==== 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 OXIDOREDUCTASE 02-JUN-04 1TI3 . COMPND 2 MOLECULE: THIOREDOXIN H; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS TREMULA; . AUTHOR N.COUDEVYLLE,A.THUREAU,C.HEMMERLIN,E.GELHAYE,J.P.JACQUOT, . 113 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 12.4 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 0.9 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 . 8 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 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 A 0 0 157 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.7 -11.2 8.9 16.6 2 2 A E + 0 0 157 51,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.974 360.0 144.4-143.8 123.9 -10.9 8.3 12.8 3 3 A E - 0 0 113 -2,-0.4 50,-0.2 53,-0.2 2,-0.1 -0.975 47.2 -94.4-159.4 156.3 -7.8 6.7 11.1 4 4 A G - 0 0 8 48,-1.8 2,-0.5 51,-0.8 55,-0.2 -0.319 38.0-136.8 -69.1 157.8 -6.5 4.4 8.4 5 5 A Q - 0 0 130 53,-0.2 55,-1.6 -2,-0.1 2,-0.6 -0.992 1.7-147.1-135.8 111.2 -5.8 0.7 9.3 6 6 A V E -a 60 0A 53 -2,-0.5 2,-0.4 53,-0.1 55,-0.3 -0.880 23.8-174.8 -78.8 116.3 -2.6 -1.2 8.1 7 7 A I E -a 61 0A 63 53,-1.4 55,-1.6 -2,-0.6 2,-0.1 -0.963 20.2-128.1-120.6 127.3 -3.7 -4.9 7.6 8 8 A A E -a 62 0A 52 -2,-0.4 2,-0.3 53,-0.2 55,-0.2 -0.301 27.1-153.1 -74.9 149.1 -1.1 -7.7 6.8 9 9 A C E +a 63 0A 5 53,-1.7 55,-1.7 1,-0.1 -1,-0.0 -0.977 30.1 156.1-151.0 145.2 -1.8 -10.0 3.7 10 10 A H + 0 0 103 -2,-0.3 2,-0.2 53,-0.2 -1,-0.1 0.661 59.2 5.4-141.6 -42.8 -1.0 -13.5 2.5 11 11 A T S >> S- 0 0 65 57,-0.1 3,-1.4 52,-0.0 4,-0.6 -0.661 101.1 -45.4-145.3-169.6 -3.4 -15.2 -0.2 12 12 A V H 3> S+ 0 0 106 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.744 118.5 79.7 -48.4 -24.0 -6.5 -14.7 -2.5 13 13 A D H 3> S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 88.6 52.3 -54.5 -39.6 -8.1 -13.1 0.6 14 14 A T H <> S+ 0 0 7 -3,-1.4 4,-2.9 2,-0.2 5,-0.4 0.773 99.4 63.5 -59.9 -35.1 -6.1 -9.8 -0.2 15 15 A W H X>S+ 0 0 101 -4,-0.6 4,-0.8 -3,-0.3 5,-0.5 0.914 106.0 45.7 -49.7 -44.2 -7.6 -10.0 -3.8 16 16 A K H X5S+ 0 0 135 -4,-1.4 4,-1.2 3,-0.1 5,-0.4 0.975 119.3 40.3 -57.8 -56.1 -10.9 -9.6 -2.0 17 17 A E H X5S+ 0 0 63 -4,-1.7 4,-1.4 3,-0.2 5,-0.3 0.933 119.4 41.2 -60.3 -61.0 -9.6 -6.6 0.3 18 18 A H H X5S+ 0 0 7 -4,-2.9 4,-2.0 3,-0.2 -3,-0.2 0.989 122.3 36.7 -50.7 -65.1 -7.3 -4.6 -2.3 19 19 A F H X5S+ 0 0 65 -4,-0.8 4,-1.6 -5,-0.4 -3,-0.1 0.897 118.1 46.0 -56.3 -55.8 -9.7 -4.8 -5.4 20 20 A E H < - 0 0 24 -2,-1.1 4,-1.1 -4,-0.1 -1,-0.0 -0.426 42.7-176.9-175.5 89.6 13.8 -6.3 4.5 39 39 A P H >> S+ 0 0 100 0, 0.0 4,-1.4 0, 0.0 3,-0.8 0.961 90.2 59.7 -56.2 -41.4 15.1 -4.3 7.6 40 40 A P H 3> S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.908 107.9 44.7 -47.0 -50.3 14.4 -0.9 5.5 41 41 A C H 3> S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 58,-0.0 0.728 104.9 65.8 -60.5 -25.4 10.7 -2.0 5.3 42 42 A K H << S+ 0 0 166 -4,-1.1 -1,-0.2 -3,-0.8 -6,-0.0 0.747 106.5 39.5 -60.0 -43.9 10.8 -2.9 9.1 43 43 A M H X S+ 0 0 110 -4,-1.4 4,-1.2 -3,-0.4 -2,-0.2 0.826 115.0 57.1 -61.2 -46.1 11.4 0.7 10.0 44 44 A I H X S+ 0 0 2 -4,-1.7 4,-3.1 -5,-0.3 -2,-0.2 0.801 91.9 67.2 -56.7 -43.3 8.7 1.7 7.2 45 45 A A H X S+ 0 0 33 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.936 106.2 42.1 -46.2 -56.4 5.9 -0.5 8.7 46 46 A P H > S+ 0 0 85 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.819 113.8 53.7 -48.0 -40.1 5.8 1.9 11.9 47 47 A I H X S+ 0 0 36 -4,-1.2 4,-2.5 2,-0.2 5,-0.2 0.970 107.8 49.4 -57.6 -54.3 6.2 5.0 9.4 48 48 A F H X S+ 0 0 2 -4,-3.1 4,-1.4 1,-0.2 -3,-0.2 0.778 113.1 48.1 -55.2 -33.2 3.1 3.7 7.4 49 49 A A H X S+ 0 0 42 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.915 111.7 46.7 -70.0 -54.1 1.1 3.4 10.9 50 50 A E H X S+ 0 0 130 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.988 115.7 47.9 -51.8 -52.6 2.1 7.0 12.2 51 51 A L H X S+ 0 0 0 -4,-2.5 4,-0.9 -5,-0.2 3,-0.4 0.948 107.0 58.0 -51.3 -46.4 1.1 8.3 8.6 52 52 A A H >< S+ 0 0 3 -4,-1.4 -48,-1.8 -5,-0.2 3,-0.8 0.918 103.6 49.8 -47.1 -50.4 -2.2 6.2 8.9 53 53 A K H 3< S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 113.2 50.2 -57.1 -29.7 -3.3 8.1 12.2 54 54 A K H 3< S+ 0 0 125 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.669 112.1 49.2 -70.8 -34.1 -2.5 11.3 10.1 55 55 A F << + 0 0 36 -4,-0.9 -51,-0.8 -3,-0.8 3,-0.3 -0.974 52.9 169.1-133.9 94.7 -4.7 10.3 7.1 56 56 A P S S+ 0 0 57 0, 0.0 -53,-0.2 0, 0.0 -1,-0.1 0.771 72.9 68.1 -69.5 -33.8 -8.4 9.0 7.5 57 57 A N S S+ 0 0 74 1,-0.1 -29,-1.5 -53,-0.1 2,-0.4 0.205 95.3 72.0 -61.3 -4.4 -9.5 9.0 3.7 58 58 A V E - b 0 28A 2 -3,-0.3 -29,-0.2 -31,-0.2 -53,-0.2 -0.910 67.1-146.7-145.3 108.7 -7.0 6.2 2.9 59 59 A T E - b 0 29A 14 -31,-1.9 -29,-1.7 -2,-0.4 2,-0.4 -0.328 19.2-151.9 -68.5 152.5 -6.9 2.3 3.7 60 60 A F E +ab 6 30A 0 -55,-1.6 -53,-1.4 -31,-0.2 2,-0.3 -0.994 20.7 163.1-138.5 131.3 -3.4 0.7 4.2 61 61 A L E -ab 7 31A 2 -31,-1.9 -29,-1.4 -2,-0.4 2,-0.3 -0.939 19.5-150.7-153.7 160.1 -2.4 -2.9 3.5 62 62 A K E -ab 8 32A 67 -55,-1.6 -53,-1.7 -2,-0.3 2,-0.4 -0.900 7.6-154.4-156.7 122.4 1.0 -4.9 3.0 63 63 A V E -ab 9 33A 4 -31,-2.0 -29,-1.8 -2,-0.3 2,-0.7 -0.844 20.5-128.3-102.5 125.9 1.7 -8.1 1.0 64 64 A D E > - b 0 34A 49 -55,-1.7 4,-1.2 -2,-0.4 -29,-0.2 -0.695 21.8-154.3 -66.1 102.9 4.5 -10.7 1.5 65 65 A V T 4 S+ 0 0 22 -31,-2.0 3,-0.4 -2,-0.7 4,-0.2 0.896 91.6 61.5 -52.7 -44.8 6.0 -10.7 -2.1 66 66 A D T 4 S+ 0 0 87 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.921 110.2 43.8 -49.1 -45.5 7.3 -14.4 -1.7 67 67 A E T 4 S+ 0 0 105 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.801 128.3 21.9 -58.4 -40.3 3.5 -15.4 -1.2 68 68 A L X + 0 0 29 -4,-1.2 4,-1.5 -3,-0.4 -1,-0.2 -0.453 66.7 138.0-149.0 54.3 1.9 -13.3 -4.1 69 69 A K H > + 0 0 109 -3,-0.4 4,-2.7 -4,-0.2 5,-0.2 0.860 66.7 68.0 -66.4 -41.0 4.4 -12.4 -6.8 70 70 A A H > S+ 0 0 81 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.907 113.6 30.0 -41.8 -65.1 2.0 -13.1 -9.8 71 71 A V H > S+ 0 0 15 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.838 117.8 57.4 -59.4 -44.5 -0.2 -10.2 -8.9 72 72 A A H X S+ 0 0 1 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.976 111.2 45.0 -51.3 -51.6 2.7 -7.9 -7.3 73 73 A E H X S+ 0 0 110 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.915 109.4 57.1 -57.8 -52.2 4.6 -8.1 -10.6 74 74 A E H < S+ 0 0 117 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.790 106.0 48.2 -46.8 -53.9 1.2 -7.3 -12.5 75 75 A W H < S- 0 0 28 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.921 139.0 -84.2 -51.5 -52.4 0.6 -4.0 -10.6 76 76 A N H < S+ 0 0 77 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.263 76.0 145.7 151.2 97.7 4.2 -3.3 -11.5 77 77 A V < + 0 0 8 -4,-0.9 -4,-0.1 -8,-0.1 -3,-0.1 -0.451 11.1 141.7-154.4 76.2 6.9 -4.8 -9.0 78 78 A E S S+ 0 0 159 -5,-0.1 2,-0.3 -6,-0.1 -1,-0.1 0.281 77.6 44.5 -68.6 -10.4 10.2 -5.9 -10.8 79 79 A A S > S- 0 0 48 -3,-0.1 3,-0.6 -6,-0.0 -46,-0.1 -0.995 93.9 -82.7-150.0 140.1 12.0 -4.5 -7.5 80 80 A M T 3 S+ 0 0 72 -2,-0.3 -46,-0.1 1,-0.2 16,-0.1 -0.856 99.5 21.9 -78.0 115.4 11.8 -4.3 -3.5 81 81 A P T 3 + 0 0 13 0, 0.0 16,-1.5 0, 0.0 2,-0.5 0.334 62.5 164.7-154.2 142.8 9.9 -2.2 -2.5 82 82 A T E < -CD 33 96A 3 -49,-1.0 -49,-0.8 -3,-0.6 2,-0.5 -0.724 18.1-157.3-110.0 113.0 7.0 -0.7 -4.2 83 83 A F E -CD 32 95A 3 12,-2.1 12,-1.2 -2,-0.5 -51,-0.2 -0.810 20.8-156.8 -87.8 120.2 4.0 1.4 -2.8 84 84 A I E -CD 31 94A 0 -53,-2.5 -53,-1.2 -2,-0.5 2,-0.4 -0.597 8.7-149.1-107.4 153.9 0.8 1.4 -5.0 85 85 A F E +CD 30 93A 0 8,-1.6 7,-1.5 -2,-0.2 8,-1.3 -0.969 21.0 166.5-135.3 107.6 -2.0 3.8 -5.3 86 86 A L E +CD 29 91A 8 -57,-2.0 -57,-1.4 -2,-0.4 5,-0.2 -0.997 9.8 165.5-141.1 124.9 -5.4 2.6 -6.3 87 87 A K E > - D 0 90A 41 3,-1.5 2,-1.8 -2,-0.4 3,-0.5 -0.545 58.8 -61.1-125.9 178.3 -8.4 4.8 -5.8 88 88 A D T 3 S+ 0 0 84 -61,-0.3 -65,-0.1 1,-0.2 -60,-0.1 -0.271 130.1 49.3 -62.9 49.0 -12.1 4.9 -7.0 89 89 A G T 3 S- 0 0 60 -2,-1.8 -1,-0.2 1,-0.2 -66,-0.1 0.118 115.3 -90.0 177.1 59.9 -10.8 5.1 -10.6 90 90 A K E < S-D 87 0A 158 -3,-0.5 -3,-1.5 1,-0.1 2,-0.8 0.148 84.2 -8.9 56.2-167.1 -8.2 2.4 -11.2 91 91 A L E +D 86 0A 50 -5,-0.2 -5,-0.2 1,-0.2 3,-0.1 -0.443 60.3 172.1 -56.2 101.3 -4.3 2.5 -10.7 92 92 A V E - 0 0 63 -7,-1.5 2,-0.3 -2,-0.8 -6,-0.2 0.860 56.7 -1.4 -69.4 -51.4 -3.4 6.2 -10.0 93 93 A D E -D 85 0A 39 -8,-1.3 -8,-1.6 2,-0.0 2,-0.3 -0.948 45.6-159.6-152.3 162.1 0.3 5.9 -9.1 94 94 A K E +D 84 0A 104 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.964 18.3 160.4-147.5 135.3 3.4 3.7 -8.5 95 95 A T E -D 83 0A 58 -12,-1.2 -12,-2.1 -2,-0.3 2,-0.4 -0.893 17.6-160.9-164.7 138.3 6.8 4.6 -6.4 96 96 A V E +D 82 0A 80 -14,-0.3 -14,-0.3 -2,-0.3 2,-0.1 -0.993 44.5 96.2-139.4 105.5 9.4 2.1 -5.0 97 97 A G - 0 0 36 -16,-1.5 2,-0.2 -2,-0.4 6,-0.1 -0.162 62.1-126.5 167.9 118.6 11.7 3.3 -2.2 98 98 A A + 0 0 30 -2,-0.1 2,-0.2 -18,-0.1 -57,-0.1 -0.438 48.9 149.4 -60.8 115.4 11.7 3.0 1.6 99 99 A D > - 0 0 82 -2,-0.2 4,-1.3 1,-0.1 -2,-0.0 -0.788 45.5-138.8-159.6 120.4 12.1 6.6 2.9 100 100 A K T 4 S+ 0 0 145 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 0.877 105.4 29.9 -45.4 -62.5 10.7 8.1 6.2 101 101 A D T > S+ 0 0 109 2,-0.1 4,-1.9 1,-0.1 -1,-0.2 0.822 111.7 73.4 -65.4 -35.4 9.5 11.7 4.8 102 102 A G H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.866 94.4 45.7 -42.4 -69.2 8.8 10.1 1.2 103 103 A L H X S+ 0 0 4 -4,-1.3 4,-2.3 2,-0.2 5,-0.3 0.886 112.8 50.4 -44.5 -66.1 5.6 8.1 2.0 104 104 A P H > S+ 0 0 25 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.852 114.1 46.3 -43.2 -44.2 3.9 11.2 4.0 105 105 A T H X S+ 0 0 72 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.941 113.0 50.1 -55.8 -57.8 4.7 13.5 1.1 106 106 A L H X S+ 0 0 21 -4,-2.4 4,-2.2 1,-0.2 -3,-0.2 0.912 114.6 42.4 -47.2 -58.8 3.4 10.9 -1.6 107 107 A V H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.4 0.935 109.7 59.1 -55.5 -56.4 0.0 10.3 0.3 108 108 A A H X S+ 0 0 33 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.858 109.8 41.8 -39.5 -50.8 -0.4 14.1 0.9 109 109 A K H X S+ 0 0 145 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.950 122.0 42.2 -55.6 -57.3 -0.3 14.8 -2.8 110 110 A H H < S+ 0 0 47 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.920 115.3 45.7 -56.5 -57.8 -2.6 11.8 -3.6 111 111 A A H < S+ 0 0 12 -4,-3.3 -1,-0.2 1,-0.2 -3,-0.2 0.829 111.8 53.3 -58.9 -43.6 -5.2 12.1 -0.7 112 112 A T H < 0 0 126 -4,-1.6 -2,-0.2 -5,-0.4 -1,-0.2 0.958 360.0 360.0 -47.9 -52.4 -5.5 16.0 -1.4 113 113 A A < 0 0 115 -4,-1.8 -1,-0.2 -5,-0.1 -4,-0.0 -0.428 360.0 360.0 -70.2 360.0 -6.3 15.1 -5.2