==== 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 08-JAN-04 1S24 . COMPND 2 MOLECULE: RUBREDOXIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS OLEOVORANS; . AUTHOR A.PERRY,W.TAMBYRAJAH,J.G.GROSSMANN,L.Y.LIAN,N.S.SCRUTTON . 56 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 55.4 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 . 9 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 3.6 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 . 8 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.8 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 . 0 0 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 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 A 0 0 113 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.6 -13.8 -4.0 0.9 2 2 A Y - 0 0 127 1,-0.1 2,-0.1 28,-0.0 15,-0.1 -0.342 360.0-143.5 -59.3 131.4 -10.6 -2.0 1.1 3 3 A L - 0 0 39 12,-0.1 13,-1.7 -2,-0.1 2,-0.3 -0.469 8.0-141.0 -92.4 168.9 -7.6 -4.3 0.6 4 4 A K E -A 15 0A 91 49,-0.3 49,-1.9 11,-0.2 2,-0.4 -0.930 5.3-152.3-130.5 155.0 -4.2 -4.1 2.4 5 5 A W E -AB 14 52A 34 9,-1.1 9,-2.2 -2,-0.3 2,-0.5 -0.983 4.7-151.6-129.4 135.6 -0.6 -4.6 1.2 6 6 A I E -AB 13 51A 27 45,-1.6 45,-1.9 -2,-0.4 2,-1.2 -0.885 19.0-130.2-108.1 128.2 2.4 -5.6 3.3 7 7 A C E >>> -AB 12 50A 0 5,-2.7 4,-2.7 -2,-0.5 3,-1.5 -0.582 14.7-162.7 -74.8 100.1 5.9 -4.5 2.3 8 8 A I T 345S+ 0 0 129 41,-1.6 -1,-0.2 -2,-1.2 42,-0.1 0.769 85.5 70.9 -56.1 -20.1 7.9 -7.8 2.4 9 9 A T T 345S- 0 0 75 40,-0.7 -1,-0.3 1,-0.1 41,-0.1 0.898 128.7 -7.9 -65.8 -38.2 11.0 -5.6 2.4 10 10 A C T <45S- 0 0 62 -3,-1.5 -2,-0.2 39,-0.2 -1,-0.1 0.619 98.0-103.9-129.2 -34.9 10.3 -4.4 6.0 11 11 A G T <5 + 0 0 47 -4,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.750 61.1 151.7 110.2 38.5 6.9 -5.7 7.1 12 12 A H E < -A 7 0A 70 -5,-0.5 -5,-2.7 2,-0.0 2,-0.3 -0.867 33.6-144.6-104.1 128.1 4.7 -2.6 6.8 13 13 A I E -A 6 0A 92 -2,-0.5 2,-0.5 -7,-0.3 -7,-0.3 -0.688 6.8-146.5 -92.2 143.2 0.9 -3.1 6.1 14 14 A Y E -A 5 0A 8 -9,-2.2 -9,-1.1 -2,-0.3 2,-0.7 -0.904 3.4-154.1-108.8 131.2 -1.0 -0.6 4.0 15 15 A D E > -A 4 0A 50 3,-0.5 3,-3.6 -2,-0.5 -11,-0.2 -0.870 7.0-154.3-106.3 107.9 -4.7 0.1 4.7 16 16 A E T 3 S+ 0 0 5 -13,-1.7 13,-1.6 -2,-0.7 12,-1.3 0.802 100.3 55.5 -50.4 -24.6 -6.6 1.3 1.6 17 17 A A T 3 S+ 0 0 35 1,-0.2 -1,-0.3 10,-0.2 -13,-0.1 0.282 126.0 18.1 -91.7 13.2 -8.9 3.0 4.0 18 18 A L S < S+ 0 0 113 -3,-3.6 -3,-0.5 11,-0.2 -1,-0.2 -0.090 77.8 158.0-176.7 62.3 -6.0 4.9 5.6 19 19 A G - 0 0 18 6,-0.5 2,-0.2 -3,-0.4 -3,-0.1 0.554 61.2 -24.9 -68.6-134.4 -2.8 5.1 3.5 20 20 A D > - 0 0 27 1,-0.1 5,-1.1 6,-0.1 4,-0.3 -0.500 46.8-164.0 -80.4 150.7 -0.2 7.8 4.2 21 21 A E T 5S+ 0 0 176 3,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 0.688 86.8 52.1-105.2 -25.1 -1.2 11.1 5.8 22 22 A A T 5S+ 0 0 98 1,-0.1 -2,-0.0 2,-0.1 -1,-0.0 0.916 113.8 41.6 -78.3 -43.2 1.9 13.1 4.9 23 23 A E T 5S- 0 0 102 2,-0.0 -1,-0.1 1,-0.0 -2,-0.1 0.932 119.6-105.3 -70.5 -43.4 1.8 12.4 1.2 24 24 A G T 5 + 0 0 55 -4,-0.3 2,-2.3 1,-0.1 -3,-0.2 0.620 52.0 168.3 124.7 30.1 -2.0 12.7 0.9 25 25 A F < - 0 0 30 -5,-1.1 -6,-0.5 -7,-0.0 4,-0.2 -0.448 30.0-149.2 -73.0 81.4 -3.3 9.2 0.6 26 26 A T - 0 0 90 -2,-2.3 2,-1.2 1,-0.2 3,-0.3 -0.096 32.9 -85.6 -49.3 150.9 -7.0 10.1 1.1 27 27 A P S S+ 0 0 93 0, 0.0 -10,-0.2 0, 0.0 -1,-0.2 -0.423 119.3 44.9 -62.4 95.8 -9.1 7.5 2.8 28 28 A G + 0 0 33 -12,-1.3 2,-0.6 -2,-1.2 -11,-0.2 0.544 69.6 136.3 136.1 41.4 -10.1 5.5 -0.3 29 29 A T - 0 0 27 -13,-1.6 2,-0.2 -3,-0.3 -11,-0.2 -0.888 38.4-153.3-118.2 104.9 -7.0 4.9 -2.4 30 30 A R >> - 0 0 122 -2,-0.6 3,-1.0 1,-0.1 4,-0.6 -0.507 24.3-122.4 -75.7 141.6 -6.6 1.4 -3.8 31 31 A F G >4 S+ 0 0 2 1,-0.2 3,-1.3 -2,-0.2 -1,-0.1 0.832 109.0 71.3 -52.0 -29.6 -3.0 0.2 -4.6 32 32 A E G 34 S+ 0 0 162 1,-0.3 -1,-0.2 0, 0.0 -3,-0.0 0.954 100.2 42.4 -54.1 -50.7 -4.3 -0.4 -8.1 33 33 A D G <4 S+ 0 0 127 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.541 100.6 84.9 -75.0 -2.2 -4.5 3.4 -8.8 34 34 A I << - 0 0 9 -3,-1.3 -1,-0.2 -4,-0.6 -5,-0.0 -0.748 65.8-172.9-103.8 90.5 -1.2 3.9 -7.0 35 35 A P > - 0 0 84 0, 0.0 3,-1.2 0, 0.0 -2,-0.0 0.269 52.4 -71.0 -62.1-163.4 1.5 3.2 -9.6 36 36 A D T 3 S+ 0 0 91 1,-0.2 -2,-0.0 10,-0.1 12,-0.0 0.713 116.9 90.7 -69.4 -16.0 5.2 3.1 -8.7 37 37 A D T 3 S+ 0 0 150 9,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.833 78.4 72.1 -50.0 -29.3 5.1 6.8 -8.1 38 38 A W < - 0 0 14 -3,-1.2 2,-0.2 1,-0.0 6,-0.0 -0.687 69.0-175.4 -89.8 140.7 4.2 6.0 -4.5 39 39 A C - 0 0 46 -2,-0.3 7,-0.2 8,-0.1 8,-0.1 -0.544 35.4 -71.4-121.2-170.8 6.9 4.5 -2.2 40 40 A C - 0 0 8 5,-0.5 -1,-0.0 -2,-0.2 7,-0.0 -0.707 28.2-145.1 -88.1 135.7 7.1 3.1 1.4 41 41 A P S S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.643 102.9 38.3 -72.0 -13.3 6.8 5.6 4.2 42 42 A D S S+ 0 0 120 -30,-0.0 -2,-0.0 -3,-0.0 0, 0.0 0.685 133.4 16.4-108.8 -25.3 9.3 3.5 6.2 43 43 A C S S- 0 0 64 2,-0.1 -4,-0.0 0, 0.0 0, 0.0 0.736 82.0-132.0-111.3 -75.2 11.7 2.4 3.5 44 44 A G + 0 0 54 2,-0.1 2,-0.1 1,-0.1 -5,-0.0 0.650 55.9 127.1 122.0 35.5 11.6 4.4 0.3 45 45 A A - 0 0 29 1,-0.2 -5,-0.5 2,-0.0 -2,-0.1 -0.395 61.6 -81.0-108.6-170.5 11.5 1.8 -2.5 46 46 A T > - 0 0 71 -7,-0.2 3,-0.6 -2,-0.1 -1,-0.2 0.008 50.1 -92.7 -78.5-167.5 9.1 1.1 -5.4 47 47 A K G > S+ 0 0 60 1,-0.2 3,-2.1 2,-0.1 -1,-0.1 0.683 111.7 83.2 -83.7 -16.0 5.8 -0.7 -5.2 48 48 A E G 3 S+ 0 0 153 1,-0.3 -1,-0.2 -41,-0.1 -12,-0.0 0.783 83.4 62.9 -58.8 -22.8 7.3 -4.0 -6.0 49 49 A D G < S+ 0 0 32 -3,-0.6 -41,-1.6 -42,-0.1 -40,-0.7 0.716 92.5 77.3 -75.5 -17.8 8.2 -4.3 -2.3 50 50 A Y E < +B 7 0A 7 -3,-2.1 2,-0.3 -43,-0.3 -43,-0.2 -0.774 61.8 179.5 -96.4 134.6 4.5 -4.3 -1.4 51 51 A V E -B 6 0A 55 -45,-1.9 -45,-1.6 -2,-0.4 2,-0.4 -0.782 35.9 -89.5-125.7 171.1 2.4 -7.4 -1.8 52 52 A L E -B 5 0A 43 -2,-0.3 2,-0.8 -47,-0.2 -47,-0.2 -0.669 35.6-133.8 -84.3 130.3 -1.2 -8.3 -1.2 53 53 A Y - 0 0 130 -49,-1.9 -49,-0.3 -2,-0.4 -1,-0.0 -0.706 65.2 -41.9 -85.1 113.1 -2.0 -9.7 2.3 54 54 A E S S+ 0 0 151 -2,-0.8 -50,-0.1 1,-0.1 0, 0.0 0.167 117.6 68.5 54.2 172.8 -4.2 -12.8 2.0 55 55 A E 0 0 138 1,-0.1 -2,-0.1 -52,-0.0 -1,-0.1 0.942 360.0 360.0 47.7 56.7 -7.1 -12.8 -0.5 56 56 A K 0 0 240 -4,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.734 360.0 360.0 -94.6 360.0 -4.7 -12.8 -3.5