==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-SEP-03 1R0I . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR M.MAHER,M.CROSS,M.C.J.WILCE,J.M.GUSS,A.G.WEDD . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3572.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 32 60.4 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 . 6 11.3 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 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 0 135 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 142.8 19.5 27.4 6.6 2 2 A K - 0 0 117 12,-0.1 28,-0.4 13,-0.1 2,-0.2 -0.482 360.0-123.8 -84.3 146.0 16.3 27.3 8.6 3 3 A K - 0 0 103 49,-0.4 49,-2.8 -2,-0.2 2,-0.4 -0.543 24.4-151.9 -75.7 151.5 15.8 28.6 12.1 4 4 A Y E -AB 13 51A 39 9,-1.8 9,-3.1 47,-0.2 2,-0.4 -0.967 4.3-149.1-125.2 145.3 14.5 26.2 14.8 5 5 A T E -AB 12 50A 36 45,-2.7 45,-2.1 -2,-0.4 2,-0.6 -0.926 18.1-122.8-119.0 140.5 12.5 27.0 17.9 6 6 A C E > - B 0 49A 1 5,-2.8 4,-1.7 -2,-0.4 43,-0.2 -0.709 19.8-156.5 -72.1 119.7 12.4 25.4 21.3 7 7 A T T 4 S+ 0 0 71 41,-2.4 -1,-0.1 -2,-0.6 42,-0.1 0.494 87.7 56.0 -83.4 -1.7 8.7 24.4 21.7 8 8 A V T 4 S+ 0 0 88 40,-0.1 -1,-0.2 3,-0.1 41,-0.0 0.900 129.1 4.0 -89.2 -53.3 9.1 24.5 25.4 9 9 A C T 4 S- 0 0 64 2,-0.1 -2,-0.2 0, 0.0 -4,-0.0 0.640 94.9-113.1-111.1 -19.8 10.4 28.0 26.1 10 10 A G < + 0 0 42 -4,-1.7 -3,-0.1 1,-0.3 0, 0.0 0.373 56.0 156.3 102.2 -2.9 10.4 29.8 22.7 11 11 A Y - 0 0 41 -6,-0.1 -5,-2.8 1,-0.1 2,-0.5 -0.249 34.2-139.5 -52.7 141.3 14.2 30.2 22.2 12 12 A I E -A 5 0A 76 -7,-0.2 2,-0.7 -9,-0.0 -7,-0.2 -0.937 3.8-149.3-112.4 120.3 15.2 30.5 18.6 13 13 A Y E -A 4 0A 0 -9,-3.1 -9,-1.8 -2,-0.5 17,-0.1 -0.809 15.1-167.8 -82.3 119.9 18.2 28.8 17.2 14 14 A N >> - 0 0 32 -2,-0.7 4,-2.0 4,-0.4 3,-1.5 -0.950 14.0-152.8-111.0 113.2 19.6 31.0 14.4 15 15 A P T 34 S+ 0 0 2 0, 0.0 12,-3.4 0, 0.0 13,-0.6 0.762 93.4 62.9 -62.4 -23.9 22.2 29.2 12.3 16 16 A E T 34 S+ 0 0 156 10,-0.2 13,-0.0 1,-0.2 -3,-0.0 0.788 115.4 31.9 -65.8 -29.6 23.9 32.5 11.3 17 17 A D T <4 S- 0 0 104 -3,-1.5 -1,-0.2 1,-0.2 -4,-0.0 0.697 91.7-172.1 -95.7 -27.9 24.6 33.2 15.0 18 18 A G < - 0 0 7 -4,-2.0 -4,-0.4 1,-0.2 7,-0.2 -0.260 42.0 -86.7 63.2-154.8 25.1 29.6 16.2 19 19 A D B > > +C 24 0B 16 5,-2.5 5,-2.0 -4,-0.1 3,-1.7 -0.534 55.3 170.5-144.5 67.1 25.6 29.0 19.9 20 20 A P G > 5 + 0 0 70 0, 0.0 3,-1.8 0, 0.0 5,-0.1 0.769 68.2 63.6 -61.6 -30.4 29.3 29.6 20.2 21 21 A D G 3 5S+ 0 0 155 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.718 109.4 43.7 -67.1 -19.6 29.6 29.6 24.0 22 22 A N G < 5S- 0 0 100 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.070 129.7 -95.2-111.2 21.7 28.4 26.0 23.9 23 23 A G T < 5S+ 0 0 57 -3,-1.8 2,-0.7 1,-0.2 -2,-0.1 0.589 85.5 126.7 81.9 13.5 30.6 25.0 21.0 24 24 A V B < -C 19 0B 4 -5,-2.0 -5,-2.5 9,-0.1 -1,-0.2 -0.887 50.5-147.5-104.0 106.2 28.2 25.5 18.1 25 25 A N > - 0 0 104 -2,-0.7 3,-1.3 -7,-0.2 -7,-0.2 -0.342 27.2 -87.4 -75.5 152.6 29.8 27.7 15.6 26 26 A P T 3 S+ 0 0 83 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.273 115.6 37.4 -49.7 140.5 28.0 30.3 13.4 27 27 A G T 3 S+ 0 0 45 -12,-3.4 2,-0.6 1,-0.3 -11,-0.2 0.509 80.9 138.9 89.9 6.3 26.9 28.5 10.2 28 28 A T < - 0 0 34 -3,-1.3 -1,-0.3 -13,-0.6 -10,-0.1 -0.766 50.0-134.0 -90.2 121.4 26.0 25.2 11.8 29 29 A D >> - 0 0 50 -2,-0.6 3,-1.1 1,-0.1 4,-0.6 -0.421 23.2-116.9 -66.6 144.4 22.8 23.7 10.6 30 30 A F G >4 S+ 0 0 14 -28,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.872 113.6 57.6 -52.9 -40.9 20.5 22.4 13.4 31 31 A K G 34 S+ 0 0 148 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.821 105.2 51.9 -61.8 -30.7 20.8 18.8 12.3 32 32 A D G <4 S+ 0 0 91 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.504 80.0 111.0 -87.4 -7.6 24.6 18.9 12.6 33 33 A I S << S- 0 0 2 -3,-1.3 -9,-0.1 -4,-0.6 4,-0.1 -0.508 89.2 -93.7 -61.1 131.9 24.6 20.3 16.2 34 34 A P > - 0 0 75 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.222 34.7-122.8 -50.4 138.9 25.9 17.5 18.4 35 35 A D T 3 S+ 0 0 137 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.443 106.6 63.2 -77.6 1.1 22.9 15.5 19.7 36 36 A D T 3 S+ 0 0 139 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.381 77.9 116.4 -97.9 1.5 23.8 16.1 23.4 37 37 A W < - 0 0 18 -3,-2.1 9,-0.7 -4,-0.1 2,-0.3 -0.371 49.3-161.1 -65.5 144.6 23.3 19.8 23.0 38 38 A V B -D 45 0C 71 7,-0.2 7,-0.2 8,-0.1 6,-0.1 -0.886 34.0 -77.2-126.5 160.5 20.5 21.4 25.0 39 39 A C > - 0 0 2 5,-2.9 4,-1.6 -2,-0.3 7,-0.0 -0.342 37.8-139.3 -56.3 127.5 18.6 24.7 24.8 40 40 A P T 4 S+ 0 0 48 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.662 97.6 41.2 -67.0 -15.3 20.8 27.4 26.2 41 41 A L T 4 S+ 0 0 131 3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.883 133.0 11.0 -96.6 -49.0 17.8 29.1 28.0 42 42 A C T 4 S- 0 0 54 2,-0.1 -3,-0.0 -31,-0.0 0, 0.0 0.536 90.8-125.1-113.9 -12.4 15.7 26.2 29.5 43 43 A G < + 0 0 41 -4,-1.6 2,-0.1 1,-0.2 0, 0.0 0.477 56.2 141.7 86.1 4.5 18.0 23.1 29.1 44 44 A V - 0 0 40 1,-0.1 -5,-2.9 -6,-0.1 -1,-0.2 -0.383 52.0 -99.3 -77.0 160.0 15.6 20.8 27.2 45 45 A G B > -D 38 0C 27 -7,-0.2 3,-1.8 1,-0.1 -7,-0.2 -0.147 32.1 -97.0 -76.8 172.0 17.0 18.5 24.5 46 46 A K G > S+ 0 0 27 -9,-0.7 3,-2.0 -11,-0.3 -1,-0.1 0.762 113.5 74.5 -56.1 -29.4 17.0 18.8 20.7 47 47 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -41,-0.0 -2,-0.0 0.580 89.5 58.5 -67.4 -9.0 13.9 16.6 20.4 48 48 A Q G < S+ 0 0 77 -3,-1.8 -41,-2.4 2,-0.0 -1,-0.3 0.352 89.8 95.2 -98.1 4.9 11.7 19.5 21.7 49 49 A F E < -B 6 0A 16 -3,-2.0 2,-0.3 -43,-0.2 -43,-0.2 -0.636 55.3-165.4 -94.6 152.6 12.8 21.8 18.8 50 50 A E E -B 5 0A 130 -45,-2.1 -45,-2.7 -2,-0.2 2,-0.1 -0.991 27.5-100.7-137.5 148.7 10.9 22.2 15.6 51 51 A E E -B 4 0A 75 -2,-0.3 2,-0.7 -47,-0.2 -47,-0.2 -0.371 29.4-133.5 -63.2 137.5 11.8 23.8 12.2 52 52 A V 0 0 63 -49,-2.8 -49,-0.4 -2,-0.1 -1,-0.1 -0.886 360.0 360.0 -91.1 114.3 10.5 27.3 11.6 53 53 A E 0 0 182 -2,-0.7 -49,-0.0 -51,-0.1 -51,-0.0 -0.805 360.0 360.0 -90.8 360.0 8.9 27.3 8.1