==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 13-DEC-95 1IRN . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PASTEURIANUM; . AUTHOR Z.DAUTER,K.S.WILSON,L.C.SIEKER,J.M.MOULIS,J.MEYER . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3521.0 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 0 136 0, 0.0 2,-0.2 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 146.1 19.4 27.3 7.5 2 2 A K - 0 0 74 13,-0.1 28,-0.4 12,-0.1 2,-0.2 -0.523 360.0-124.2 -89.2 147.3 16.3 27.2 9.7 3 3 A K - 0 0 101 49,-0.4 49,-2.9 -2,-0.2 2,-0.4 -0.530 23.5-152.7 -74.8 152.8 15.7 28.5 13.2 4 4 A Y E -AB 13 51A 44 9,-1.7 9,-3.2 47,-0.3 2,-0.4 -0.972 3.6-147.5-125.9 146.0 14.5 26.1 15.9 5 5 A T E -AB 12 50A 35 45,-2.7 45,-2.0 -2,-0.4 2,-0.6 -0.922 18.3-123.0-119.6 140.7 12.4 26.9 19.0 6 6 A C E > - B 0 49A 1 5,-2.8 4,-1.9 -2,-0.4 43,-0.2 -0.690 20.6-156.4 -69.8 116.3 12.4 25.3 22.4 7 7 A T T 4 S+ 0 0 68 41,-2.3 -1,-0.1 -2,-0.6 42,-0.1 0.547 87.6 54.0 -82.9 0.3 8.7 24.3 22.8 8 8 A V T 4 S+ 0 0 87 40,-0.1 -1,-0.2 3,-0.1 41,-0.0 0.904 129.3 5.7 -90.0 -50.0 9.1 24.4 26.6 9 9 A C T 4 S- 0 0 61 2,-0.1 -2,-0.2 35,-0.0 -4,-0.0 0.636 94.7-113.3-113.3 -18.4 10.4 27.9 27.2 10 10 A G < + 0 0 43 -4,-1.9 -3,-0.1 1,-0.3 0, 0.0 0.353 55.7 155.0 100.9 -7.1 10.4 29.7 23.8 11 11 A Y - 0 0 40 -6,-0.1 -5,-2.8 1,-0.1 2,-0.5 -0.277 34.8-139.4 -51.3 141.6 14.1 30.1 23.3 12 12 A I E -A 5 0A 76 -7,-0.2 2,-0.7 -9,-0.0 -7,-0.2 -0.928 3.3-148.8-109.0 120.5 15.1 30.4 19.6 13 13 A Y E -A 4 0A 0 -9,-3.2 -9,-1.7 -2,-0.5 17,-0.1 -0.816 15.0-167.1 -82.4 119.4 18.2 28.8 18.2 14 14 A N >> - 0 0 39 -2,-0.7 4,-2.0 4,-0.4 3,-1.8 -0.949 13.8-152.0-111.3 111.3 19.5 30.9 15.4 15 15 A P T 34 S+ 0 0 2 0, 0.0 12,-3.4 0, 0.0 13,-0.5 0.753 94.1 61.2 -56.9 -25.9 22.1 29.1 13.3 16 16 A E T 34 S+ 0 0 153 10,-0.2 13,-0.0 1,-0.2 -3,-0.0 0.761 115.4 33.0 -68.6 -28.2 23.8 32.4 12.3 17 17 A D T <4 S- 0 0 105 -3,-1.8 -1,-0.2 1,-0.1 7,-0.1 0.654 90.4-171.8 -95.9 -28.2 24.6 33.0 16.0 18 18 A G < - 0 0 7 -4,-2.0 -4,-0.4 7,-0.2 7,-0.2 -0.232 41.7 -85.9 63.8-155.8 25.1 29.5 17.3 19 19 A D B > > +C 24 0B 17 5,-2.5 5,-2.1 -4,-0.1 3,-1.8 -0.561 54.8 171.4-144.2 65.7 25.4 28.9 21.0 20 20 A P G > 5 + 0 0 72 0, 0.0 3,-1.9 0, 0.0 5,-0.1 0.803 68.7 62.7 -59.3 -31.0 29.2 29.5 21.3 21 21 A D G 3 5S+ 0 0 157 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.708 109.7 43.0 -69.7 -16.6 29.4 29.5 25.1 22 22 A N G < 5S- 0 0 100 -3,-1.8 -1,-0.3 2,-0.2 3,-0.1 0.078 129.3 -94.6-110.7 19.5 28.3 25.9 25.0 23 23 A G T < 5S+ 0 0 58 -3,-1.9 2,-0.7 1,-0.2 -2,-0.1 0.581 84.9 127.1 84.6 12.2 30.5 24.9 22.1 24 24 A V B < -C 19 0B 5 -5,-2.1 -5,-2.5 9,-0.1 -1,-0.2 -0.878 49.3-148.6-106.3 105.8 28.0 25.4 19.2 25 25 A N > - 0 0 103 -2,-0.7 3,-1.5 -7,-0.2 -7,-0.2 -0.369 27.7 -86.5 -76.0 153.9 29.7 27.7 16.7 26 26 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.217 115.3 36.5 -50.2 143.4 28.0 30.1 14.4 27 27 A G T 3 S+ 0 0 46 -12,-3.4 2,-0.6 1,-0.3 -11,-0.2 0.486 80.8 137.6 87.6 4.6 26.8 28.4 11.2 28 28 A T < - 0 0 34 -3,-1.5 -1,-0.3 -13,-0.5 -10,-0.1 -0.736 50.4-134.9 -86.6 119.6 25.9 25.1 12.9 29 29 A D >> - 0 0 46 -2,-0.6 3,-1.5 1,-0.1 4,-0.6 -0.437 24.1-114.1 -66.4 148.5 22.7 23.6 11.6 30 30 A F G >4 S+ 0 0 15 -28,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.863 114.0 58.8 -52.0 -41.9 20.5 22.3 14.4 31 31 A K G 34 S+ 0 0 141 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.803 104.3 52.6 -58.3 -32.6 20.8 18.7 13.3 32 32 A D G <4 S+ 0 0 98 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.503 79.2 110.5 -88.7 -4.5 24.6 18.9 13.7 33 33 A I S << S- 0 0 2 -3,-1.4 -9,-0.1 -4,-0.6 4,-0.0 -0.511 89.2 -93.6 -61.3 133.8 24.5 20.2 17.3 34 34 A P > - 0 0 78 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.231 34.5-122.6 -52.8 139.7 25.8 17.4 19.5 35 35 A D T 3 S+ 0 0 138 1,-0.3 11,-0.3 -4,-0.1 -2,-0.1 0.488 106.2 63.3 -74.5 1.3 22.8 15.4 20.8 36 36 A D T 3 S+ 0 0 140 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.404 77.5 114.8 -96.5 -0.3 23.6 16.0 24.5 37 37 A W < - 0 0 19 -3,-2.2 9,-0.8 -4,-0.0 2,-0.3 -0.386 50.1-159.6 -66.9 148.9 23.2 19.8 24.2 38 38 A V B -D 45 0C 72 7,-0.2 7,-0.2 8,-0.1 6,-0.1 -0.860 34.4 -75.7-128.1 159.7 20.3 21.3 26.1 39 39 A C > - 0 0 2 5,-2.8 4,-1.7 -2,-0.3 7,-0.0 -0.365 39.4-139.2 -54.9 129.2 18.3 24.5 25.9 40 40 A P T 4 S+ 0 0 46 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.709 97.3 40.6 -68.2 -18.0 20.6 27.3 27.2 41 41 A L T 4 S+ 0 0 132 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.883 132.1 13.4 -96.6 -44.4 17.7 28.9 29.0 42 42 A C T 4 S- 0 0 53 2,-0.1 -3,-0.0 -31,-0.0 -1,-0.0 0.560 90.2-124.9-113.2 -10.6 15.6 26.1 30.5 43 43 A G < + 0 0 42 -4,-1.7 2,-0.1 1,-0.2 0, 0.0 0.508 56.8 139.7 85.4 1.3 17.7 23.0 30.2 44 44 A V - 0 0 40 1,-0.1 -5,-2.8 -6,-0.1 -1,-0.2 -0.383 53.6 -95.4 -77.9 161.3 15.4 20.6 28.3 45 45 A G B > -D 38 0C 28 -7,-0.2 3,-2.2 1,-0.1 -7,-0.2 -0.167 31.8-101.5 -69.6 167.8 16.8 18.3 25.6 46 46 A K G > S+ 0 0 26 -9,-0.8 3,-2.0 -11,-0.3 -1,-0.1 0.771 113.8 72.8 -58.1 -29.9 16.9 18.8 21.8 47 47 A D G 3 S+ 0 0 134 1,-0.3 -1,-0.3 -41,-0.0 -2,-0.0 0.514 89.0 61.3 -65.8 -7.4 13.9 16.5 21.4 48 48 A Q G < S+ 0 0 77 -3,-2.2 -41,-2.3 2,-0.0 -1,-0.3 0.338 89.6 95.2 -94.3 3.9 11.7 19.3 22.8 49 49 A F E < -B 6 0A 16 -3,-2.0 2,-0.3 -43,-0.2 -43,-0.2 -0.603 54.8-166.1 -92.8 155.6 12.7 21.6 19.9 50 50 A E E -B 5 0A 129 -45,-2.0 -45,-2.7 -2,-0.2 2,-0.1 -0.995 27.5-102.2-139.2 147.4 10.8 22.2 16.7 51 51 A E E -B 4 0A 75 -2,-0.3 2,-0.8 -47,-0.2 -47,-0.3 -0.372 26.6-133.3 -65.7 141.6 11.7 23.8 13.3 52 52 A V 0 0 66 -49,-2.9 -49,-0.4 1,-0.2 -1,-0.1 -0.876 360.0 360.0 -94.7 109.8 10.4 27.2 12.7 53 53 A E 0 0 161 -2,-0.8 -1,-0.2 -51,-0.1 -49,-0.0 0.915 360.0 360.0 -72.2 360.0 9.0 26.9 9.1