==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-MAY-07 2PVX . COMPND 2 MOLECULE: RUBREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR L.WANG,D.M.LEMASTER,G.HERNANDEZ,H.LI . 431 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 62.2 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 . 102 23.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.6 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 . 45 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 . 15 0 12 4 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 8 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 0 102 0, 0.0 2,-0.2 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0-165.7 -1.9 -1.4 45.0 2 2 A K - 0 0 75 12,-0.0 13,-2.7 49,-0.0 2,-0.3 -0.559 360.0-143.4-102.9 161.5 -2.6 -2.4 41.4 3 3 A K E -A 14 0A 50 11,-0.2 49,-3.0 -2,-0.2 2,-0.3 -0.889 9.6-163.3-121.7 148.7 -2.0 -5.4 39.3 4 4 A W E -AB 13 51A 46 9,-2.3 9,-2.8 -2,-0.3 2,-0.4 -0.996 11.7-139.7-133.0 137.7 -1.1 -5.6 35.6 5 5 A V E -AB 12 50A 0 45,-2.8 45,-2.4 -2,-0.3 2,-0.6 -0.849 14.9-126.9-106.5 135.6 -1.4 -8.6 33.3 6 6 A C E > - B 0 49A 0 5,-2.8 4,-2.1 -2,-0.4 43,-0.2 -0.679 16.7-154.2 -69.8 116.1 1.1 -9.7 30.6 7 7 A T T 4 S+ 0 0 37 41,-2.6 -1,-0.1 -2,-0.6 42,-0.1 0.515 90.3 51.7 -77.2 -3.7 -1.0 -10.0 27.5 8 8 A V T 4 S+ 0 0 29 40,-0.2 -1,-0.2 3,-0.1 41,-0.1 0.878 131.4 3.7 -91.9 -51.9 1.5 -12.5 26.1 9 9 A C T 4 S- 0 0 21 2,-0.1 -2,-0.2 272,-0.0 272,-0.0 0.526 92.3-114.9-117.2 -6.6 1.8 -15.1 28.9 10 10 A G < + 0 0 6 -4,-2.1 -3,-0.1 1,-0.3 272,-0.0 0.440 55.9 157.0 86.0 -1.3 -0.6 -14.0 31.6 11 11 A Y - 0 0 7 -6,-0.1 -5,-2.8 1,-0.1 2,-0.7 -0.323 36.8-136.2 -54.7 137.0 1.9 -13.2 34.3 12 12 A I E -A 5 0A 30 -7,-0.2 2,-0.7 37,-0.1 -7,-0.2 -0.881 7.2-153.8 -99.3 115.7 0.5 -10.8 36.8 13 13 A Y E -A 4 0A 0 -9,-2.8 -9,-2.3 -2,-0.7 2,-0.6 -0.811 15.5-163.5 -81.4 114.8 2.8 -8.0 37.9 14 14 A D E >> -A 3 0A 28 -2,-0.7 4,-2.3 4,-0.4 3,-1.4 -0.911 13.9-153.1-104.5 112.5 1.5 -7.1 41.4 15 15 A E T 34 S+ 0 0 12 -13,-2.7 12,-2.4 -2,-0.6 13,-0.5 0.825 96.6 58.0 -55.1 -35.1 2.7 -3.7 42.6 16 16 A D T 34 S+ 0 0 87 -14,-0.3 -1,-0.3 10,-0.2 -13,-0.1 0.794 114.9 37.0 -63.8 -31.1 2.4 -4.9 46.2 17 17 A A T <4 S- 0 0 27 -3,-1.4 -2,-0.2 9,-0.2 -1,-0.2 0.757 87.6-173.3 -87.4 -29.4 4.9 -7.8 45.4 18 18 A G < - 0 0 0 -4,-2.3 -4,-0.4 10,-0.2 7,-0.2 -0.353 42.1 -87.2 59.0-146.8 7.2 -6.0 43.0 19 19 A D B > > +C 24 0B 0 5,-2.0 5,-2.2 -4,-0.1 3,-1.7 -0.493 51.9 170.8-157.2 66.0 9.8 -8.3 41.4 20 20 A P G > 5S+ 0 0 59 0, 0.0 3,-1.9 0, 0.0 5,-0.1 0.800 72.8 63.3 -65.1 -29.3 12.7 -8.3 43.8 21 21 A D G 3 5S+ 0 0 67 1,-0.3 4,-0.1 2,-0.1 -2,-0.0 0.697 110.0 43.7 -62.3 -21.6 14.7 -11.0 42.1 22 22 A N G < 5S- 0 0 79 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.058 132.3 -89.8-113.3 23.5 14.9 -8.6 39.2 23 23 A G T < 5S+ 0 0 68 -3,-1.9 2,-0.7 1,-0.2 -2,-0.1 0.571 87.3 126.6 88.7 9.4 15.7 -5.5 41.2 24 24 A I B < -C 19 0B 11 -5,-2.2 -5,-2.0 -7,-0.1 -1,-0.2 -0.885 49.5-143.3-111.7 111.7 12.2 -4.3 41.9 25 25 A S > - 0 0 71 -2,-0.7 3,-1.3 -7,-0.2 -7,-0.1 -0.340 33.2 -90.5 -64.6 150.2 11.1 -3.6 45.5 26 26 A P T 3 S+ 0 0 81 0, 0.0 -10,-0.2 0, 0.0 -9,-0.2 -0.255 113.9 37.3 -49.6 142.9 7.7 -4.4 46.7 27 27 A G T 3 S+ 0 0 37 -12,-2.4 2,-0.7 1,-0.3 -11,-0.2 0.473 77.8 144.7 87.4 6.5 5.4 -1.4 46.3 28 28 A T < - 0 0 23 -3,-1.3 -1,-0.3 -13,-0.5 -10,-0.2 -0.655 48.0-130.5 -79.7 118.0 6.9 -0.3 42.9 29 29 A K >> - 0 0 39 -2,-0.7 3,-1.7 1,-0.1 4,-0.5 -0.347 17.4-118.8 -61.2 146.1 4.2 1.2 40.7 30 30 A F G >4 S+ 0 0 14 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.908 114.4 58.7 -53.5 -42.0 4.1 -0.2 37.2 31 31 A E G 34 S+ 0 0 111 1,-0.3 -1,-0.3 15,-0.0 -2,-0.1 0.787 104.5 51.4 -58.8 -26.7 4.8 3.3 35.8 32 32 A E G <4 S+ 0 0 104 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.436 79.2 116.9 -97.0 2.3 8.0 3.5 37.8 33 33 A L S << S- 0 0 3 -3,-1.7 -9,-0.0 -4,-0.5 13,-0.0 -0.439 83.0 -91.3 -60.7 142.4 9.4 0.2 36.6 34 34 A P > - 0 0 62 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.214 36.4-111.6 -53.9 149.2 12.6 0.8 34.6 35 35 A D T 3 S+ 0 0 159 1,-0.3 11,-0.3 -3,-0.1 -2,-0.1 0.766 117.3 46.4 -56.2 -27.5 12.0 1.3 30.9 36 36 A D T 3 S+ 0 0 134 9,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.296 79.1 123.7-108.2 15.6 13.8 -2.0 30.2 37 37 A W < - 0 0 13 -3,-2.3 9,-0.6 1,-0.0 2,-0.3 -0.511 44.3-166.8 -62.7 142.7 12.1 -4.1 32.8 38 38 A V B -D 45 0C 64 7,-0.2 7,-0.2 -2,-0.2 6,-0.1 -0.886 33.7 -73.5-132.3 164.7 10.4 -7.1 31.1 39 39 A C > - 0 0 2 5,-3.1 4,-1.8 -2,-0.3 7,-0.0 -0.368 41.4-138.9 -55.0 127.4 8.0 -9.8 32.0 40 40 A P T 4 S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 390,-0.1 0.578 97.6 38.5 -71.6 -10.1 9.9 -12.1 34.3 41 41 A L T 4 S+ 0 0 17 3,-0.1 390,-0.4 389,-0.1 389,-0.2 0.750 133.0 15.4-103.6 -40.9 8.3 -15.2 32.5 42 42 A C T 4 S- 0 0 21 388,-0.1 332,-0.4 2,-0.1 389,-0.1 0.546 90.8-127.3-115.8 -11.1 8.1 -14.4 28.8 43 43 A G < + 0 0 26 -4,-1.8 2,-0.1 1,-0.2 0, 0.0 0.452 55.7 142.1 79.0 7.8 10.5 -11.4 28.4 44 44 A V - 0 0 0 1,-0.1 -5,-3.1 -6,-0.1 -1,-0.2 -0.337 49.9-103.1 -77.1 163.2 8.1 -9.0 26.7 45 45 A G B > -D 38 0C 24 326,-0.7 3,-2.1 -7,-0.2 -7,-0.2 -0.129 32.6 -91.4 -87.0 175.4 8.2 -5.3 27.5 46 46 A K G > S+ 0 0 38 -9,-0.6 3,-2.1 -11,-0.3 -1,-0.1 0.796 115.6 71.6 -55.9 -32.1 6.0 -3.0 29.6 47 47 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 324,-0.0 324,-0.0 0.674 91.5 59.9 -63.0 -17.6 3.9 -2.1 26.5 48 48 A Q G < S+ 0 0 37 -3,-2.1 -41,-2.6 323,-0.1 2,-0.3 0.349 86.9 94.3 -93.3 5.5 2.4 -5.5 26.5 49 49 A F E < -B 6 0A 8 -3,-2.1 2,-0.4 -43,-0.2 -43,-0.2 -0.759 56.8-158.3 -97.1 143.8 0.9 -5.2 30.0 50 50 A E E -B 5 0A 86 -45,-2.4 -45,-2.8 -2,-0.3 2,-0.2 -0.976 22.5-117.7-121.7 134.6 -2.7 -4.2 30.8 51 51 A K E -B 4 0A 38 -2,-0.4 -47,-0.3 -47,-0.3 2,-0.1 -0.440 34.2-112.3 -69.8 135.2 -3.8 -2.8 34.1 52 52 A L 0 0 15 -49,-3.0 233,-0.2 -2,-0.2 -49,-0.2 -0.479 360.0 360.0 -71.0 143.0 -6.5 -4.9 35.9 53 53 A E 0 0 98 231,-2.2 233,-2.1 -2,-0.1 230,-0.0 -0.990 360.0 360.0-123.3 360.0 -9.9 -3.3 36.1 54 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 101 B M 0 0 95 0, 0.0 2,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0-168.9 -2.2 -3.3 0.6 56 102 B K - 0 0 88 12,-0.1 13,-2.8 14,-0.0 14,-0.3 -0.428 360.0-141.7 -96.5 164.6 -1.2 -4.0 4.3 57 103 B K E -E 68 0D 64 11,-0.2 49,-2.9 49,-0.2 2,-0.4 -0.909 10.2-163.6-124.6 150.3 -1.7 -6.9 6.7 58 104 B W E -EF 67 105D 30 9,-2.2 9,-2.7 -2,-0.3 2,-0.4 -0.991 11.5-139.6-135.4 138.2 -2.4 -6.8 10.4 59 105 B V E -EF 66 104D 0 45,-2.9 45,-2.3 -2,-0.4 2,-0.6 -0.854 15.5-126.7-104.7 136.7 -2.1 -9.6 13.0 60 106 B C E > - F 0 103D 0 5,-2.8 4,-2.2 -2,-0.4 43,-0.2 -0.663 15.2-153.1 -73.4 120.1 -4.5 -10.4 15.8 61 107 B T T 4 S+ 0 0 39 41,-2.7 -1,-0.1 -2,-0.6 42,-0.1 0.541 91.0 51.4 -79.1 -2.0 -2.4 -10.5 18.9 62 108 B V T 4 S+ 0 0 31 40,-0.2 -1,-0.2 3,-0.1 41,-0.0 0.896 131.3 3.7 -91.4 -50.9 -4.9 -12.9 20.5 63 109 B C T 4 S- 0 0 18 2,-0.1 -2,-0.2 204,-0.0 273,-0.0 0.472 92.2-114.5-119.4 -8.8 -5.3 -15.7 17.9 64 110 B G < + 0 0 5 -4,-2.2 206,-0.1 1,-0.3 -3,-0.1 0.433 55.5 157.3 87.5 -3.0 -2.9 -14.9 15.1 65 111 B Y - 0 0 9 -6,-0.1 -5,-2.8 1,-0.1 2,-0.7 -0.302 36.8-136.0 -52.9 137.5 -5.5 -14.2 12.4 66 112 B I E -E 59 0D 31 -7,-0.2 2,-0.6 -9,-0.1 -7,-0.2 -0.899 8.6-154.5-101.7 114.0 -4.1 -12.0 9.6 67 113 B Y E -E 58 0D 0 -9,-2.7 -9,-2.2 -2,-0.7 2,-0.6 -0.798 12.9-162.0 -80.0 118.6 -6.4 -9.3 8.4 68 114 B D E >> -E 57 0D 43 -2,-0.6 4,-2.2 4,-0.4 3,-0.6 -0.936 12.1-152.1-109.0 116.1 -5.3 -8.6 4.8 69 115 B E T 34 S+ 0 0 4 -13,-2.8 12,-2.1 -2,-0.6 13,-0.6 0.834 96.6 56.4 -58.8 -36.9 -6.6 -5.2 3.5 70 116 B D T 34 S+ 0 0 91 -14,-0.3 -1,-0.3 1,-0.2 -13,-0.1 0.901 114.8 39.3 -63.7 -34.9 -6.7 -6.5 -0.1 71 117 B A T <4 S- 0 0 42 -3,-0.6 -2,-0.2 9,-0.2 -1,-0.2 0.782 88.3-174.6 -80.5 -29.4 -9.0 -9.3 1.0 72 118 B G < - 0 0 2 -4,-2.2 -4,-0.4 10,-0.2 7,-0.2 -0.332 42.2 -86.6 60.0-150.7 -11.1 -7.4 3.4 73 119 B D B > > +G 78 0E 0 5,-1.8 5,-2.3 -4,-0.1 3,-2.0 -0.517 53.2 169.6-151.5 64.2 -13.6 -9.5 5.3 74 120 B P G > 5S+ 0 0 68 0, 0.0 3,-1.7 0, 0.0 5,-0.1 0.838 72.1 58.7 -67.1 -27.5 -16.6 -9.7 3.0 75 121 B D G 3 5S+ 0 0 58 1,-0.3 4,-0.1 2,-0.1 0, 0.0 0.592 110.8 46.6 -76.8 -4.9 -18.6 -12.4 4.9 76 122 B N G < 5S- 0 0 68 -3,-2.0 -1,-0.3 2,-0.2 3,-0.1 -0.088 132.9 -91.0-119.5 26.1 -18.5 -10.1 7.9 77 123 B G T < 5S+ 0 0 64 -3,-1.7 2,-0.6 1,-0.2 -2,-0.1 0.447 86.5 124.2 92.7 2.7 -19.5 -7.0 5.9 78 124 B I B < -G 73 0E 12 -5,-2.3 -5,-1.8 -7,-0.0 -1,-0.2 -0.855 53.4-135.3-109.8 116.3 -16.1 -5.6 4.9 79 125 B S > - 0 0 76 -2,-0.6 3,-1.2 -7,-0.2 -7,-0.1 -0.285 31.7 -95.9 -62.6 146.8 -15.3 -5.0 1.3 80 126 B P T 3 S+ 0 0 83 0, 0.0 -9,-0.2 0, 0.0 -10,-0.2 -0.297 112.3 39.0 -53.7 141.6 -12.0 -6.1 -0.2 81 127 B G T 3 S+ 0 0 36 -12,-2.1 2,-0.7 1,-0.3 -11,-0.2 0.527 78.4 144.9 93.7 6.5 -9.6 -3.2 -0.2 82 128 B T < - 0 0 31 -3,-1.2 -1,-0.3 -13,-0.6 -10,-0.2 -0.679 46.3-133.9 -84.1 116.0 -10.7 -1.8 3.2 83 129 B K > - 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