==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 11-OCT-06 2E0Q . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR H.MING,M.TANOKURA . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 1.0 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 . 9 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 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 0 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 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 37 A V 0 0 70 0, 0.0 50,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 114.5 -1.7 -0.5 0.8 2 38 A I E -a 51 0A 83 48,-2.7 50,-2.8 1,-0.1 2,-0.6 -0.505 360.0-127.2 -80.2 134.2 1.3 -2.8 0.2 3 39 A H E -a 52 0A 117 -2,-0.3 2,-0.3 48,-0.2 50,-0.2 -0.708 37.3-151.9 -74.9 120.5 1.4 -6.4 1.4 4 40 A L + 0 0 0 48,-2.8 50,-0.5 -2,-0.6 2,-0.3 -0.677 28.4 148.2-105.0 148.2 4.7 -6.5 3.3 5 41 A D > - 0 0 50 -2,-0.3 4,-1.2 48,-0.1 3,-0.3 -0.871 62.6 -76.6-152.5-170.8 7.2 -9.3 4.1 6 42 A S T 4 S+ 0 0 85 -2,-0.3 4,-0.5 1,-0.2 3,-0.1 0.844 124.0 55.8 -63.8 -32.6 11.0 -9.7 4.7 7 43 A K T 4 S+ 0 0 193 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.844 120.3 25.6 -70.9 -36.6 11.7 -9.5 1.0 8 44 A N T > S+ 0 0 42 -3,-0.3 4,-2.5 2,-0.1 5,-0.2 0.369 92.2 99.6-109.3 4.6 10.0 -6.1 0.3 9 45 A F H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 5,-0.1 0.951 89.3 39.5 -59.0 -51.7 10.2 -4.5 3.7 10 46 A D H > S+ 0 0 115 -4,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.911 115.1 50.6 -66.8 -41.5 13.2 -2.3 3.0 11 47 A S H > S+ 0 0 79 -4,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.905 110.6 51.9 -66.4 -33.7 12.3 -1.4 -0.5 12 48 A F H >X S+ 0 0 9 -4,-2.5 3,-1.4 1,-0.2 4,-0.5 0.942 107.7 51.3 -60.4 -47.8 8.9 -0.4 0.8 13 49 A L H 3< S+ 0 0 11 -4,-2.1 3,-0.5 1,-0.3 66,-0.4 0.852 111.2 48.6 -62.0 -31.6 10.5 1.8 3.4 14 50 A A H 3< S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.551 90.7 81.7 -83.0 -6.7 12.6 3.6 0.8 15 51 A S H << S+ 0 0 64 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.764 107.8 11.4 -75.8 -26.6 9.6 4.2 -1.6 16 52 A H S < S- 0 0 65 -4,-0.5 -1,-0.2 -3,-0.5 62,-0.1 -0.974 75.3-122.8-141.7 152.5 8.5 7.3 0.3 17 53 A E S S+ 0 0 119 -2,-0.3 61,-2.3 30,-0.2 2,-0.5 0.908 103.5 48.7 -61.7 -40.9 10.3 9.3 3.0 18 54 A I E S+B 77 0A 6 29,-0.4 31,-2.4 59,-0.2 2,-0.3 -0.871 73.1 176.2-105.0 130.7 7.3 8.7 5.3 19 55 A A E -Bc 76 49A 1 57,-2.0 57,-2.9 -2,-0.5 2,-0.4 -0.959 18.1-156.2-134.9 152.8 5.8 5.3 5.7 20 56 A V E -Bc 75 50A 1 29,-2.3 31,-2.4 -2,-0.3 2,-0.5 -0.995 9.3-164.9-131.9 122.0 3.1 3.8 7.8 21 57 A V E -Bc 74 51A 0 53,-2.7 53,-2.5 -2,-0.4 2,-0.7 -0.956 5.8-156.5-118.9 121.0 3.0 0.1 8.7 22 58 A D E -Bc 73 52A 1 29,-2.8 31,-2.7 -2,-0.5 2,-0.5 -0.872 8.0-154.6 -99.4 110.0 -0.1 -1.6 10.1 23 59 A F E +Bc 72 53A 0 49,-2.9 49,-1.2 -2,-0.7 2,-0.3 -0.798 35.1 149.3 -86.2 122.8 0.7 -4.8 12.0 24 60 A W E - c 0 54A 49 29,-2.1 31,-2.2 -2,-0.5 32,-0.4 -0.901 33.5-158.9-150.0 166.3 -2.3 -7.0 11.9 25 61 A A > - 0 0 0 -2,-0.3 3,-1.4 29,-0.2 6,-0.1 -0.977 33.0-115.4-152.7 158.9 -3.7 -10.5 11.9 26 62 A E T 3 S+ 0 0 125 -2,-0.3 6,-0.1 1,-0.3 -1,-0.0 0.762 112.7 55.6 -69.0 -25.0 -7.0 -12.1 10.8 27 63 A W T 3 S+ 0 0 169 1,-0.0 2,-0.8 4,-0.0 -1,-0.3 0.469 86.9 95.9 -82.9 -4.5 -8.1 -13.1 14.3 28 64 A a <> - 0 0 4 -3,-1.4 4,-1.5 1,-0.2 -3,-0.2 -0.793 55.3-168.3 -99.2 105.3 -7.7 -9.6 15.6 29 65 A A H > S+ 0 0 68 -2,-0.8 4,-1.9 1,-0.2 3,-0.5 0.926 86.9 50.0 -63.2 -47.8 -11.1 -7.8 15.6 30 66 A P H > S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.853 107.2 58.0 -60.4 -30.8 -9.8 -4.2 16.3 31 67 A a H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.899 105.2 49.1 -64.4 -38.8 -7.3 -4.8 13.4 32 68 A L H < S+ 0 0 67 -4,-1.5 -1,-0.2 -3,-0.5 -3,-0.1 0.837 107.5 54.5 -75.1 -26.2 -10.2 -5.4 11.0 33 69 A I H X S+ 0 0 111 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.917 110.7 47.7 -62.4 -41.6 -11.9 -2.3 12.2 34 70 A L H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.774 92.3 80.8 -72.0 -27.6 -8.8 -0.4 11.4 35 71 A A H X S+ 0 0 14 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.910 95.3 41.7 -51.7 -55.4 -8.3 -1.9 7.9 36 72 A P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.864 112.6 56.2 -61.6 -31.6 -10.8 0.3 6.1 37 73 A I H X S+ 0 0 46 -4,-0.6 4,-2.0 -3,-0.3 -2,-0.2 0.937 112.1 41.6 -62.9 -49.7 -9.6 3.4 7.9 38 74 A I H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.881 112.5 54.1 -65.2 -43.2 -6.0 2.7 6.8 39 75 A E H X S+ 0 0 81 -4,-2.6 4,-1.5 -5,-0.3 -2,-0.2 0.911 110.8 46.2 -59.1 -44.3 -7.1 1.8 3.2 40 76 A E H X S+ 0 0 121 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.904 111.1 52.4 -69.0 -38.3 -9.0 5.1 2.8 41 77 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.884 104.4 57.0 -61.2 -38.3 -6.0 7.1 4.3 42 78 A A H < S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 107.0 48.7 -61.2 -39.8 -3.7 5.4 1.8 43 79 A E H < S+ 0 0 157 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.870 113.3 47.2 -66.9 -35.4 -5.9 6.8 -1.0 44 80 A D H < S+ 0 0 89 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.689 116.4 43.8 -78.5 -21.6 -5.9 10.3 0.5 45 81 A Y >< + 0 0 14 -4,-1.5 3,-2.0 -5,-0.1 -1,-0.2 -0.545 58.8 158.2-125.6 68.5 -2.1 10.4 1.1 46 82 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.682 73.3 67.7 -66.9 -16.0 -0.4 9.0 -2.1 47 83 A Q T 3 S+ 0 0 86 -3,-0.1 -29,-0.4 2,-0.1 2,-0.4 0.444 96.0 66.5 -78.9 -2.6 2.8 10.8 -1.0 48 84 A V S < S- 0 0 5 -3,-2.0 2,-0.4 -6,-0.2 -29,-0.2 -0.940 85.3-123.1-119.7 140.3 3.1 8.4 2.0 49 85 A G E - c 0 19A 3 -31,-2.4 -29,-2.3 -2,-0.4 2,-0.4 -0.688 26.0-168.2 -82.3 130.8 3.8 4.7 1.8 50 86 A F E + c 0 20A 7 -2,-0.4 -48,-2.7 -31,-0.2 2,-0.3 -0.994 11.8 170.1-118.0 130.7 1.2 2.5 3.5 51 87 A G E -ac 2 21A 1 -31,-2.4 -29,-2.8 -2,-0.4 2,-0.4 -0.951 26.3-139.9-139.1 155.4 1.8 -1.2 4.2 52 88 A K E -ac 3 22A 44 -50,-2.8 -48,-2.8 -2,-0.3 2,-0.6 -0.978 12.4-167.2-115.0 130.2 0.2 -4.1 6.1 53 89 A L E - c 0 23A 0 -31,-2.7 -29,-2.1 -2,-0.4 2,-0.6 -0.962 13.5-147.4-120.3 107.3 2.4 -6.6 7.9 54 90 A N E > - c 0 24A 6 -2,-0.6 4,-1.8 -50,-0.5 -29,-0.2 -0.719 4.1-156.8 -76.8 118.6 0.6 -9.8 9.0 55 91 A S T 4 S+ 0 0 16 -31,-2.2 -30,-0.1 -2,-0.6 -1,-0.1 0.699 90.0 57.3 -75.0 -22.7 2.2 -10.9 12.3 56 92 A D T 4 S+ 0 0 90 -32,-0.4 -1,-0.2 1,-0.2 -31,-0.1 0.902 114.8 38.4 -67.6 -43.1 1.1 -14.5 11.9 57 93 A E T 4 S+ 0 0 127 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.753 131.1 29.0 -77.4 -28.3 2.9 -14.7 8.6 58 94 A N X + 0 0 23 -4,-1.8 4,-1.9 1,-0.1 3,-0.5 -0.503 66.8 155.9-132.9 60.4 5.9 -12.6 9.7 59 95 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.826 73.8 57.5 -62.0 -31.6 6.3 -13.1 13.4 60 96 A D H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.886 105.9 49.6 -69.0 -34.0 10.0 -12.2 13.3 61 97 A I H > S+ 0 0 4 -3,-0.5 4,-1.7 2,-0.2 6,-0.2 0.912 111.1 48.7 -70.6 -42.4 9.3 -8.8 11.8 62 98 A A H <>S+ 0 0 6 -4,-1.9 5,-2.5 2,-0.2 -2,-0.2 0.943 114.6 45.8 -56.7 -49.1 6.6 -8.0 14.4 63 99 A A H ><5S+ 0 0 66 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.920 107.1 59.0 -60.6 -42.1 9.0 -9.1 17.2 64 100 A R H 3<5S+ 0 0 144 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.862 108.8 44.4 -52.5 -44.4 11.8 -7.1 15.6 65 101 A Y T 3<5S- 0 0 50 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.276 119.0-109.2 -91.4 12.0 9.8 -3.9 15.9 66 102 A G T < 5 + 0 0 44 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.700 57.7 164.3 74.4 20.1 8.6 -4.7 19.5 67 103 A V < + 0 0 14 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.629 6.0 158.5 -77.5 115.4 5.0 -5.4 18.5 68 104 A M + 0 0 163 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.438 62.2 23.7-119.6 -9.0 3.4 -7.2 21.4 69 105 A S S S- 0 0 65 18,-0.0 -1,-0.3 -46,-0.0 18,-0.1 -0.973 88.1 -80.3-153.1 159.2 -0.2 -6.5 20.8 70 106 A L S S+ 0 0 29 -2,-0.3 18,-0.2 16,-0.1 2,-0.1 -0.871 94.4 35.9-117.9 150.6 -2.4 -5.7 17.8 71 107 A P + 0 0 2 0, 0.0 16,-2.7 0, 0.0 2,-0.4 0.622 69.8 164.1 -69.9 151.0 -3.2 -3.5 16.2 72 108 A T E -BD 23 86A 2 -49,-1.2 -49,-2.9 14,-0.2 2,-0.5 -0.988 17.5-165.0-128.3 132.6 0.1 -1.6 16.2 73 109 A V E -BD 22 85A 2 12,-2.7 12,-2.4 -2,-0.4 2,-0.4 -0.974 7.4-163.4-115.6 122.1 0.8 1.1 13.6 74 110 A I E -BD 21 84A 4 -53,-2.5 -53,-2.7 -2,-0.5 2,-0.4 -0.901 7.0-147.9-110.7 134.5 4.4 2.2 13.2 75 111 A F E -BD 20 83A 0 8,-2.8 7,-2.6 -2,-0.4 8,-1.3 -0.859 16.3-164.9-103.4 130.9 5.4 5.4 11.5 76 112 A F E -BD 19 81A 1 -57,-2.9 -57,-2.0 -2,-0.4 2,-0.4 -0.904 13.8-171.3-116.7 145.6 8.8 5.6 9.6 77 113 A K E > S-BD 18 80A 92 3,-2.1 3,-2.1 -2,-0.4 -59,-0.2 -0.990 81.7 -13.9-132.2 123.1 10.9 8.4 8.3 78 114 A D T 3 S- 0 0 104 -61,-2.3 -64,-0.1 -2,-0.4 -60,-0.1 0.869 130.8 -52.4 54.2 37.0 13.9 7.5 6.1 79 115 A G T 3 S+ 0 0 34 -62,-0.4 -1,-0.3 -66,-0.4 -65,-0.1 0.344 113.6 117.1 85.6 -3.3 13.6 3.9 7.1 80 116 A E E < -D 77 0A 121 -3,-2.1 -3,-2.1 -67,-0.1 2,-0.7 -0.808 68.6-125.9-100.2 130.7 13.6 4.6 10.9 81 117 A P E +D 76 0A 60 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.650 37.8 169.4 -73.2 115.5 10.7 3.7 13.1 82 118 A V E - 0 0 59 -7,-2.6 2,-0.3 -2,-0.7 -6,-0.2 0.675 55.8 -7.6-105.2 -20.8 10.0 7.1 14.8 83 119 A D E -D 75 0A 71 -8,-1.3 -8,-2.8 2,-0.0 2,-0.3 -0.974 58.6-160.6-166.6 164.7 6.7 6.6 16.5 84 120 A E E -D 74 0A 71 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.989 13.6-142.9-151.5 162.4 3.8 4.2 17.0 85 121 A I E -D 73 0A 8 -12,-2.4 -12,-2.7 -2,-0.3 2,-0.5 -0.998 14.4-155.3-125.2 132.6 0.2 3.8 18.0 86 122 A I E +D 72 0A 101 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.954 61.8 22.0-110.5 121.7 -1.0 0.7 19.9 87 123 A G S S- 0 0 23 -16,-2.7 2,-0.3 -2,-0.5 -14,-0.1 -0.169 100.1 -59.8 110.0 157.4 -4.8 -0.1 19.5 88 124 A A + 0 0 48 -18,-0.2 -57,-0.1 -2,-0.1 -2,-0.1 -0.583 66.1 174.1 -66.7 133.8 -7.5 0.8 17.0 89 125 A V - 0 0 25 -2,-0.3 -2,-0.1 -4,-0.1 -4,-0.0 -0.897 35.5 -77.7-139.1 167.2 -7.8 4.6 17.0 90 126 A P >> - 0 0 76 0, 0.0 4,-1.1 0, 0.0 3,-0.8 -0.285 41.3-114.2 -63.4 154.9 -9.7 7.2 15.1 91 127 A R H >> S+ 0 0 58 1,-0.2 4,-2.8 2,-0.2 3,-0.6 0.868 114.0 66.2 -47.6 -39.2 -8.5 8.2 11.7 92 128 A E H 3> S+ 0 0 114 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.804 94.5 55.0 -72.4 -26.3 -7.6 11.6 13.1 93 129 A E H <> S+ 0 0 79 -3,-0.8 4,-1.0 2,-0.2 -1,-0.3 0.876 113.9 41.2 -67.5 -38.8 -4.9 10.3 15.4 94 130 A I H S+ 0 0 76 -4,-2.7 5,-2.4 1,-0.2 4,-0.6 0.918 110.0 48.5 -61.4 -41.1 0.6 15.7 8.5 100 136 A N H ><5S+ 0 0 125 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.926 110.7 50.8 -65.1 -39.4 3.3 16.4 11.0 101 137 A L H 3<5S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.836 110.0 50.2 -67.2 -32.1 5.7 14.0 9.3 102 138 A L H 3<5S- 0 0 53 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.521 118.3-113.1 -80.2 -10.4 5.0 15.6 5.9 103 139 A G T <<5 0 0 71 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.679 360.0 360.0 79.6 16.8 5.6 19.1 7.4 104 140 A E < 0 0 116 -5,-2.4 -4,-0.2 -6,-0.2 -1,-0.1 -0.217 360.0 360.0 -82.3 360.0 2.0 20.2 7.0