==== 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 1TRV . 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) . 6369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 75.2 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 . 14 13.3 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 . 9 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 28.6 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 1 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 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 0 180 0, 0.0 53,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-131.6 -7.0 -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 -0.895 360.0-151.9-140.3 170.1 -3.4 -1.8 8.6 3 3 A K E -a 55 0A 99 51,-0.6 53,-2.1 -2,-0.3 2,-0.4 -0.933 14.6-135.3-150.4 124.0 -0.3 -4.1 8.8 4 4 A Q E -a 56 0A 117 -2,-0.3 2,-0.5 51,-0.2 53,-0.2 -0.634 22.3-141.0 -80.3 129.2 3.4 -3.2 8.6 5 5 A I E -a 57 0A 1 51,-2.1 53,-0.5 -2,-0.4 3,-0.1 -0.762 17.7-174.5 -92.7 131.2 5.3 -5.5 6.3 6 6 A E - 0 0 139 -2,-0.5 58,-0.2 1,-0.2 2,-0.2 0.804 67.3 -30.7 -92.6 -33.3 8.9 -6.5 7.5 7 7 A S S > S- 0 0 35 57,-0.1 4,-1.1 56,-0.1 -1,-0.2 -0.808 80.5 -68.2-159.6-159.2 9.9 -8.4 4.3 8 8 A K H > S+ 0 0 93 -2,-0.2 4,-2.5 2,-0.2 5,-0.3 0.805 121.0 66.3 -79.6 -27.5 8.5 -10.6 1.5 9 9 A T H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.963 107.1 39.6 -58.6 -49.5 7.6 -13.4 3.9 10 10 A A H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 110.7 61.6 -69.2 -32.0 5.0 -11.3 5.6 11 11 A F H X S+ 0 0 20 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.963 108.2 41.4 -59.5 -50.1 3.9 -9.8 2.2 12 12 A Q H X S+ 0 0 109 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.966 116.3 48.3 -63.4 -49.9 2.9 -13.3 0.9 13 13 A E H X S+ 0 0 125 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.849 108.3 57.5 -60.3 -30.1 1.2 -14.3 4.2 14 14 A A H X S+ 0 0 6 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.943 104.5 49.1 -67.3 -43.9 -0.6 -10.9 4.2 15 15 A L H X S+ 0 0 32 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.781 106.7 60.4 -66.1 -22.1 -2.2 -11.6 0.8 16 16 A D H >< S+ 0 0 135 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.938 105.5 44.0 -71.5 -45.2 -3.2 -15.0 2.3 17 17 A A H 3< S+ 0 0 78 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.765 103.1 68.8 -71.5 -21.8 -5.3 -13.5 5.1 18 18 A A H >< S- 0 0 7 -4,-1.4 3,-1.1 1,-0.2 2,-1.1 0.882 82.3-168.8 -65.2 -34.2 -6.8 -11.0 2.5 19 19 A G T << - 0 0 37 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.1 -0.674 62.0 -37.3 83.8-101.8 -8.6 -13.9 0.8 20 20 A D T 3 S+ 0 0 107 -2,-1.1 -1,-0.2 -3,-0.1 3,-0.1 0.282 105.1 112.3-140.6 4.8 -9.9 -12.4 -2.4 21 21 A K S < S- 0 0 118 -3,-1.1 61,-0.5 1,-0.2 31,-0.1 -0.238 81.7 -74.8 -75.5 171.6 -10.9 -8.9 -1.4 22 22 A L - 0 0 21 29,-0.3 31,-1.2 59,-0.1 2,-0.3 -0.236 46.2-163.1 -63.1 157.7 -9.0 -5.8 -2.7 23 23 A V E -bC 53 80A 2 57,-1.4 57,-2.4 29,-0.1 31,-0.2 -0.772 5.5-172.8-148.7 100.3 -5.6 -5.2 -1.2 24 24 A V E -bC 54 79A 4 29,-1.7 31,-1.4 -2,-0.3 2,-0.4 -0.484 9.2-153.1 -88.4 163.6 -3.8 -1.8 -1.5 25 25 A V E -bC 55 78A 0 53,-1.2 53,-1.3 29,-0.2 2,-0.7 -0.998 6.2-147.8-140.3 135.9 -0.2 -1.2 -0.4 26 26 A D E -bC 56 77A 1 29,-1.1 31,-2.0 -2,-0.4 2,-0.9 -0.874 10.6-170.7-107.1 110.1 1.5 2.0 0.8 27 27 A F E +bC 57 76A 2 49,-2.6 49,-1.2 -2,-0.7 31,-0.2 -0.800 29.9 142.5-100.2 97.7 5.2 2.2 -0.1 28 28 A S E -b 58 0A 5 29,-1.5 31,-1.7 -2,-0.9 2,-0.4 -0.457 47.0-111.8-119.8-166.0 6.5 5.3 1.8 29 29 A A - 0 0 1 6,-0.2 29,-0.1 29,-0.2 -2,-0.0 -0.974 13.2-167.8-136.9 122.7 9.7 6.3 3.6 30 30 A T S S+ 0 0 77 -2,-0.4 -1,-0.1 1,-0.2 6,-0.1 0.959 91.7 57.4 -74.4 -50.2 10.0 6.9 7.4 31 31 A W S S+ 0 0 174 4,-0.1 -1,-0.2 5,-0.0 2,-0.2 0.785 100.5 78.3 -51.8 -22.0 13.5 8.4 7.3 32 32 A C - 0 0 16 1,-0.1 -3,-0.1 2,-0.0 -4,-0.0 -0.578 69.1-156.9 -88.1 152.7 11.9 10.9 4.9 33 33 A G S >> S+ 0 0 24 -2,-0.2 4,-2.0 3,-0.1 3,-0.9 0.927 88.0 38.5 -91.8 -66.1 9.6 13.8 6.3 34 34 A P H 3> S+ 0 0 92 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.933 117.4 50.9 -52.8 -51.1 7.3 14.8 3.4 35 35 A C H 34 S+ 0 0 23 1,-0.3 -6,-0.2 2,-0.2 3,-0.1 0.779 114.8 46.5 -60.8 -20.8 6.9 11.2 2.2 36 36 A K H X4 S+ 0 0 82 -3,-0.9 3,-1.6 1,-0.2 -1,-0.3 0.726 98.3 67.7 -92.2 -24.0 6.0 10.4 5.9 37 37 A M H 3< S+ 0 0 128 -4,-2.0 -2,-0.2 -3,-0.4 -1,-0.2 0.652 95.2 60.2 -70.6 -10.5 3.6 13.4 6.3 38 38 A I T 3X S+ 0 0 14 -4,-0.7 4,-1.4 -5,-0.2 3,-0.4 0.329 80.6 86.8 -98.2 9.0 1.3 11.6 3.8 39 39 A K H <> S+ 0 0 84 -3,-1.6 4,-2.2 1,-0.2 5,-0.2 0.841 78.4 61.2 -78.7 -29.2 0.9 8.5 6.0 40 40 A P H 4 S+ 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.676 106.0 52.1 -70.1 -12.9 -2.1 9.9 8.1 41 41 A F H >> S+ 0 0 105 -3,-0.4 3,-1.1 2,-0.2 4,-1.0 0.942 112.6 38.5 -85.4 -59.0 -4.0 10.1 4.8 42 42 A F H >X S+ 0 0 2 -4,-1.4 3,-1.2 1,-0.3 4,-0.7 0.959 115.9 52.7 -57.2 -50.2 -3.5 6.5 3.5 43 43 A H H 3X S+ 0 0 76 -4,-2.2 4,-0.6 1,-0.3 3,-0.3 0.712 98.2 71.0 -60.8 -13.4 -3.9 5.1 7.1 44 44 A S H X> S+ 0 0 45 -3,-1.1 4,-1.7 -5,-0.2 3,-1.1 0.920 87.4 59.9 -69.6 -41.1 -7.1 7.1 7.1 45 45 A L H < + 0 0 73 -4,-3.0 3,-1.7 -5,-0.2 -1,-0.2 -0.618 60.5 163.8-130.1 75.2 -13.0 1.6 4.3 50 50 A S T 3 S+ 0 0 114 -3,-0.4 -1,-0.1 -2,-0.3 -4,-0.1 0.546 75.9 69.1 -69.7 -1.0 -13.2 -1.4 6.6 51 51 A N T 3 S+ 0 0 122 -3,-0.1 2,-0.3 2,-0.0 -29,-0.3 0.270 93.6 67.8 -99.0 12.0 -14.1 -3.4 3.4 52 52 A V S < S- 0 0 12 -3,-1.7 2,-0.7 -6,-0.2 -29,-0.1 -0.970 78.2-130.3-131.1 146.6 -10.5 -2.9 2.0 53 53 A I E - b 0 23A 58 -31,-1.2 -29,-1.7 -2,-0.3 2,-0.5 -0.846 25.2-168.4 -99.1 117.0 -7.2 -4.4 3.2 54 54 A F E -ab 2 24A 3 -53,-0.8 -51,-0.6 -2,-0.7 2,-0.2 -0.894 1.9-169.1-108.1 130.8 -4.5 -1.7 3.5 55 55 A L E -ab 3 25A 4 -31,-1.4 -29,-1.1 -2,-0.5 2,-0.3 -0.632 11.5-146.4-109.3 171.0 -0.8 -2.6 4.0 56 56 A E E -ab 4 26A 25 -53,-2.1 -51,-2.1 -2,-0.2 2,-0.3 -0.847 17.6-179.9-143.0 103.7 2.2 -0.4 5.0 57 57 A V E -ab 5 27A 0 -31,-2.0 -29,-1.5 -2,-0.3 2,-0.5 -0.810 16.7-147.4-105.6 146.5 5.7 -1.2 3.6 58 58 A D E > - b 0 28A 14 -53,-0.5 4,-3.0 -2,-0.3 8,-0.2 -0.939 8.7-148.7-113.3 120.2 8.9 0.8 4.3 59 59 A V T 4 S+ 0 0 25 -31,-1.7 -30,-0.1 -2,-0.5 -1,-0.1 0.581 101.5 47.6 -64.8 -2.5 11.5 1.0 1.5 60 60 A D T 4 S+ 0 0 74 -32,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.801 121.8 28.7-104.2 -43.8 14.1 1.2 4.3 61 61 A D T 4 S+ 0 0 100 1,-0.2 3,-0.2 2,-0.1 -2,-0.2 0.824 136.3 30.9 -87.0 -32.4 13.0 -1.7 6.6 62 62 A A S >X S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.1 4,-1.7 -0.161 70.8 141.4-116.1 38.8 11.4 -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 0.726 67.4 70.7 -54.3 -15.2 13.7 -2.8 1.0 64 64 A D H 3> S+ 0 0 58 -58,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.899 101.8 40.1 -70.7 -37.3 13.4 -6.5 0.0 65 65 A V H <> S+ 0 0 5 -3,-1.9 4,-1.3 2,-0.2 3,-0.4 0.847 109.8 59.8 -79.6 -32.7 9.8 -6.0 -1.0 66 66 A A H X>S+ 0 0 9 -4,-1.7 5,-1.8 1,-0.2 4,-0.9 0.900 100.4 56.0 -62.6 -37.2 10.4 -2.6 -2.7 67 67 A S H <5S+ 0 0 81 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.837 99.3 63.2 -65.1 -28.4 12.9 -4.3 -5.0 68 68 A E H <5S+ 0 0 112 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.991 116.8 25.8 -60.0 -59.3 10.2 -6.7 -6.1 69 69 A A H <5S- 0 0 27 -4,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.509 108.2-129.1 -82.3 -1.4 8.0 -3.9 -7.6 70 70 A E T <5 - 0 0 131 -4,-0.9 2,-0.9 -5,-0.3 -3,-0.2 0.980 30.8-168.0 53.3 61.2 11.1 -1.8 -8.1 71 71 A V < + 0 0 28 -5,-1.8 -1,-0.2 1,-0.1 3,-0.1 -0.704 22.4 161.2 -85.2 106.8 9.7 1.3 -6.4 72 72 A K + 0 0 170 -2,-0.9 2,-0.2 1,-0.2 -1,-0.1 0.075 63.7 54.8-111.3 23.0 12.2 4.1 -7.2 73 73 A A S S- 0 0 55 18,-0.0 -1,-0.2 -45,-0.0 18,-0.2 -0.739 84.1-126.0-157.9 104.2 9.7 7.0 -6.4 74 74 A T S S+ 0 0 45 -2,-0.2 -46,-0.1 -3,-0.1 2,-0.1 -0.751 80.1 43.8-102.9 153.8 7.9 7.3 -3.0 75 75 A P S S+ 0 0 9 0, 0.0 16,-1.3 0, 0.0 2,-0.3 0.591 78.0 160.7 -77.1 163.1 5.2 7.6 -2.0 76 76 A T E -CD 27 90A 13 -49,-1.2 -49,-2.6 14,-0.2 2,-0.4 -0.998 25.6-152.7-147.7 148.9 3.6 4.9 -4.2 77 77 A F E -CD 26 89A 0 12,-2.2 12,-2.3 -2,-0.3 2,-0.4 -0.970 8.9-167.6-126.1 139.1 0.4 2.8 -4.1 78 78 A Q E -CD 25 88A 3 -53,-1.3 -53,-1.2 -2,-0.4 2,-0.7 -0.956 14.3-142.6-126.3 144.8 -0.2 -0.6 -5.7 79 79 A F E -CD 24 87A 1 8,-3.2 7,-2.4 -2,-0.4 8,-1.2 -0.896 24.1-178.7-109.0 110.6 -3.5 -2.5 -6.2 80 80 A F E -CD 23 85A 18 -57,-2.4 -57,-1.4 -2,-0.7 2,-0.3 -0.770 5.8-177.5-107.3 154.0 -3.2 -6.3 -5.6 81 81 A K E > S- D 0 84A 70 3,-1.2 3,-1.7 -2,-0.3 -59,-0.1 -0.942 71.5 -14.3-152.1 125.9 -6.0 -8.9 -6.0 82 82 A K T 3 S- 0 0 140 -61,-0.5 3,-0.1 -2,-0.3 -62,-0.1 0.821 129.4 -55.6 52.3 27.0 -5.9 -12.7 -5.3 83 83 A G T 3 S+ 0 0 46 1,-0.2 2,-0.4 -68,-0.0 -1,-0.3 0.798 118.8 115.0 77.4 25.9 -2.1 -12.2 -5.3 84 84 A Q E < -D 81 0A 130 -3,-1.7 -3,-1.2 0, 0.0 -1,-0.2 -0.974 68.6-125.7-132.2 122.2 -2.2 -10.6 -8.8 85 85 A K E +D 80 0A 104 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.460 34.8 166.2 -65.7 128.1 -1.3 -6.9 -9.5 86 86 A V E - 0 0 75 -7,-2.4 2,-0.3 1,-0.4 -1,-0.2 0.482 63.2 -4.7-120.6 -10.7 -4.3 -5.3 -11.4 87 87 A G E +D 79 0A 16 -8,-1.2 -8,-3.2 2,-0.0 -1,-0.4 -0.964 58.9 165.9-174.6 158.4 -3.3 -1.6 -11.1 88 88 A E E +D 78 0A 97 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.975 3.4 176.5-173.0 162.7 -0.8 0.8 -9.5 89 89 A F E -D 77 0A 44 -12,-2.3 -12,-2.2 -2,-0.3 2,-0.3 -0.981 18.2-135.4-170.0 161.3 0.5 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 -0.951 44.4 104.3-128.2 148.3 2.9 6.9 -8.1 91 91 A G S S- 0 0 29 -16,-1.3 2,-0.7 -2,-0.3 -2,-0.0 -0.567 70.7-103.9 151.2 143.8 2.5 10.5 -7.0 92 92 A A S S+ 0 0 60 -2,-0.2 2,-1.0 1,-0.1 3,-0.2 -0.009 81.3 119.9 -79.7 36.8 2.0 12.5 -3.8 93 93 A N >> + 0 0 60 -2,-0.7 3,-0.9 1,-0.2 4,-0.8 -0.621 29.3 166.5-101.7 75.9 -1.7 12.9 -4.7 94 94 A K T >4 S+ 0 0 64 -2,-1.0 3,-0.5 1,-0.3 4,-0.4 0.823 76.1 61.9 -59.8 -27.4 -3.4 11.2 -1.7 95 95 A E T >> S+ 0 0 155 1,-0.2 3,-1.6 -3,-0.2 4,-0.7 0.876 93.2 62.1 -68.1 -33.9 -6.7 12.7 -2.9 96 96 A K H <> S+ 0 0 87 -3,-0.9 4,-2.7 1,-0.3 5,-0.3 0.823 84.0 78.8 -62.1 -26.6 -6.5 10.7 -6.2 97 97 A L H S+ 0 0 86 -3,-1.6 4,-1.8 -4,-0.4 5,-0.2 0.998 109.6 38.0 -62.1 -64.2 -10.4 8.2 -3.9 99 99 A A H < S+ 0 0 75 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.834 117.6 55.2 -57.4 -28.8 -11.0 8.2 -7.7 100 100 A T H >X S+ 0 0 15 -4,-2.7 3,-2.1 1,-0.2 4,-1.0 0.940 103.0 52.6 -71.7 -44.9 -8.5 5.3 -7.9 101 101 A I H 3< S+ 0 0 17 -4,-3.0 4,-0.4 1,-0.3 -2,-0.2 0.893 106.8 53.8 -58.9 -35.7 -10.3 3.2 -5.3 102 102 A N T 3< S+ 0 0 121 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.523 98.0 71.6 -76.6 -0.2 -13.5 3.6 -7.4 103 103 A E T <4 S+ 0 0 127 -3,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.957 114.9 15.7 -78.5 -54.5 -11.4 2.3 -10.3 104 104 A L < 0 0 47 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.1 0.155 360.0 360.0-105.2 18.5 -11.1 -1.4 -9.3 105 105 A V 0 0 144 -4,-0.4 -1,-0.2 -5,-0.2 -3,-0.1 0.832 360.0 360.0 -62.0 360.0 -13.9 -1.2 -6.7