==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 10-MAY-94 1TRW . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.M.CLORE,J.QIN,A.M.GRONENBORN . 105 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 14.3 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 . 11 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 27.6 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 0 0 1 1 0 0 1 1 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 1 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 1 A M 0 0 194 0, 0.0 53,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-133.4 -6.9 -1.8 9.9 2 2 A V E -a 54 0A 40 51,-0.1 2,-0.3 54,-0.0 53,-0.2 -0.845 360.0-146.0-136.2 173.4 -3.4 -1.8 8.5 3 3 A K E -a 55 0A 106 51,-0.5 53,-2.2 -2,-0.3 2,-0.5 -0.950 13.1-135.6-147.8 125.3 -0.3 -4.1 8.6 4 4 A Q E -a 56 0A 117 -2,-0.3 2,-0.6 51,-0.2 53,-0.2 -0.668 21.2-143.0 -81.5 124.5 3.4 -3.2 8.6 5 5 A I E -a 57 0A 0 51,-2.3 53,-0.6 -2,-0.5 60,-0.1 -0.761 20.2-180.0 -90.2 123.2 5.4 -5.4 6.2 6 6 A E - 0 0 127 -2,-0.6 2,-0.2 1,-0.1 58,-0.2 0.768 67.5 -22.8 -92.0 -28.3 8.9 -6.3 7.6 7 7 A S S > S- 0 0 37 57,-0.1 4,-1.0 55,-0.1 -1,-0.1 -0.846 80.6 -74.8-159.2-164.4 9.9 -8.4 4.6 8 8 A K H > S+ 0 0 89 -2,-0.2 4,-2.2 2,-0.2 5,-0.2 0.777 118.4 68.6 -79.8 -24.2 8.5 -10.5 1.7 9 9 A T H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.972 105.5 38.9 -58.9 -52.5 7.6 -13.4 4.1 10 10 A A H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.852 109.9 63.5 -67.6 -31.0 4.8 -11.3 5.7 11 11 A F H X S+ 0 0 11 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.949 106.4 42.9 -59.5 -46.5 3.9 -9.8 2.3 12 12 A Q H X S+ 0 0 120 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.976 114.4 48.1 -65.1 -53.6 2.9 -13.3 1.0 13 13 A E H X S+ 0 0 132 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.823 107.6 59.9 -58.6 -25.9 1.0 -14.3 4.2 14 14 A A H X S+ 0 0 7 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.957 105.1 45.5 -68.0 -46.3 -0.7 -10.9 4.0 15 15 A L H X S+ 0 0 35 -4,-1.8 4,-1.1 -3,-0.3 -1,-0.2 0.809 110.8 57.2 -66.1 -25.2 -2.2 -11.7 0.6 16 16 A D H < S+ 0 0 134 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.936 107.7 44.0 -71.7 -44.7 -3.1 -15.1 2.0 17 17 A A H < S+ 0 0 83 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.770 104.0 67.4 -71.7 -22.3 -5.2 -13.7 4.8 18 18 A A H >< S- 0 0 12 -4,-1.5 2,-1.1 1,-0.2 3,-1.0 0.911 82.0-169.9 -65.1 -38.4 -6.8 -11.2 2.4 19 19 A G T 3< - 0 0 40 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 -0.704 63.2 -33.9 87.3-101.3 -8.6 -14.0 0.6 20 20 A D T 3 S+ 0 0 101 -2,-1.1 -1,-0.2 -3,-0.1 3,-0.1 0.266 104.9 114.0-138.4 5.7 -10.0 -12.4 -2.6 21 21 A K S < S- 0 0 117 -3,-1.0 61,-0.6 1,-0.1 31,-0.1 -0.284 80.7 -79.6 -75.6 167.7 -10.9 -8.9 -1.4 22 22 A L E -B 81 0A 17 29,-0.3 31,-1.3 59,-0.1 2,-0.3 -0.261 44.8-163.0 -63.0 156.1 -9.0 -5.9 -2.8 23 23 A V E -Bc 80 53A 3 57,-1.7 57,-2.5 29,-0.1 31,-0.2 -0.759 6.2-173.9-147.2 98.0 -5.6 -5.2 -1.2 24 24 A V E -Bc 79 54A 3 29,-1.6 31,-1.4 -2,-0.3 2,-0.3 -0.465 9.7-152.8 -87.0 163.7 -3.9 -1.8 -1.6 25 25 A V E -Bc 78 55A 0 53,-1.2 53,-1.0 29,-0.2 2,-0.5 -0.980 6.6-147.3-137.5 149.6 -0.3 -1.1 -0.4 26 26 A D E -Bc 77 56A 2 29,-0.6 31,-2.1 -2,-0.3 2,-0.9 -0.921 9.0-170.6-121.9 109.8 1.5 2.0 0.8 27 27 A F E +Bc 76 57A 2 49,-2.8 49,-1.5 -2,-0.5 31,-0.2 -0.811 27.8 149.2-100.1 100.5 5.2 2.4 -0.0 28 28 A S E - c 0 58A 13 29,-1.6 31,-1.6 -2,-0.9 2,-0.4 -0.457 43.7-115.5-116.7-168.7 6.5 5.4 1.9 29 29 A A - 0 0 1 6,-1.2 3,-0.2 29,-0.2 29,-0.1 -0.932 15.2-171.1-137.1 113.3 9.8 6.4 3.5 30 30 A T S S+ 0 0 73 -2,-0.4 -1,-0.1 1,-0.2 6,-0.1 0.968 90.9 57.0 -68.1 -50.9 10.1 6.9 7.3 31 31 A W S S+ 0 0 173 4,-0.1 -1,-0.2 5,-0.0 2,-0.2 0.787 101.8 76.5 -51.8 -22.8 13.7 8.4 7.1 32 32 A C - 0 0 20 -3,-0.2 -3,-0.1 1,-0.1 -4,-0.0 -0.521 69.5-155.5 -88.1 158.7 12.0 11.0 4.8 33 33 A G S >> S+ 0 0 41 -2,-0.2 3,-2.0 3,-0.1 4,-1.2 0.894 88.8 37.5 -96.6 -67.7 9.9 13.9 6.1 34 34 A P G >4 S+ 0 0 103 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.908 114.9 56.2 -53.4 -45.2 7.5 14.9 3.3 35 35 A C G 34 S+ 0 0 25 1,-0.2 -6,-1.2 2,-0.1 -3,-0.1 0.324 109.8 50.6 -72.4 15.8 7.1 11.3 2.2 36 36 A K G X4 S+ 0 0 98 -3,-2.0 3,-1.4 -8,-0.1 -1,-0.2 0.564 91.9 69.1-122.6 -24.9 5.9 10.7 5.8 37 37 A M T << S+ 0 0 147 -4,-1.2 -2,-0.1 -3,-0.7 4,-0.1 0.581 92.4 64.9 -73.5 -6.1 3.3 13.5 6.2 38 38 A I T 3> S+ 0 0 14 -4,-0.5 4,-1.4 1,-0.2 3,-0.3 0.337 78.1 85.2 -98.0 8.5 1.1 11.5 3.8 39 39 A K H <> S+ 0 0 75 -3,-1.4 4,-2.1 1,-0.2 5,-0.3 0.827 78.8 61.4 -80.5 -27.6 0.7 8.5 6.1 40 40 A P H 4 S+ 0 0 77 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.696 106.9 50.4 -70.8 -14.6 -2.3 9.9 8.1 41 41 A F H > S+ 0 0 104 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.937 114.4 37.7 -86.0 -56.6 -4.2 10.0 4.8 42 42 A F H >X S+ 0 0 2 -4,-1.4 3,-0.8 1,-0.2 4,-0.8 0.965 119.2 48.7 -60.3 -50.7 -3.6 6.4 3.6 43 43 A H H 3X S+ 0 0 79 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.793 103.9 63.7 -62.0 -23.4 -3.8 4.9 7.2 44 44 A S H >> S+ 0 0 58 -5,-0.3 4,-1.3 1,-0.2 3,-1.2 0.901 91.8 62.2 -68.8 -36.4 -7.1 7.0 7.5 45 45 A L H < + 0 0 86 -4,-3.1 3,-1.9 -5,-0.2 -1,-0.2 -0.622 62.1 164.6-125.4 73.9 -13.1 1.5 4.2 50 50 A S T 3 S+ 0 0 112 -3,-0.4 -1,-0.1 -2,-0.3 -4,-0.1 0.533 75.3 69.8 -68.2 0.6 -13.2 -1.5 6.6 51 51 A N T 3 S+ 0 0 114 -3,-0.1 2,-0.3 2,-0.0 -29,-0.3 0.282 93.5 66.7 -99.2 10.7 -14.1 -3.5 3.4 52 52 A V S < S- 0 0 17 -3,-1.9 2,-0.6 -6,-0.2 -29,-0.1 -0.970 79.0-129.2-131.2 146.3 -10.6 -3.1 2.0 53 53 A I E - c 0 23A 55 -31,-1.3 -29,-1.6 -2,-0.3 2,-0.5 -0.837 25.0-167.9 -97.5 121.0 -7.2 -4.4 3.1 54 54 A F E -ac 2 24A 2 -53,-0.8 -51,-0.5 -2,-0.6 2,-0.2 -0.913 2.0-168.1-111.2 131.6 -4.5 -1.7 3.5 55 55 A L E -ac 3 25A 2 -31,-1.4 -29,-0.6 -2,-0.5 2,-0.4 -0.655 10.9-147.3-109.9 169.6 -0.8 -2.6 3.9 56 56 A E E -ac 4 26A 43 -53,-2.2 -51,-2.3 -2,-0.2 2,-0.3 -0.863 16.7-178.1-142.0 104.8 2.2 -0.4 4.9 57 57 A V E -ac 5 27A 3 -31,-2.1 -29,-1.6 -2,-0.4 2,-0.5 -0.805 15.8-147.3-104.9 146.4 5.7 -1.2 3.5 58 58 A D E > - c 0 28A 28 -53,-0.6 4,-2.8 -2,-0.3 8,-0.2 -0.938 8.5-148.7-113.2 121.3 8.9 0.8 4.3 59 59 A V T 4 S+ 0 0 26 -31,-1.6 -30,-0.1 -2,-0.5 -1,-0.1 0.590 101.1 45.9 -65.6 -3.6 11.5 1.1 1.6 60 60 A D T 4 S+ 0 0 73 2,-0.1 3,-0.4 3,-0.1 -1,-0.2 0.807 122.9 28.6-104.4 -45.6 14.1 1.1 4.4 61 61 A D T 4 S+ 0 0 90 1,-0.2 -2,-0.2 2,-0.1 3,-0.2 0.786 135.7 32.4 -86.9 -27.4 13.0 -1.7 6.7 62 62 A A S >X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.1 3,-1.7 -0.125 70.3 139.5-118.5 36.5 11.3 -3.8 3.9 63 63 A Q H 3> + 0 0 134 -3,-0.4 4,-1.6 1,-0.3 -1,-0.1 0.721 67.6 70.6 -54.5 -14.4 13.7 -2.8 1.0 64 64 A D H 3> S+ 0 0 65 -58,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.912 103.3 37.6 -71.1 -39.5 13.4 -6.5 0.1 65 65 A V H <> S+ 0 0 3 -3,-1.7 4,-1.5 -7,-0.2 3,-0.4 0.853 112.1 58.7 -79.8 -33.7 9.7 -6.0 -1.0 66 66 A A H X>S+ 0 0 10 -4,-1.8 5,-1.6 1,-0.2 4,-0.8 0.903 101.5 55.4 -62.6 -37.8 10.4 -2.6 -2.6 67 67 A S H <5S+ 0 0 85 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.828 101.1 60.7 -65.6 -28.0 13.0 -4.1 -4.9 68 68 A E H <5S+ 0 0 103 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.986 116.1 29.2 -64.2 -55.3 10.4 -6.6 -6.1 69 69 A A H <5S- 0 0 36 -4,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.511 109.0-130.0 -82.0 -1.1 8.0 -3.9 -7.5 70 70 A E T <5 - 0 0 135 -4,-0.8 2,-1.0 -5,-0.3 -3,-0.2 0.981 27.8-165.0 51.9 66.4 11.1 -1.7 -8.1 71 71 A V < + 0 0 28 -5,-1.6 -1,-0.2 1,-0.1 3,-0.1 -0.712 23.9 160.7 -86.2 105.1 9.8 1.4 -6.3 72 72 A K + 0 0 186 -2,-1.0 2,-0.2 1,-0.2 -1,-0.1 0.121 65.5 51.3-109.6 20.7 12.1 4.3 -7.4 73 73 A A S S- 0 0 53 18,-0.0 -1,-0.2 0, 0.0 18,-0.2 -0.694 86.4-126.6-158.3 99.6 9.7 7.1 -6.6 74 74 A T S S+ 0 0 45 -2,-0.2 -46,-0.1 -3,-0.1 2,-0.1 -0.720 80.9 44.8 -98.8 153.2 8.0 7.3 -3.1 75 75 A P S S+ 0 0 6 0, 0.0 16,-1.2 0, 0.0 2,-0.3 0.587 77.9 161.8 -76.9 162.6 5.3 7.5 -2.0 76 76 A T E -BD 27 90A 9 -49,-1.5 -49,-2.8 14,-0.2 2,-0.4 -0.999 24.4-153.6-146.7 146.5 3.7 4.9 -4.3 77 77 A F E -BD 26 89A 1 12,-2.1 12,-2.1 -2,-0.3 2,-0.4 -0.953 7.9-165.6-123.7 141.9 0.5 2.8 -4.1 78 78 A Q E -BD 25 88A 5 -53,-1.0 -53,-1.2 -2,-0.4 2,-0.7 -0.963 14.1-141.6-127.2 144.1 -0.2 -0.7 -5.6 79 79 A F E +BD 24 87A 2 8,-3.2 7,-2.5 -2,-0.4 8,-1.2 -0.882 25.9 178.1-107.4 108.9 -3.5 -2.5 -6.2 80 80 A F E +BD 23 85A 27 -57,-2.5 -57,-1.7 -2,-0.7 2,-0.3 -0.814 4.6 177.8-109.5 150.8 -3.3 -6.3 -5.6 81 81 A K E > S-BD 22 84A 82 3,-1.4 3,-2.0 -2,-0.3 -59,-0.1 -0.971 70.8 -8.1-152.4 133.3 -6.1 -8.8 -5.8 82 82 A K T 3 S- 0 0 137 -61,-0.6 3,-0.1 -2,-0.3 -62,-0.1 0.760 130.6 -58.7 52.6 18.5 -6.1 -12.6 -5.3 83 83 A G T 3 S+ 0 0 43 1,-0.2 2,-0.4 -60,-0.0 -1,-0.3 0.808 117.1 115.2 81.8 28.6 -2.3 -12.1 -5.3 84 84 A Q E < -D 81 0A 138 -3,-2.0 -3,-1.4 0, 0.0 -1,-0.2 -0.982 69.0-122.6-134.7 125.9 -2.3 -10.5 -8.7 85 85 A K E +D 80 0A 109 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.466 37.6 163.3 -66.1 127.3 -1.3 -6.9 -9.5 86 86 A V E + 0 0 73 -7,-2.5 2,-0.3 1,-0.4 -1,-0.2 0.452 63.8 2.0-123.4 -8.8 -4.3 -5.2 -11.3 87 87 A G E +D 79 0A 20 -8,-1.2 -8,-3.2 2,-0.0 -1,-0.4 -0.967 59.8 163.7-171.7 156.2 -3.4 -1.6 -11.0 88 88 A E E +D 78 0A 101 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.970 3.2 173.6-172.8 159.8 -0.7 0.8 -9.6 89 89 A F E -D 77 0A 38 -12,-2.1 -12,-2.1 -2,-0.3 2,-0.4 -0.973 20.2-135.6-170.5 157.6 0.6 4.4 -9.7 90 90 A S E +D 76 0A 74 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.964 46.8 104.0-124.8 140.2 3.2 6.7 -8.1 91 91 A G - 0 0 30 -16,-1.2 2,-0.8 -2,-0.4 5,-0.0 -0.619 69.7-108.9 157.1 141.7 2.6 10.3 -7.0 92 92 A A S S+ 0 0 63 -2,-0.2 2,-1.1 -18,-0.1 3,-0.2 -0.028 76.7 123.6 -80.3 38.1 2.1 12.4 -3.8 93 93 A N >> + 0 0 80 -2,-0.8 3,-1.3 1,-0.2 4,-0.9 -0.623 30.2 171.1 -99.8 77.3 -1.6 12.9 -4.8 94 94 A K T 34 S+ 0 0 74 -2,-1.1 3,-0.5 1,-0.3 4,-0.5 0.834 78.3 60.2 -56.1 -30.0 -3.4 11.4 -1.8 95 95 A E T >> S+ 0 0 158 1,-0.2 3,-1.1 -3,-0.2 4,-0.8 0.845 94.2 64.0 -68.8 -29.1 -6.7 12.8 -3.2 96 96 A K H <> S+ 0 0 102 -3,-1.3 4,-2.6 1,-0.3 5,-0.3 0.858 85.7 73.2 -62.7 -32.5 -6.1 10.6 -6.3 97 97 A L H 3X S+ 0 0 6 -4,-0.9 4,-2.9 -3,-0.5 -1,-0.3 0.870 93.1 56.7 -51.4 -34.7 -6.5 7.5 -4.0 98 98 A E H <> S+ 0 0 136 -3,-1.1 4,-1.9 -4,-0.5 5,-0.2 0.998 110.6 38.6 -62.2 -63.5 -10.2 8.3 -3.8 99 99 A A H < S+ 0 0 75 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.837 117.6 54.6 -57.5 -28.9 -10.9 8.2 -7.6 100 100 A T H >X S+ 0 0 8 -4,-2.6 3,-2.1 1,-0.2 4,-1.1 0.943 103.6 52.1 -72.2 -45.6 -8.5 5.3 -7.8 101 101 A I H 3< S+ 0 0 14 -4,-2.9 4,-0.3 1,-0.3 -2,-0.2 0.889 107.0 54.0 -59.1 -35.1 -10.3 3.2 -5.2 102 102 A N T 3< S+ 0 0 122 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.513 98.8 70.5 -77.0 0.5 -13.5 3.7 -7.1 103 103 A E T <4 S+ 0 0 137 -3,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.958 115.9 14.7 -80.0 -56.6 -11.6 2.3 -10.1 104 104 A L < 0 0 55 -4,-1.1 -2,-0.2 -3,-0.1 -1,-0.1 0.075 360.0 360.0-105.8 23.4 -11.2 -1.3 -9.1 105 105 A V 0 0 138 -4,-0.3 -3,-0.1 -5,-0.2 -4,-0.0 -0.276 360.0 360.0 -60.9 360.0 -13.9 -1.2 -6.3