==== 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 1IRO . 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) . 3525.0 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 0 129 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 150.1 19.4 27.1 7.4 2 2 A K - 0 0 113 13,-0.1 28,-0.4 1,-0.1 2,-0.2 -0.583 360.0-123.4 -88.9 147.2 16.3 27.1 9.5 3 3 A K - 0 0 103 49,-0.3 49,-3.0 -2,-0.3 2,-0.4 -0.505 24.0-153.5 -76.0 153.7 15.7 28.4 13.0 4 4 A Y E -AB 13 51A 40 9,-1.8 9,-3.2 47,-0.3 2,-0.4 -0.978 3.4-146.4-129.0 144.6 14.4 26.0 15.6 5 5 A T E -AB 12 50A 35 45,-2.8 45,-2.0 -2,-0.4 2,-0.7 -0.910 17.1-125.1-116.9 140.0 12.4 26.8 18.7 6 6 A C E > - B 0 49A 1 5,-3.0 4,-2.4 -2,-0.4 43,-0.2 -0.679 20.8-156.2 -73.7 113.6 12.5 25.3 22.1 7 7 A T T 4 S+ 0 0 67 41,-2.4 -1,-0.2 -2,-0.7 42,-0.1 0.667 86.9 55.5 -76.6 -7.7 8.9 24.4 22.6 8 8 A V T 4 S+ 0 0 84 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.900 129.1 5.8 -85.4 -43.4 9.2 24.4 26.4 9 9 A C T 4 S- 0 0 59 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.0 0.610 94.5-113.4-120.0 -16.4 10.5 27.9 26.9 10 10 A G < + 0 0 42 -4,-2.4 -3,-0.1 1,-0.3 0, 0.0 0.351 56.0 154.0 96.3 -3.8 10.5 29.7 23.5 11 11 A Y - 0 0 40 -6,-0.1 -5,-3.0 -5,-0.1 2,-0.5 -0.305 35.6-139.5 -52.6 139.6 14.2 30.1 23.0 12 12 A I E -A 5 0A 79 -7,-0.2 2,-0.7 -9,-0.0 -7,-0.2 -0.924 2.6-148.0-108.6 121.0 15.1 30.3 19.3 13 13 A Y E -A 4 0A 0 -9,-3.2 -9,-1.8 -2,-0.5 17,-0.1 -0.825 16.2-168.1 -81.3 117.7 18.2 28.6 17.9 14 14 A N >> - 0 0 37 -2,-0.7 4,-2.1 4,-0.4 3,-1.8 -0.952 14.7-151.9-111.7 112.4 19.5 30.8 15.1 15 15 A P T 34 S+ 0 0 2 0, 0.0 12,-3.4 0, 0.0 13,-0.5 0.751 94.0 61.6 -59.1 -26.0 22.1 29.0 13.1 16 16 A E T 34 S+ 0 0 153 10,-0.2 13,-0.0 1,-0.2 -3,-0.0 0.745 115.5 33.3 -68.9 -25.1 23.8 32.3 12.1 17 17 A D T <4 S- 0 0 100 -3,-1.8 -1,-0.2 1,-0.1 7,-0.1 0.678 90.5-172.8 -96.2 -33.1 24.5 32.9 15.7 18 18 A G < - 0 0 6 -4,-2.1 -4,-0.4 7,-0.2 7,-0.2 -0.246 42.8 -86.5 66.0-157.2 25.0 29.4 17.0 19 19 A D B > > +C 24 0B 17 5,-2.7 5,-2.1 -4,-0.1 3,-1.9 -0.558 54.9 172.0-142.8 69.5 25.4 28.9 20.7 20 20 A P G > 5 + 0 0 69 0, 0.0 3,-2.0 0, 0.0 5,-0.1 0.798 68.8 62.6 -61.7 -32.8 29.2 29.5 21.0 21 21 A D G 3 5S+ 0 0 155 1,-0.3 4,-0.1 2,-0.1 -3,-0.0 0.702 109.5 44.0 -67.2 -17.5 29.5 29.5 24.7 22 22 A N G < 5S- 0 0 101 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.038 128.9 -95.5-111.1 20.4 28.3 25.9 24.6 23 23 A G T < 5S+ 0 0 59 -3,-2.0 2,-0.7 1,-0.2 -2,-0.1 0.567 85.0 126.9 83.5 13.9 30.5 24.9 21.7 24 24 A V B < -C 19 0B 4 -5,-2.1 -5,-2.7 9,-0.1 -1,-0.2 -0.902 49.9-149.0-105.8 104.7 28.0 25.3 18.9 25 25 A N > - 0 0 102 -2,-0.7 3,-1.5 -7,-0.2 -7,-0.2 -0.346 27.2 -87.1 -76.0 154.6 29.7 27.6 16.4 26 26 A P T 3 S+ 0 0 80 0, 0.0 -10,-0.2 0, 0.0 -1,-0.2 -0.247 115.5 38.6 -49.4 141.6 27.9 30.0 14.1 27 27 A G T 3 S+ 0 0 46 -12,-3.4 2,-0.6 1,-0.3 -11,-0.2 0.439 79.9 136.4 89.1 3.3 26.8 28.3 10.9 28 28 A T < - 0 0 32 -3,-1.5 -1,-0.3 -13,-0.5 -10,-0.1 -0.715 50.0-137.6 -85.8 118.1 25.8 25.0 12.6 29 29 A D >> - 0 0 50 -2,-0.6 3,-1.5 1,-0.1 4,-0.6 -0.417 24.9-113.5 -68.5 149.3 22.6 23.6 11.3 30 30 A F G >4 S+ 0 0 14 -28,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.875 114.7 59.0 -54.4 -40.6 20.4 22.2 14.1 31 31 A K G 34 S+ 0 0 142 1,-0.3 -1,-0.3 4,-0.0 4,-0.1 0.804 104.8 52.0 -59.4 -30.1 20.7 18.6 12.9 32 32 A D G <4 S+ 0 0 91 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.480 79.9 110.0 -87.1 -8.0 24.5 18.9 13.3 33 33 A I S << S- 0 0 1 -3,-1.3 -9,-0.1 -4,-0.6 4,-0.0 -0.542 88.7 -95.4 -60.6 132.1 24.4 20.2 16.9 34 34 A P > - 0 0 76 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.232 33.5-120.9 -53.4 141.3 25.7 17.3 19.1 35 35 A D T 3 S+ 0 0 137 1,-0.3 11,-0.3 -4,-0.1 -2,-0.1 0.483 107.1 63.0 -74.4 -1.0 22.8 15.4 20.4 36 36 A D T 3 S+ 0 0 140 9,-0.1 -1,-0.3 10,-0.1 2,-0.1 0.374 77.0 114.7 -96.0 -0.0 23.7 16.1 24.1 37 37 A W < - 0 0 17 -3,-2.3 9,-0.7 1,-0.0 2,-0.3 -0.398 50.4-159.2 -66.8 148.7 23.2 19.8 23.7 38 38 A V B -D 45 0C 68 7,-0.2 7,-0.2 -2,-0.1 6,-0.1 -0.868 32.5 -79.7-126.7 159.0 20.4 21.4 25.7 39 39 A C > - 0 0 2 5,-3.0 4,-2.2 -2,-0.3 5,-0.0 -0.376 38.0-140.6 -53.8 127.6 18.4 24.6 25.5 40 40 A P T 4 S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.723 97.4 42.4 -67.2 -25.4 20.6 27.3 27.0 41 41 A L T 4 S+ 0 0 131 3,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.820 132.2 13.9 -88.9 -41.7 17.7 28.9 28.7 42 42 A C T 4 S- 0 0 50 2,-0.1 -3,-0.1 -31,-0.0 -1,-0.0 0.502 89.4-124.7-118.3 -13.1 15.7 26.0 30.0 43 43 A G < + 0 0 44 -4,-2.2 2,-0.1 1,-0.2 0, 0.0 0.477 59.0 136.3 86.9 2.2 17.9 22.9 29.9 44 44 A V - 0 0 39 1,-0.1 -5,-3.0 -6,-0.1 -1,-0.2 -0.438 52.7-103.3 -81.9 159.5 15.7 20.6 27.9 45 45 A G B > -D 38 0C 26 -7,-0.2 3,-1.9 -2,-0.1 -7,-0.2 -0.123 33.1 -94.0 -77.9 173.8 17.1 18.4 25.1 46 46 A K G > S+ 0 0 25 -9,-0.7 3,-2.2 -11,-0.3 -1,-0.1 0.765 113.3 74.6 -56.3 -30.0 16.9 18.7 21.3 47 47 A D G 3 S+ 0 0 130 1,-0.3 -1,-0.3 -41,-0.0 -2,-0.0 0.582 90.2 58.0 -65.7 -9.5 13.8 16.5 21.1 48 48 A Q G < S+ 0 0 78 -3,-1.9 -41,-2.4 2,-0.0 -1,-0.3 0.311 91.0 95.4 -98.6 8.2 11.7 19.4 22.5 49 49 A F E < -B 6 0A 16 -3,-2.2 2,-0.3 -43,-0.2 -43,-0.2 -0.676 54.5-167.0 -94.7 153.5 12.7 21.6 19.6 50 50 A E E -B 5 0A 127 -45,-2.0 -45,-2.8 -2,-0.3 2,-0.1 -0.995 27.7-101.1-137.0 149.3 10.8 22.1 16.4 51 51 A E E -B 4 0A 77 -2,-0.3 2,-0.8 -47,-0.2 -47,-0.3 -0.333 26.5-131.7 -64.0 143.3 11.7 23.7 13.1 52 52 A V 0 0 60 -49,-3.0 -49,-0.3 -2,-0.1 -1,-0.1 -0.843 360.0 360.0 -90.0 105.8 10.5 27.2 12.5 53 53 A E 0 0 179 -2,-0.8 -49,-0.0 -51,-0.1 0, 0.0 -0.619 360.0 360.0 -85.5 360.0 9.0 26.9 8.9