==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JAN-06 2FLS . COMPND 2 MOLECULE: GLUTAREDOXIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.JOHANSSON,C.SMEE,K.L.KAVANAGH,J.DEBRECZENI,F.VON DELFT,O.G . 101 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 78.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 9.9 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 . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 0 0 0 1 1 1 2 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 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 15 A M >> 0 0 72 0, 0.0 4,-1.7 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 121.5 -44.3 12.6 7.1 2 16 A P H 3> + 0 0 21 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.832 360.0 58.3 -53.5 -39.2 -40.5 12.2 7.5 3 17 A V H 3> S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.842 107.5 48.3 -61.9 -34.4 -39.7 14.1 4.3 4 18 A N H <> S+ 0 0 108 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.919 112.4 47.1 -68.8 -47.2 -41.6 17.2 5.6 5 19 A Q H X S+ 0 0 100 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.807 111.3 52.4 -66.1 -34.4 -39.7 17.1 9.0 6 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.963 111.8 45.5 -63.5 -49.8 -36.4 16.6 7.2 7 21 A Q H X S+ 0 0 96 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.906 113.0 50.7 -61.8 -45.5 -37.2 19.7 5.0 8 22 A E H X S+ 0 0 48 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.918 111.8 47.7 -52.4 -49.6 -38.3 21.7 8.1 9 23 A T H X S+ 0 0 35 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.895 112.9 46.2 -65.7 -42.3 -35.1 20.8 10.0 10 24 A I H < S+ 0 0 5 -4,-2.4 64,-0.3 1,-0.2 -1,-0.2 0.765 113.6 49.5 -73.9 -27.1 -32.7 21.7 7.2 11 25 A S H < S+ 0 0 76 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.749 114.0 46.0 -75.6 -26.1 -34.5 25.0 6.5 12 26 A D H < S+ 0 0 127 -4,-1.3 2,-0.4 -5,-0.2 -2,-0.2 0.468 111.9 53.2-100.2 -6.3 -34.5 25.9 10.2 13 27 A N < - 0 0 58 -4,-0.8 61,-0.3 1,-0.2 3,-0.1 -0.993 68.0-144.1-132.3 136.8 -30.8 25.1 10.9 14 28 A a S S+ 0 0 26 -2,-0.4 59,-1.9 1,-0.2 60,-0.5 0.971 93.3 24.8 -58.9 -59.4 -27.7 26.2 9.1 15 29 A V E S-aB 40 72A 1 24,-0.5 26,-2.9 57,-0.2 2,-0.4 -0.942 70.6-178.9-110.3 126.1 -25.9 22.8 9.6 16 30 A V E -aB 41 71A 0 55,-2.4 55,-2.6 -2,-0.5 2,-0.6 -0.995 8.6-166.7-123.2 130.1 -27.8 19.5 10.0 17 31 A I E -aB 42 70A 0 24,-3.2 26,-2.3 -2,-0.4 2,-0.7 -0.949 9.1-155.6-110.4 109.1 -26.1 16.1 10.5 18 32 A F E +aB 43 69A 1 51,-2.7 51,-1.5 -2,-0.6 2,-0.2 -0.785 40.5 161.8 -82.4 121.1 -28.4 13.1 10.2 19 33 A S E -a 44 0A 0 24,-3.2 26,-3.0 -2,-0.7 27,-0.4 -0.660 45.3-129.2-135.8 169.6 -26.5 10.7 12.2 20 34 A K > - 0 0 58 24,-0.2 3,-1.6 -2,-0.2 6,-0.2 -0.990 30.2-125.4-126.6 147.1 -26.4 7.4 14.2 21 35 A T T 3 S+ 0 0 65 -2,-0.3 -1,-0.0 1,-0.3 23,-0.0 0.718 106.6 38.0 -67.6 -26.4 -25.0 7.4 17.7 22 36 A S T 3 S+ 0 0 115 4,-0.0 2,-0.6 -3,-0.0 -1,-0.3 -0.225 84.8 119.3-114.6 40.3 -22.3 4.7 17.2 23 37 A C <> - 0 0 21 -3,-1.6 4,-2.0 1,-0.1 3,-0.2 -0.925 50.4-157.1-104.2 120.7 -21.2 5.7 13.6 24 38 A S H > S+ 0 0 89 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.854 94.6 55.6 -66.3 -34.7 -17.5 6.6 13.5 25 39 A Y H > S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.857 108.7 48.9 -60.7 -36.5 -18.1 8.6 10.3 26 40 A C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.901 108.2 51.8 -72.4 -43.1 -20.7 10.7 12.1 27 41 A T H X S+ 0 0 81 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.923 110.7 50.0 -57.2 -45.0 -18.5 11.2 15.1 28 42 A M H X S+ 0 0 63 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.870 110.2 49.5 -61.9 -38.6 -15.8 12.5 12.7 29 43 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.905 112.0 48.2 -70.4 -40.3 -18.3 14.9 10.9 30 44 A K H X S+ 0 0 37 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.925 110.6 52.4 -58.4 -46.6 -19.4 16.3 14.3 31 45 A K H X S+ 0 0 42 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.886 107.1 52.9 -58.0 -42.8 -15.7 16.7 15.3 32 46 A L H X S+ 0 0 16 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.933 113.0 41.5 -61.1 -50.8 -15.1 18.6 12.1 33 47 A F H ><>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 3,-0.6 0.930 115.1 51.7 -65.5 -43.3 -17.9 21.2 12.6 34 48 A H H ><5S+ 0 0 123 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.919 108.8 50.8 -54.7 -45.5 -17.0 21.4 16.3 35 49 A D H 3<5S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.694 109.4 51.6 -70.3 -20.0 -13.4 22.1 15.5 36 50 A M T <<5S- 0 0 31 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.417 112.8-120.3 -87.9 -4.8 -14.5 24.9 13.0 37 51 A N T < 5 + 0 0 152 -3,-1.4 2,-0.5 -4,-0.4 -3,-0.2 0.824 65.4 143.5 63.8 33.3 -16.7 26.5 15.8 38 52 A V < - 0 0 9 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.922 49.6-129.4-104.5 123.2 -19.8 26.0 13.6 39 53 A N - 0 0 144 -2,-0.5 -24,-0.5 -3,-0.1 2,-0.3 -0.559 32.0-176.3 -69.0 132.8 -23.0 25.2 15.5 40 54 A Y E -a 15 0A 76 -2,-0.3 2,-0.4 -26,-0.1 -24,-0.2 -0.915 25.6-129.2-128.0 154.9 -24.9 22.1 14.1 41 55 A K E -a 16 0A 98 -26,-2.9 -24,-3.2 -2,-0.3 2,-0.5 -0.903 23.5-155.1 -98.3 129.1 -28.1 20.3 14.7 42 56 A V E -a 17 0A 44 -2,-0.4 2,-0.5 -26,-0.2 -24,-0.2 -0.922 8.7-168.9-104.5 130.9 -27.8 16.5 15.1 43 57 A V E -a 18 0A 19 -26,-2.3 -24,-3.2 -2,-0.5 2,-1.0 -0.974 13.9-151.1-113.8 112.8 -30.7 14.2 14.3 44 58 A E E >> -a 19 0A 40 -2,-0.5 3,-1.6 -26,-0.2 4,-0.9 -0.720 8.4-168.6 -87.4 101.8 -29.9 10.7 15.7 45 59 A L G >4 S+ 0 0 3 -26,-3.0 3,-0.6 -2,-1.0 6,-0.3 0.842 82.6 60.4 -62.9 -34.0 -31.8 8.3 13.3 46 60 A D G 34 S+ 0 0 69 -27,-0.4 -1,-0.3 1,-0.2 -26,-0.1 0.654 106.3 48.0 -66.6 -15.6 -31.2 5.2 15.6 47 61 A L G <4 S+ 0 0 125 -3,-1.6 2,-0.2 4,-0.1 -1,-0.2 0.629 92.2 93.6-101.1 -15.4 -33.0 6.9 18.5 48 62 A L S X< S- 0 0 68 -4,-0.9 3,-1.5 -3,-0.6 4,-0.2 -0.570 76.8-131.9 -78.8 141.3 -36.1 8.1 16.5 49 63 A E T 3 S+ 0 0 159 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.867 109.5 29.7 -57.9 -40.3 -39.1 5.8 16.4 50 64 A Y T 3> S+ 0 0 119 1,-0.2 4,-1.8 2,-0.1 3,-0.3 -0.110 78.6 131.5-112.0 37.8 -39.4 6.0 12.6 51 65 A G H <> S+ 0 0 5 -3,-1.5 4,-2.3 -6,-0.3 -1,-0.2 0.771 70.1 59.9 -60.6 -29.2 -35.7 6.6 11.9 52 66 A N H > S+ 0 0 102 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 105.2 48.0 -62.5 -47.6 -35.8 3.9 9.2 53 67 A Q H > S+ 0 0 90 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.868 111.0 52.1 -57.2 -39.4 -38.5 5.9 7.3 54 68 A F H X S+ 0 0 17 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.902 108.8 49.3 -61.5 -44.4 -36.2 9.0 7.8 55 69 A Q H X S+ 0 0 21 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.886 110.0 52.3 -64.5 -36.9 -33.3 7.0 6.3 56 70 A D H X S+ 0 0 80 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.919 111.0 46.7 -61.6 -46.2 -35.6 6.0 3.4 57 71 A A H X S+ 0 0 16 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.855 109.2 54.0 -67.7 -37.3 -36.5 9.6 2.7 58 72 A L H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 6,-0.4 0.888 107.2 51.9 -64.4 -36.7 -32.9 10.7 2.9 59 73 A Y H X S+ 0 0 134 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.944 111.0 47.7 -58.0 -45.7 -32.1 8.1 0.2 60 74 A K H < S+ 0 0 86 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.885 118.2 41.4 -67.9 -36.5 -34.8 9.5 -2.0 61 75 A M H < S+ 0 0 71 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.867 130.1 21.9 -72.7 -44.3 -33.6 13.1 -1.4 62 76 A T H < S- 0 0 28 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.619 98.9-112.8-111.0 -17.4 -29.9 12.6 -1.6 63 77 A G S < S+ 0 0 46 -4,-2.8 2,-0.3 -5,-0.4 -4,-0.2 0.290 90.0 61.3 100.4 -9.6 -29.2 9.3 -3.6 64 78 A E - 0 0 62 -6,-0.4 -2,-0.3 2,-0.1 -1,-0.1 -0.982 60.8-150.7-148.0 154.2 -27.7 7.3 -0.7 65 79 A R + 0 0 105 -2,-0.3 -6,-0.1 -3,-0.1 -7,-0.1 0.406 57.8 117.8-104.6 -1.4 -29.0 6.0 2.7 66 80 A T - 0 0 89 -8,-0.1 -2,-0.1 2,-0.1 0, 0.0 -0.311 65.5 -89.6 -70.4 152.5 -25.7 6.0 4.5 67 81 A V S S+ 0 0 21 2,-0.1 -42,-0.2 12,-0.0 -48,-0.1 -0.836 97.6 50.5-100.7 149.5 -25.1 8.1 7.6 68 82 A P + 0 0 2 0, 0.0 2,-0.5 0, 0.0 12,-0.2 0.555 61.0 179.8 -76.9 150.6 -24.1 10.9 8.1 69 83 A R E -B 18 0A 13 -51,-1.5 -51,-2.7 -2,-0.1 2,-0.4 -0.999 19.5-159.1-110.5 119.7 -26.2 12.8 5.6 70 84 A I E -BC 17 78A 0 8,-2.2 7,-3.2 -2,-0.5 8,-0.9 -0.876 14.2-172.8-117.3 130.0 -25.1 16.4 5.9 71 85 A F E -BC 16 76A 5 -55,-2.6 -55,-2.4 -2,-0.4 2,-0.4 -0.931 4.2-176.9-121.2 139.0 -26.9 19.6 5.0 72 86 A V E > S-BC 15 75A 0 3,-2.6 3,-1.8 -2,-0.4 -57,-0.2 -0.984 79.8 -6.1-135.6 125.7 -25.6 23.2 5.0 73 87 A N T 3 S- 0 0 64 -59,-1.9 -59,-0.1 -2,-0.4 -58,-0.1 0.783 131.2 -58.1 58.4 32.5 -27.9 26.2 4.1 74 88 A G T 3 S+ 0 0 29 -60,-0.5 2,-0.4 -61,-0.3 -1,-0.3 0.492 114.8 119.0 78.9 6.2 -30.5 23.6 3.1 75 89 A T E < -C 72 0A 74 -3,-1.8 -3,-2.6 -65,-0.1 2,-0.4 -0.893 68.5-123.6-109.7 129.4 -28.2 21.9 0.6 76 90 A F E +C 71 0A 66 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.606 30.5 177.9 -67.3 123.7 -27.0 18.3 0.8 77 91 A I E - 0 0 18 -7,-3.2 2,-0.3 -2,-0.4 -6,-0.1 0.640 43.3-100.1-105.1 -18.5 -23.2 18.4 0.9 78 92 A G E -C 70 0A 2 -8,-0.9 -8,-2.2 4,-0.1 -1,-0.4 -0.870 43.2 -56.3 135.3-169.4 -22.4 14.8 1.3 79 93 A G S > S- 0 0 7 -2,-0.3 4,-2.3 -10,-0.2 5,-0.2 -0.030 73.1 -68.7 -92.1-159.8 -21.4 12.3 3.9 80 94 A A H > S+ 0 0 4 -12,-0.2 4,-2.2 2,-0.2 5,-0.2 0.939 131.9 49.0 -65.0 -46.4 -18.4 12.4 6.2 81 95 A T H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 113.2 47.5 -59.5 -45.2 -15.7 11.8 3.5 82 96 A D H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.908 110.1 52.7 -62.0 -47.6 -17.2 14.6 1.2 83 97 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.896 108.9 49.2 -57.0 -42.6 -17.5 17.0 4.1 84 98 A H H X S+ 0 0 105 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.895 112.1 48.8 -64.1 -41.1 -13.9 16.5 4.9 85 99 A R H X S+ 0 0 104 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.934 111.8 48.6 -61.2 -48.8 -12.9 17.0 1.3 86 100 A L H X>S+ 0 0 20 -4,-2.9 5,-2.4 2,-0.2 6,-0.9 0.881 112.7 49.0 -62.2 -37.5 -15.0 20.2 1.0 87 101 A H H ><5S+ 0 0 82 -4,-2.4 3,-1.3 -5,-0.2 -2,-0.2 0.960 109.1 51.1 -65.9 -47.9 -13.4 21.5 4.2 88 102 A K H 3<5S+ 0 0 101 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.809 113.0 48.8 -55.2 -32.4 -9.8 20.7 3.0 89 103 A E H 3<5S- 0 0 99 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.561 114.0-115.6 -86.5 -11.6 -10.7 22.6 -0.2 90 104 A G T <<5S+ 0 0 48 -3,-1.3 -3,-0.2 -4,-0.7 -2,-0.1 0.722 84.1 116.0 80.2 20.1 -12.1 25.7 1.5 91 105 A K >< + 0 0 112 -5,-2.4 4,-0.7 -6,-0.2 -4,-0.2 0.599 61.9 62.5 -89.2 -19.2 -15.6 25.1 0.1 92 106 A L H > S+ 0 0 0 -6,-0.9 4,-1.9 2,-0.2 3,-0.5 0.931 95.0 51.7 -84.6 -45.4 -17.5 24.5 3.4 93 107 A L H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 105.6 57.5 -65.8 -36.7 -17.2 27.7 5.5 94 108 A P H > S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.862 106.8 49.5 -57.1 -37.4 -18.5 29.9 2.6 95 109 A L H X S+ 0 0 41 -4,-0.7 4,-1.1 -3,-0.5 -2,-0.2 0.885 109.9 50.9 -64.2 -41.0 -21.6 27.7 2.5 96 110 A V H X S+ 0 0 1 -4,-1.9 4,-0.7 1,-0.2 3,-0.3 0.897 110.2 50.5 -63.1 -42.4 -22.0 28.2 6.3 97 111 A H H >X S+ 0 0 105 -4,-2.5 4,-2.4 1,-0.2 3,-0.6 0.840 99.1 62.8 -66.7 -37.6 -21.6 31.9 5.8 98 112 A Q H 3< S+ 0 0 114 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.883 97.9 63.3 -50.1 -38.5 -24.3 32.1 3.1 99 113 A a H 3< S+ 0 0 35 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.861 109.7 34.5 -49.4 -49.8 -26.7 30.9 5.9 100 114 A Y H << 0 0 142 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.906 360.0 360.0 -77.4 -47.6 -26.2 33.9 8.0 101 115 A L < 0 0 120 -4,-2.4 -3,-0.0 0, 0.0 0, 0.0 0.191 360.0 360.0 -71.1 360.0 -25.8 36.5 5.2