==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-NOV-10 2L6C . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR E.B.GARCIN,O.BORNET,C.SEBBAN-KREUZER,F.GUERLESQUIN . 104 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 13.5 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 . 7 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 25.0 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+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 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A M 0 0 150 0, 0.0 2,-0.3 0, 0.0 47,-0.2 0.000 360.0 360.0 360.0 -11.5 5.7 14.3 0.0 2 2 A S + 0 0 64 43,-0.2 52,-0.1 44,-0.1 40,-0.1 -0.974 360.0 165.8-160.4 148.5 5.8 11.0 2.1 3 3 A A + 0 0 56 50,-0.8 2,-1.2 -2,-0.3 52,-0.3 -0.016 22.8 163.3-147.9 24.0 4.0 9.4 5.1 4 4 A I + 0 0 15 50,-0.2 2,-0.3 34,-0.1 50,-0.2 -0.390 31.8 105.1 -71.0 91.3 5.2 5.7 4.8 5 5 A R S S- 0 0 158 -2,-1.2 50,-0.6 50,-0.2 20,-0.0 -0.957 77.5 -65.7-162.6 152.4 4.4 4.1 8.2 6 6 A D B +a 55 0A 46 -2,-0.3 50,-0.2 48,-0.2 3,-0.1 -0.090 39.5 175.5 -46.7 126.2 1.8 1.7 9.8 7 7 A I >> + 0 0 40 48,-1.3 3,-2.7 1,-0.1 4,-0.5 -0.197 21.5 146.9-123.6 41.3 -1.8 3.0 9.9 8 8 A T G >4 S+ 0 0 49 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.784 74.5 55.1 -48.8 -33.8 -3.6 -0.1 11.3 9 9 A T G 34 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.587 118.2 34.0 -77.9 -13.5 -6.2 2.2 13.1 10 10 A E G <4 S+ 0 0 128 -3,-2.7 -1,-0.2 5,-0.0 -2,-0.2 0.136 107.1 72.0-120.9 12.2 -7.1 3.9 9.8 11 11 A A << + 0 0 5 -3,-0.6 2,-0.2 -4,-0.5 -2,-0.1 0.295 66.9 114.0-112.6 3.5 -6.6 0.8 7.5 12 12 A G S >> S- 0 0 21 -4,-0.2 4,-2.3 1,-0.1 3,-1.4 -0.504 78.2-115.2 -73.7 148.3 -9.8 -1.2 8.5 13 13 A M H 3> S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.793 108.3 74.6 -51.3 -31.3 -12.6 -1.8 5.9 14 14 A A H 34 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.774 113.7 19.2 -59.1 -38.2 -14.9 0.3 8.1 15 15 A H H X> S+ 0 0 75 -3,-1.4 3,-2.2 2,-0.1 4,-0.6 0.702 117.5 67.0-101.0 -28.4 -13.3 3.7 7.2 16 16 A F H 3< S+ 0 0 12 -4,-2.3 3,-0.4 1,-0.3 -2,-0.2 0.791 96.3 58.8 -60.7 -26.4 -11.6 2.4 3.9 17 17 A E T 3< S+ 0 0 133 -4,-2.3 -1,-0.3 -5,-0.2 -3,-0.1 0.505 112.3 40.4 -74.7 -8.7 -15.2 2.0 2.6 18 18 A G T <4 S+ 0 0 64 -3,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.321 93.5 103.1-123.9 -0.1 -15.6 5.8 3.2 19 19 A L < - 0 0 61 -4,-0.6 3,-0.1 -3,-0.4 61,-0.1 -0.218 56.1-152.8 -75.1 172.8 -12.2 7.1 2.0 20 20 A S S S+ 0 0 84 1,-0.4 61,-2.1 61,-0.2 2,-0.3 0.709 79.6 3.2-112.2 -41.3 -11.6 8.9 -1.3 21 21 A D E +B 80 0A 54 59,-0.2 -1,-0.4 60,-0.1 2,-0.3 -0.972 69.6 152.3-152.2 128.6 -7.9 8.0 -1.9 22 22 A A E -B 79 0A 10 57,-1.9 57,-3.3 -2,-0.3 2,-0.4 -0.930 20.0-162.5-158.6 138.3 -5.4 5.9 0.2 23 23 A I E -Bc 78 53A 5 29,-2.2 31,-2.5 -2,-0.3 2,-0.4 -0.988 10.5-176.8-121.7 135.1 -2.3 3.7 -0.5 24 24 A V E -Bc 77 54A 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.6 -0.991 13.4-153.3-136.3 123.6 -0.9 1.1 1.9 25 25 A F E -Bc 76 55A 0 29,-2.2 31,-2.0 -2,-0.4 2,-0.3 -0.862 13.4-148.8 -96.8 116.6 2.3 -1.0 1.5 26 26 A F E +Bc 75 56A 3 49,-3.0 49,-1.2 -2,-0.6 2,-0.2 -0.716 31.9 150.1 -90.2 135.2 2.2 -4.4 3.3 27 27 A H E - c 0 57A 33 29,-1.6 31,-0.9 -2,-0.3 32,-0.7 -0.910 33.6-134.1-157.6 175.1 5.6 -5.7 4.5 28 28 A K - 0 0 110 -2,-0.2 6,-0.2 30,-0.2 29,-0.0 -0.993 27.0-121.1-145.9 145.0 7.6 -7.8 7.1 29 29 A N S S+ 0 0 115 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.763 110.4 59.8 -55.4 -31.6 10.8 -7.3 9.3 30 30 A L S S+ 0 0 131 4,-0.0 -1,-0.2 -3,-0.0 0, 0.0 -0.779 82.1 109.6-102.1 80.6 12.4 -10.4 7.6 31 31 A a - 0 0 32 -2,-0.9 4,-0.4 1,-0.1 3,-0.1 -0.675 42.2-175.3-163.0 99.0 12.2 -9.2 4.0 32 32 A P S > S+ 0 0 118 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.872 92.1 52.5 -60.6 -39.1 15.2 -8.2 1.7 33 33 A H T >> S+ 0 0 113 1,-0.2 3,-1.2 2,-0.1 4,-0.7 0.819 89.9 75.6 -70.9 -31.9 12.8 -7.1 -1.2 34 34 A a H 3> S+ 0 0 8 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.741 83.3 69.5 -56.4 -27.5 10.6 -4.7 1.0 35 35 A K H X> S+ 0 0 117 -3,-0.7 4,-1.6 -4,-0.4 3,-0.6 0.921 92.5 56.6 -54.0 -48.7 13.4 -2.1 1.0 36 36 A N H <> S+ 0 0 65 -3,-1.2 4,-2.0 -4,-0.3 5,-0.2 0.889 100.2 58.7 -56.5 -43.4 12.9 -1.3 -2.8 37 37 A M H 3X S+ 0 0 0 -4,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.873 104.9 50.2 -56.4 -38.5 9.2 -0.5 -2.2 38 38 A E H X S+ 0 0 0 -4,-1.7 3,-1.3 2,-0.2 4,-0.9 0.960 109.7 46.8 -67.6 -51.6 6.0 8.4 -6.2 45 45 A G H >< S+ 0 0 1 -4,-2.7 3,-0.7 1,-0.3 -2,-0.2 0.890 108.4 56.1 -60.5 -38.7 4.6 10.4 -3.3 46 46 A A T 3< S+ 0 0 28 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.675 114.7 39.5 -63.9 -22.0 6.9 13.3 -4.2 47 47 A R T <4 S+ 0 0 174 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.448 122.7 43.2-101.1 -7.8 5.4 13.2 -7.7 48 48 A A X< + 0 0 4 -4,-0.9 3,-1.6 -3,-0.7 -1,-0.2 -0.495 62.3 164.0-138.7 65.4 1.8 12.6 -6.4 49 49 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.746 70.8 65.7 -59.4 -29.6 1.1 14.9 -3.3 50 50 A Q T 3 S+ 0 0 135 2,-0.0 2,-0.4 -5,-0.0 -29,-0.1 0.698 95.3 65.7 -70.8 -21.6 -2.7 14.4 -3.4 51 51 A V S < S- 0 0 10 -3,-1.6 2,-0.4 -6,-0.1 -3,-0.1 -0.844 77.1-140.8-102.1 141.1 -2.4 10.7 -2.5 52 52 A A - 0 0 60 -2,-0.4 -29,-2.2 -31,-0.2 2,-0.5 -0.875 10.2-158.4-103.5 130.1 -1.1 9.5 0.9 53 53 A I E + c 0 23A 3 -2,-0.4 -50,-0.8 -31,-0.2 -29,-0.2 -0.953 20.5 161.7-111.6 118.4 1.2 6.4 1.1 54 54 A S E - c 0 24A 12 -31,-2.5 -29,-2.2 -2,-0.5 -50,-0.2 -0.623 28.6-126.4-112.0 176.8 1.5 4.5 4.4 55 55 A S E -ac 6 25A 0 -50,-0.6 -48,-1.3 -52,-0.3 2,-0.3 -0.634 9.6-145.9-106.8-179.9 2.7 1.0 5.3 56 56 A V E - c 0 26A 0 -31,-2.0 2,-1.6 -50,-0.2 -29,-1.6 -0.927 18.2-131.1-143.8 129.3 1.1 -1.9 7.3 57 57 A D E > - c 0 27A 57 -2,-0.3 3,-2.3 1,-0.2 4,-0.3 -0.581 27.9-175.8 -78.2 80.0 3.1 -4.4 9.5 58 58 A S G > S+ 0 0 11 -2,-1.6 3,-1.4 -31,-0.9 7,-0.2 0.777 75.9 64.8 -56.3 -31.8 1.4 -7.5 8.0 59 59 A E G 3 S+ 0 0 99 -32,-0.7 -1,-0.3 1,-0.3 -31,-0.1 0.743 107.2 42.8 -60.7 -27.0 3.3 -9.8 10.5 60 60 A A G < S+ 0 0 58 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.246 125.6 34.8-104.2 3.2 1.3 -8.1 13.4 61 61 A R <> + 0 0 55 -3,-1.4 4,-1.4 -4,-0.3 -1,-0.2 -0.397 66.7 155.8-150.8 65.6 -2.0 -8.2 11.4 62 62 A P H > S+ 0 0 65 0, 0.0 4,-1.1 0, 0.0 -3,-0.1 0.684 75.3 54.1 -74.5 -18.6 -2.0 -11.5 9.3 63 63 A E H > S+ 0 0 112 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.821 102.9 57.6 -79.1 -33.9 -5.8 -11.6 9.0 64 64 A L H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.937 109.9 42.7 -63.9 -47.7 -6.0 -8.0 7.6 65 65 A M H <>S+ 0 0 35 -4,-1.4 5,-2.4 -7,-0.2 4,-0.3 0.923 115.1 52.4 -61.1 -41.1 -3.7 -9.0 4.7 66 66 A K H ><5S+ 0 0 136 -4,-1.1 3,-1.0 3,-0.2 -2,-0.2 0.915 111.9 42.9 -63.2 -46.2 -5.6 -12.3 4.2 67 67 A E H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.4 59.0 -72.3 -30.3 -9.1 -10.6 4.0 68 68 A L T 3<5S- 0 0 36 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.489 132.0 -98.1 -75.3 -4.5 -7.6 -7.9 1.8 69 69 A G T < 5S+ 0 0 48 -3,-1.0 2,-0.3 -4,-0.3 -3,-0.2 0.505 84.9 77.2 114.2 11.0 -6.8 -10.9 -0.5 70 70 A F < + 0 0 4 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.938 30.9 174.7-157.1 165.5 -3.1 -12.0 0.1 71 71 A E + 0 0 103 -2,-0.3 -5,-0.1 -5,-0.1 2,-0.1 0.029 64.9 80.9-163.4 23.7 -0.4 -13.7 2.2 72 72 A R S S- 0 0 131 1,-0.4 3,-0.1 0, 0.0 -2,-0.1 -0.012 81.6 -14.4-121.6-151.9 2.7 -13.6 0.0 73 73 A V S S- 0 0 84 1,-0.2 -1,-0.4 -2,-0.1 -47,-0.1 -0.085 97.6 -53.2 -49.1 160.6 5.7 -11.2 -1.0 74 74 A P - 0 0 14 0, 0.0 16,-2.4 0, 0.0 2,-0.4 -0.109 66.9-158.8 -46.4 137.0 5.4 -7.4 -0.2 75 75 A T E -BD 26 89A 0 -49,-1.2 -49,-3.0 14,-0.2 2,-0.5 -0.984 17.5-146.7-137.0 131.7 2.2 -6.0 -1.7 76 76 A L E -BD 25 88A 0 12,-2.8 12,-2.6 -2,-0.4 2,-0.4 -0.886 18.0-166.4 -98.6 119.9 0.9 -2.5 -2.6 77 77 A V E -BD 24 87A 0 -53,-2.7 -53,-2.6 -2,-0.5 2,-0.4 -0.937 2.5-160.1-112.7 134.6 -2.9 -1.9 -2.0 78 78 A F E -BD 23 86A 7 8,-2.5 7,-2.3 -2,-0.4 8,-1.6 -0.963 2.3-161.2-122.4 121.6 -4.7 1.1 -3.6 79 79 A I E +BD 22 84A 11 -57,-3.3 -57,-1.9 -2,-0.4 2,-0.3 -0.889 17.0 165.3-103.7 131.0 -8.0 2.6 -2.4 80 80 A R E +B 21 0A 115 3,-2.4 -59,-0.2 -2,-0.4 3,-0.2 -0.941 65.1 2.0-149.1 124.7 -10.1 4.9 -4.7 81 81 A D S S- 0 0 130 -61,-2.1 -61,-0.2 -2,-0.3 -60,-0.1 0.670 129.2 -55.3 79.4 22.6 -13.8 6.0 -4.4 82 82 A G S S+ 0 0 16 1,-0.3 2,-0.3 -62,-0.1 -1,-0.2 0.758 123.1 80.0 77.1 28.5 -14.3 4.2 -1.0 83 83 A K S S- 0 0 105 -3,-0.2 -3,-2.4 -63,-0.1 2,-0.6 -0.975 90.4 -90.9-148.5 164.5 -13.2 0.7 -2.4 84 84 A V E +D 79 0A 66 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.694 37.4 177.7 -76.2 115.2 -10.0 -1.3 -3.2 85 85 A A E + 0 0 32 -7,-2.3 2,-0.3 -2,-0.6 -6,-0.2 0.737 64.2 12.3 -89.9 -27.6 -9.1 -0.5 -6.8 86 86 A K E -D 78 0A 92 -8,-1.6 -8,-2.5 2,-0.0 2,-0.4 -0.994 45.8-169.8-152.5 147.3 -5.9 -2.6 -7.0 87 87 A V E -D 77 0A 58 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.982 19.7-178.9-128.9 118.7 -3.8 -5.2 -5.1 88 88 A F E -D 76 0A 77 -12,-2.6 -12,-2.8 -2,-0.4 2,-0.5 -0.944 9.5-165.0-126.7 110.6 -0.2 -5.7 -6.6 89 89 A S E +D 75 0A 47 -2,-0.5 -14,-0.2 -14,-0.3 2,-0.2 -0.825 55.0 33.1 -94.0 125.7 2.2 -8.3 -5.1 90 90 A G S S- 0 0 16 -16,-2.4 2,-0.2 -2,-0.5 -14,-0.1 -0.762 92.9 -31.8 123.3-172.3 5.9 -7.9 -6.2 91 91 A I + 0 0 84 -2,-0.2 2,-0.3 -16,-0.1 -57,-0.0 -0.563 50.0 175.5 -87.0 144.6 8.5 -5.2 -7.1 92 92 A M - 0 0 27 -2,-0.2 -52,-0.1 4,-0.0 -51,-0.1 -0.908 22.3-135.4-134.8 166.6 7.8 -1.8 -8.9 93 93 A N >> - 0 0 72 -2,-0.3 4,-2.0 -53,-0.1 3,-0.7 -0.856 33.3-109.3-115.5 160.0 9.7 1.4 -10.0 94 94 A P H 3> S+ 0 0 32 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.865 115.7 56.2 -61.2 -41.3 8.4 5.0 -9.5 95 95 A R H 3> S+ 0 0 163 1,-0.2 4,-1.3 2,-0.2 5,-0.0 0.841 113.1 42.5 -58.6 -35.9 7.7 5.7 -13.2 96 96 A E H <> S+ 0 0 113 -3,-0.7 4,-2.9 2,-0.2 -1,-0.2 0.808 109.1 57.7 -81.5 -32.2 5.5 2.6 -13.3 97 97 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.926 108.4 48.2 -58.5 -46.3 3.9 3.5 -9.9 98 98 A Q H X S+ 0 0 42 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.898 113.6 46.4 -57.6 -46.9 2.9 6.8 -11.5 99 99 A A H X S+ 0 0 45 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.929 113.9 46.8 -67.2 -46.9 1.4 5.0 -14.6 100 100 A L H < S+ 0 0 37 -4,-2.9 4,-0.4 2,-0.2 -2,-0.2 0.945 116.5 45.9 -55.7 -52.2 -0.5 2.4 -12.4 101 101 A Y H >< S+ 0 0 57 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.939 112.1 48.6 -59.0 -53.6 -1.8 5.2 -10.2 102 102 A A H 3< S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.787 105.4 60.7 -60.3 -27.2 -2.8 7.5 -13.1 103 103 A S T 3< 0 0 106 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.585 360.0 360.0 -76.4 -10.4 -4.6 4.5 -14.7 104 104 A I < 0 0 78 -3,-1.9 -2,-0.2 -4,-0.4 -3,-0.1 0.739 360.0 360.0-107.8 360.0 -6.9 4.2 -11.6