==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 18-MAY-04 1T9Q . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR I.Y.PARK,M.K.EIDSNESS,I.J.LIN,E.B.GEBEL,B.YOUN,J.L.HARLEY, . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 58.5 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 20.8 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 . 5 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 18.9 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 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 0 134 0, 0.0 2,-0.4 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 153.0 31.3 39.8 -10.9 2 2 A K - 0 0 55 13,-0.1 28,-0.4 12,-0.0 51,-0.1 -0.824 360.0-117.6-109.7 142.3 32.4 37.0 -8.6 3 3 A K - 0 0 91 -2,-0.4 49,-2.9 49,-0.2 2,-0.3 -0.407 30.7-155.6 -55.3 152.1 31.4 36.0 -5.1 4 4 A Y E -AB 13 51A 24 9,-1.7 9,-2.3 47,-0.3 2,-0.4 -0.956 4.7-151.4-123.7 148.9 34.3 36.2 -2.6 5 5 A T E -AB 12 50A 26 45,-2.7 45,-2.3 -2,-0.3 2,-0.6 -0.974 20.0-116.4-126.6 147.6 34.5 34.3 0.6 6 6 A C E >> - B 0 49A 1 5,-2.7 4,-2.7 -2,-0.4 3,-0.6 -0.600 20.4-157.8 -69.1 118.8 36.1 34.9 3.9 7 7 A T T 34 S+ 0 0 80 41,-3.2 -1,-0.2 -2,-0.6 42,-0.1 0.652 90.1 55.7 -85.2 -6.1 38.7 32.2 4.3 8 8 A V T 34 S+ 0 0 75 40,-0.4 -1,-0.3 3,-0.1 41,-0.1 0.724 128.5 4.5 -92.1 -20.1 38.6 32.6 8.0 9 9 A C T <4 S- 0 0 44 -3,-0.6 -2,-0.2 2,-0.1 3,-0.1 0.574 90.6-106.7-142.1 -9.9 34.9 32.0 8.5 10 10 A G < + 0 0 38 -4,-2.7 -3,-0.1 1,-0.3 0, 0.0 0.209 60.1 150.9 100.5 -24.5 32.8 31.1 5.5 11 11 A Y - 0 0 48 -6,-0.1 -5,-2.7 1,-0.1 2,-0.7 -0.187 35.2-149.5 -43.5 119.8 31.0 34.4 5.0 12 12 A I E -A 5 0A 90 -7,-0.2 2,-0.6 -3,-0.1 -7,-0.2 -0.849 2.2-149.9 -99.5 114.9 30.2 34.7 1.3 13 13 A Y E -A 4 0A 0 -9,-2.3 -9,-1.7 -2,-0.7 17,-0.1 -0.712 13.9-163.5 -71.6 120.4 30.2 38.2 -0.1 14 14 A N >> - 0 0 29 -2,-0.6 3,-1.3 4,-0.4 4,-0.8 -0.929 12.5-157.2-112.9 118.1 27.7 38.2 -3.0 15 15 A P T 34 S+ 0 0 5 0, 0.0 12,-2.9 0, 0.0 13,-0.3 0.726 92.2 62.6 -66.3 -23.1 28.0 41.2 -5.3 16 16 A E T 34 S+ 0 0 146 1,-0.2 13,-0.1 10,-0.2 -3,-0.0 0.826 115.7 30.3 -65.7 -36.1 24.4 40.7 -6.4 17 17 A D T <4 S- 0 0 97 -3,-1.3 -1,-0.2 1,-0.2 -4,-0.0 0.432 93.6-163.5-100.2 -8.2 23.2 41.4 -3.0 18 18 A G < - 0 0 6 -4,-0.8 -4,-0.4 1,-0.2 7,-0.2 -0.012 37.9 -86.7 35.8-156.1 25.9 43.7 -1.8 19 19 A D B > > +C 24 0B 16 5,-2.0 5,-2.2 6,-0.1 3,-1.5 -0.608 53.0 172.8-131.9 79.0 26.2 44.3 2.0 20 20 A P G > 5 + 0 0 75 0, 0.0 3,-1.2 0, 0.0 5,-0.1 0.760 68.6 65.8 -64.2 -27.0 23.7 47.2 2.5 21 21 A D G 3 5S+ 0 0 152 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.720 109.9 40.7 -69.2 -15.3 23.8 47.3 6.3 22 22 A N G < 5S- 0 0 92 -3,-1.5 -1,-0.3 2,-0.2 3,-0.1 0.171 128.0 -90.8-120.4 15.6 27.4 48.4 6.1 23 23 A G T < 5S+ 0 0 59 -3,-1.2 2,-0.8 1,-0.2 -2,-0.1 0.507 87.5 122.6 99.9 0.5 27.2 50.8 3.2 24 24 A V B < -C 19 0B 6 -5,-2.2 -5,-2.0 9,-0.1 -1,-0.2 -0.847 51.0-150.1-103.9 107.8 27.9 48.5 0.3 25 25 A N > - 0 0 108 -2,-0.8 3,-1.4 -7,-0.2 -7,-0.2 -0.164 30.8 -78.3 -76.6 166.0 25.0 48.6 -2.1 26 26 A P T 3 S+ 0 0 89 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.382 117.1 33.6 -53.2 135.0 23.8 45.8 -4.4 27 27 A G T 3 S+ 0 0 42 -12,-2.9 2,-1.0 1,-0.2 -11,-0.2 0.382 79.7 141.9 100.0 -6.8 26.0 45.5 -7.6 28 28 A T < - 0 0 32 -3,-1.4 -1,-0.2 -13,-0.3 5,-0.1 -0.616 49.2-135.0 -77.6 102.4 29.3 46.4 -5.9 29 29 A D >> - 0 0 20 -2,-1.0 3,-2.0 1,-0.1 4,-0.8 -0.243 23.8-117.7 -37.0 133.8 32.2 44.4 -7.1 30 30 A F G >4 S+ 0 0 14 -28,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.862 116.1 59.0 -52.9 -33.0 34.2 43.3 -4.1 31 31 A K G 34 S+ 0 0 145 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.661 102.3 54.5 -77.8 -10.4 37.2 45.2 -5.5 32 32 A D G <4 S+ 0 0 100 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.613 84.6 106.2 -97.4 -15.8 35.1 48.4 -5.4 33 33 A I S << S- 0 0 3 -3,-0.9 2,-0.1 -4,-0.8 -9,-0.1 -0.392 87.5 -93.7 -62.1 133.7 34.2 47.9 -1.7 34 34 A P > - 0 0 72 0, 0.0 3,-3.3 0, 0.0 12,-0.1 -0.330 31.0-127.5 -49.8 130.1 36.1 50.3 0.7 35 35 A D T 3 S+ 0 0 132 1,-0.3 11,-0.3 -4,-0.1 12,-0.1 0.405 107.0 61.2 -73.5 0.7 39.2 48.7 2.0 36 36 A D T 3 S+ 0 0 139 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.362 76.7 113.0-104.2 -2.1 38.1 49.4 5.5 37 37 A W < - 0 0 12 -3,-3.3 9,-0.7 1,-0.0 2,-0.3 -0.477 56.3-150.3 -62.5 139.3 35.0 47.3 5.2 38 38 A V B -D 45 0C 64 7,-0.2 7,-0.3 -2,-0.1 -2,-0.1 -0.833 28.0 -86.6-114.3 153.6 35.1 44.1 7.5 39 39 A C > - 0 0 1 5,-3.9 4,-2.1 -2,-0.3 5,-0.1 -0.390 37.2-138.9 -52.4 123.5 33.6 40.7 7.2 40 40 A P T 4 S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.785 98.5 44.6 -64.4 -25.3 30.1 41.2 8.8 41 41 A L T 4 S+ 0 0 119 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.916 129.2 16.4 -87.8 -52.3 30.5 37.8 10.5 42 42 A C T 4 S- 0 0 50 2,-0.1 3,-0.1 1,-0.0 -1,-0.0 0.761 90.3-127.0-101.5 -10.3 34.0 37.8 11.9 43 43 A G < + 0 0 46 -4,-2.1 2,-0.2 1,-0.3 -1,-0.0 0.627 65.3 128.4 84.1 9.5 35.0 41.5 11.8 44 44 A L - 0 0 78 1,-0.1 -5,-3.9 -5,-0.1 -1,-0.3 -0.547 56.6-102.7 -88.3 165.5 38.2 40.9 9.8 45 45 A G B > -D 38 0C 29 -7,-0.3 3,-2.1 -2,-0.2 4,-0.2 -0.134 34.9 -84.1 -98.8-173.8 39.0 42.8 6.7 46 46 A K G > S+ 0 0 18 -9,-0.7 3,-1.7 1,-0.3 -1,-0.1 0.702 113.0 74.5 -60.2 -18.7 39.0 42.3 3.0 47 47 A D G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -12,-0.1 -12,-0.0 0.646 87.4 59.1 -84.1 -9.8 42.4 40.6 2.9 48 48 A Q G < S+ 0 0 83 -3,-2.1 -41,-3.2 2,-0.0 -40,-0.4 0.394 93.0 96.6 -88.8 4.6 41.1 37.3 4.4 49 49 A F E < -B 6 0A 21 -3,-1.7 2,-0.4 -43,-0.3 -43,-0.2 -0.624 53.8-169.7 -89.0 146.9 38.8 37.1 1.4 50 50 A E E -B 5 0A 111 -45,-2.3 -45,-2.7 -2,-0.3 -2,-0.0 -0.996 31.2 -97.5-131.1 146.6 39.4 35.1 -1.8 51 51 A E E -B 4 0A 86 -2,-0.4 2,-0.4 -47,-0.2 -47,-0.3 -0.228 36.8-133.9 -44.8 135.1 37.6 35.0 -5.1 52 52 A V 0 0 52 -49,-2.9 -49,-0.2 0, 0.0 -1,-0.1 -0.820 360.0 360.0 -96.1 141.7 35.1 32.2 -5.6 53 53 A E 0 0 189 -2,-0.4 -51,-0.0 -51,-0.1 -49,-0.0 -0.974 360.0 360.0-124.5 360.0 35.0 30.1 -8.8