0 0 34 -3,-1.5 -1,-0.3 -13,-0.4 -10,-0.2 -0.529 49.2-131.4 -75.7 118.4 -1.3 -17.3 4.5 29 29 A K > - 0 0 102 -2,-0.5 3,-1.7 1,-0.1 4,-0.4 -0.357 20.3-113.9 -64.6 150.8 -4.1 -15.0 3.1 30 30 A F G > S+ 0 0 20 -28,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.884 117.2 56.0 -51.7 -42.2 -4.6 -11.6 4.8 31 31 A E G 3 S+ 0 0 99 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.704 101.7 58.7 -76.0 -10.1 -8.0 -12.6 6.1 32 32 A D G < S+ 0 0 111 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.439 80.8 107.4 -90.0 2.3 -6.4 -15.7 7.9 33 33 A L S < S- 0 0 5 -3,-1.8 -9,-0.0 -4,-0.4 -3,-0.0 -0.589 82.5-109.9 -69.3 138.0 -4.0 -13.4 9.8 34 34 A P > - 0 0 59 0, 0.0 3,-2.1 0, 0.0 12,-0.1 -0.322 24.2-116.1 -61.5 152.8 -5.2 -13.3 13.5 35 35 A D T 3 S+ 0 0 100 1,-0.3 11,-0.4 11,-0.1 12,-0.3 0.694 114.4 63.3 -68.2 -15.6 -6.6 -9.9 14.5 36 36 A D T 3 S+ 0 0 142 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.463 76.9 116.5 -86.4 3.4 -3.7 -9.5 16.9 37 37 A W < - 0 0 7 -3,-2.1 9,-1.8 8,-0.0 2,-0.3 -0.424 50.2-161.6 -67.3 143.0 -1.3 -9.4 14.1 38 38 A A B -D 45 0C 37 7,-0.2 7,-0.2 8,-0.1 6,-0.1 -0.926 29.4 -87.5-128.6 154.3 0.6 -6.1 13.7 39 39 A C > - 0 0 4 5,-3.0 4,-1.9 -2,-0.3 7,-0.0 -0.367 33.8-141.5 -56.4 127.8 2.5 -4.4 11.0 40 40 A P T 4 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.783 96.2 43.0 -63.5 -28.9 6.2 -5.6 11.3 41 41 A V T 4 S+ 0 0 106 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.926 132.5 10.6 -83.4 -50.2 7.5 -2.1 10.4 42 42 A C T 4 S- 0 0 55 2,-0.1 -1,-0.1 -31,-0.0 -3,-0.0 0.577 90.1-121.0-113.5 -13.3 5.4 0.3 12.4 43 43 A G < + 0 0 50 -4,-1.9 0, 0.0 1,-0.2 0, 0.0 0.381 56.4 150.4 86.0 -0.7 3.3 -1.8 14.8 44 44 A A - 0 0 21 -6,-0.1 -5,-3.0 1,-0.1 -1,-0.2 -0.214 52.4 -92.7 -62.8 154.4 -0.1 -0.7 13.6 45 45 A S B > -D 38 0C 57 -7,-0.2 3,-2.4 1,-0.1 -7,-0.2 -0.262 29.1-111.2 -62.3 153.2 -3.0 -3.1 13.9 46 46 A K G > S+ 0 0 19 -9,-1.8 3,-1.9 -11,-0.4 -1,-0.1 0.826 117.7 65.6 -46.0 -39.5 -4.0 -5.6 11.1 47 47 A D G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -12,-0.3 -2,-0.1 0.505 86.1 69.0 -77.5 3.1 -7.2 -3.5 10.8 48 48 A A G < S+ 0 0 21 -3,-2.4 -41,-2.4 2,-0.0 -1,-0.3 0.374 84.7 98.2 -86.8 -2.5 -5.1 -0.5 9.6 49 49 A F E < -B 6 0A 18 -3,-1.9 2,-0.3 -43,-0.2 -43,-0.2 -0.618 52.9-172.4 -89.3 151.9 -4.4 -2.4 6.4 50 50 A E E -B 5 0A 110 -45,-2.2 -45,-3.0 -2,-0.2 2,-0.1 -0.939 37.9 -85.5-133.8 158.7 -6.3 -2.0 3.1 51 51 A K E B 4 0A 146 -2,-0.3 -47,-0.3 -47,-0.2 -49,-0.0 -0.439 360.0 360.0 -64.3 134.1 -6.3 -4.0 -0.2 52 52 A Q 0 0 138 -49,-3.0 -49,-0.1 -2,-0.1 -1,-0.1 -0.441 360.0 360.0 -63.8 360.0 -3.4 -2.7 -2.5