==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-AUG-98 3GRX . COMPND 2 MOLECULE: GLUTAREDOXIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.NORDSTRAND,F.ASLUND,A.HOLMGREN,G.OTTING,K.D.BERNDT . 82 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4964.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 9.8 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 1.2 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 . 4 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.7 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 0 1 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 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 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 1 A A 0 0 83 0, 0.0 2,-0.2 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 139.2 -7.9 -9.3 6.1 2 2 A N - 0 0 79 78,-0.2 56,-2.3 2,-0.1 2,-0.6 -0.678 360.0-175.3-154.0 81.9 -4.3 -8.2 6.0 3 3 A V E +aB 28 57A 6 24,-0.6 26,-0.6 54,-0.2 2,-0.3 -0.806 8.4 180.0 -80.0 124.4 -3.8 -4.8 4.3 4 4 A E E -aB 29 56A 56 52,-2.9 52,-2.3 -2,-0.6 2,-0.3 -0.936 6.1-171.7-120.2 146.9 -0.1 -3.8 4.0 5 5 A I E -aB 30 55A 0 24,-2.4 26,-2.6 -2,-0.3 2,-0.3 -0.946 17.0-140.0-142.8 124.0 1.2 -0.6 2.5 6 6 A Y E +aB 31 54A 6 48,-2.5 48,-0.6 -2,-0.3 2,-0.3 -0.639 31.4 172.3 -75.9 137.0 4.8 0.4 1.7 7 7 A T E -a 32 0A 1 24,-2.2 26,-2.9 -2,-0.3 2,-0.3 -0.857 23.0-153.3-139.0 162.8 5.6 4.0 2.5 8 8 A K - 0 0 65 3,-0.4 3,-0.3 -2,-0.3 7,-0.3 -0.972 19.9-136.3-142.2 139.3 8.7 6.2 2.6 9 9 A E S S+ 0 0 146 -2,-0.3 2,-1.5 1,-0.3 -1,-0.2 0.963 107.4 48.8 -57.3 -55.8 9.0 9.3 4.8 10 10 A T S S+ 0 0 121 -3,-0.1 -1,-0.3 4,-0.1 -3,-0.0 -0.669 95.8 86.3 -86.2 78.2 10.6 11.3 1.9 11 11 A C >> - 0 0 21 -2,-1.5 4,-1.5 -3,-0.3 3,-0.5 -0.445 52.9-168.7-172.4 104.0 7.9 10.3 -0.6 12 12 A P H 3> S+ 0 0 101 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.853 89.8 64.1 -73.0 -29.0 4.7 12.3 -0.9 13 13 A Y H 3> S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -2,-0.0 0.856 103.0 52.1 -58.4 -33.6 3.0 9.7 -3.2 14 14 A S H <> S+ 0 0 0 -3,-0.5 4,-0.8 -6,-0.2 3,-0.3 0.966 110.1 45.4 -61.7 -54.4 3.3 7.5 -0.1 15 15 A H H >X S+ 0 0 92 -4,-1.5 4,-1.4 -7,-0.3 3,-0.7 0.838 103.7 64.9 -68.2 -30.1 1.6 10.0 2.2 16 16 A R H >X S+ 0 0 156 -4,-2.8 4,-1.5 1,-0.2 3,-1.0 0.957 99.9 52.7 -47.1 -55.0 -1.1 10.6 -0.5 17 17 A A H 3X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.3 -1,-0.2 0.750 103.3 58.6 -57.9 -26.6 -2.2 6.9 0.1 18 18 A K H S+ 0 0 0 -4,-2.9 5,-3.1 1,-0.2 -2,-0.2 0.825 117.0 45.8 -60.8 -32.4 -6.6 4.9 3.7 22 22 A S H ><5S+ 0 0 88 -4,-2.4 3,-1.6 3,-0.2 -1,-0.2 0.913 110.0 53.3 -74.3 -42.6 -7.4 7.2 6.7 23 23 A S H 3<5S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.922 114.2 43.4 -53.3 -44.5 -10.4 8.7 4.9 24 24 A K T 3<5S- 0 0 88 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.374 110.5-127.0 -81.6 1.2 -11.6 5.1 4.4 25 25 A G T < 5 - 0 0 64 -3,-1.6 -3,-0.2 -5,-0.2 2,-0.1 0.841 45.2-179.8 57.8 36.9 -10.7 4.2 8.0 26 26 A V < - 0 0 17 -5,-3.1 2,-1.2 -6,-0.2 -1,-0.2 -0.415 35.9-131.6 -83.7 149.1 -8.6 1.2 6.7 27 27 A S + 0 0 78 -2,-0.1 -24,-0.6 2,-0.0 -1,-0.1 -0.498 47.5 163.2 -93.3 57.6 -6.7 -1.2 9.0 28 28 A F E -a 3 0A 62 -2,-1.2 2,-0.5 -26,-0.1 -24,-0.2 -0.300 38.3-136.8 -73.9 168.6 -3.4 -1.0 7.0 29 29 A Q E -a 4 0A 126 -26,-0.6 -24,-2.4 -2,-0.0 2,-0.3 -0.995 26.4-142.9-127.4 106.1 0.0 -2.1 8.3 30 30 A E E -a 5 0A 69 -2,-0.5 -24,-0.2 -26,-0.2 -26,-0.0 -0.670 11.2-161.4 -84.1 136.4 2.5 0.6 7.2 31 31 A L E -a 6 0A 18 -26,-2.6 -24,-2.2 -2,-0.3 2,-0.5 -0.849 8.4-155.1-118.0 88.2 6.0 -0.4 6.1 32 32 A P E -a 7 0A 66 0, 0.0 -24,-0.2 0, 0.0 8,-0.1 -0.549 14.1-179.8 -63.2 116.4 8.4 2.6 6.2 33 33 A I + 0 0 5 -26,-2.9 3,-0.2 -2,-0.5 -25,-0.2 -0.009 65.3 88.6-102.3 18.6 11.2 1.9 3.7 34 34 A D S S+ 0 0 70 1,-0.2 2,-0.7 -27,-0.1 -1,-0.1 0.938 101.3 25.2 -71.1 -72.3 12.8 5.2 4.6 35 35 A G S S+ 0 0 78 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.080 126.0 63.9 -80.6 31.5 14.9 3.7 7.5 36 36 A N + 0 0 47 -2,-0.7 -5,-0.0 -3,-0.2 0, 0.0 -0.953 37.3 166.8-156.1 141.6 14.9 0.2 5.9 37 37 A A S > S+ 0 0 62 -2,-0.3 4,-2.3 3,-0.1 5,-0.1 0.485 77.1 69.5-126.2 -16.4 16.1 -1.6 2.7 38 38 A A H > S+ 0 0 76 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.999 109.3 32.2 -62.0 -72.1 15.5 -5.3 3.8 39 39 A K H > S+ 0 0 105 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.792 116.6 62.8 -58.6 -27.8 11.7 -5.3 3.9 40 40 A R H > S+ 0 0 66 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.962 107.2 40.3 -55.1 -57.5 11.9 -2.8 1.0 41 41 A E H X S+ 0 0 94 -4,-2.3 4,-1.1 -3,-0.5 -2,-0.2 0.684 106.9 63.7 -74.5 -13.6 13.7 -5.4 -1.2 42 42 A E H X S+ 0 0 102 -4,-1.5 4,-1.8 2,-0.2 3,-0.4 0.916 101.2 53.3 -69.8 -39.4 11.3 -8.0 0.1 43 43 A M H X>S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.3 5,-0.5 0.894 102.2 57.4 -55.0 -44.9 8.5 -5.9 -1.6 44 44 A I H X5S+ 0 0 38 -4,-1.2 4,-1.5 1,-0.3 -1,-0.2 0.857 109.7 44.7 -62.3 -33.0 10.5 -6.1 -4.8 45 45 A K H <5S+ 0 0 136 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.817 109.5 57.4 -76.1 -30.1 10.3 -9.9 -4.5 46 46 A R H <5S+ 0 0 140 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.914 133.0 0.1 -65.2 -45.3 6.5 -9.7 -3.7 47 47 A S H <5S- 0 0 36 -4,-2.2 -3,-0.2 2,-0.3 -2,-0.2 0.526 87.8-119.1-121.9 -17.1 5.5 -7.8 -6.8 48 48 A G S < S-BC 3 60A 1 3,-2.8 3,-1.7 -2,-0.3 -54,-0.2 -0.962 79.8 -15.7-136.0 114.1 -4.2 -7.1 0.6 58 58 A D T 3 S- 0 0 60 -56,-2.3 -55,-0.1 -2,-0.4 3,-0.1 0.913 127.5 -57.8 54.8 46.0 -4.1 -10.7 1.8 59 59 A A T 3 S+ 0 0 74 -57,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.222 112.8 120.5 65.1 -7.2 -0.7 -11.1 -0.1 60 60 A Q E < -C 57 0A 128 -3,-1.7 -3,-2.8 1,-0.0 -1,-0.2 -0.676 62.8-129.3 -77.3 134.2 -2.4 -10.0 -3.4 61 61 A H E -C 56 0A 65 -2,-0.4 -5,-0.3 -5,-0.2 -1,-0.0 -0.482 20.5-169.6 -76.9 154.9 -0.7 -6.9 -4.8 62 62 A I - 0 0 40 -7,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.728 30.5-126.9-100.2 -77.4 -2.6 -3.8 -5.9 63 63 A G - 0 0 3 -8,-0.3 -8,-1.0 1,-0.2 -1,-0.3 -0.897 52.7 -20.4 155.1-143.6 -0.3 -1.4 -7.7 64 64 A G S > S- 0 0 13 -2,-0.3 4,-1.8 -10,-0.2 -9,-0.2 0.088 74.0 -87.0 -81.8-165.7 0.4 2.3 -7.0 65 65 A Y H > S+ 0 0 35 2,-0.2 4,-2.8 -12,-0.2 5,-0.1 0.924 126.7 48.0 -76.8 -47.5 -1.7 4.9 -5.1 66 66 A D H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 112.1 54.1 -60.2 -37.1 -3.9 6.1 -8.0 67 67 A D H > S+ 0 0 84 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.935 109.3 46.9 -57.7 -50.9 -4.4 2.3 -8.7 68 68 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.889 108.0 55.9 -59.1 -46.8 -5.5 1.9 -5.0 69 69 A Y H X S+ 0 0 131 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.935 114.5 38.8 -51.3 -53.2 -7.9 5.0 -5.3 70 70 A A H X S+ 0 0 59 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.931 115.3 53.4 -63.6 -44.3 -9.7 3.5 -8.2 71 71 A L H <>S+ 0 0 37 -4,-2.8 5,-2.7 -5,-0.2 6,-1.8 0.822 115.0 42.7 -61.7 -32.2 -9.4 -0.0 -6.7 72 72 A D H ><5S+ 0 0 8 -4,-2.8 3,-2.2 4,-0.2 6,-0.4 0.972 114.5 47.0 -71.9 -59.0 -11.1 1.4 -3.5 73 73 A A H 3<5S+ 0 0 70 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.698 109.6 54.5 -66.4 -22.2 -13.7 3.5 -5.2 74 74 A R T 3<5S- 0 0 191 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.582 120.3-109.9 -76.8 -16.4 -14.8 0.6 -7.5 75 75 A G T < 5S+ 0 0 32 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.2 0.811 88.5 115.0 83.7 35.9 -15.3 -1.6 -4.4 76 76 A G S S+ 0 0 3 -6,-1.8 3,-1.6 -9,-0.2 4,-0.4 0.963 110.5 60.3 -73.7 -54.6 -10.4 -2.8 -1.7 78 78 A D G > S+ 0 0 100 -6,-0.4 3,-1.8 1,-0.3 4,-0.3 0.813 100.8 47.7 -50.3 -52.8 -13.5 -2.4 0.5 79 79 A P G > S+ 0 0 78 0, 0.0 3,-0.6 0, 0.0 -1,-0.3 0.631 102.7 65.1 -71.8 -11.3 -15.0 -6.0 0.6 80 80 A L G < S+ 0 0 55 -3,-1.6 -78,-0.2 -4,-0.3 -2,-0.2 0.515 83.1 75.7 -83.7 -8.0 -11.5 -7.5 1.3 81 81 A L G < 0 0 65 -3,-1.8 -1,-0.2 -4,-0.4 -3,-0.1 0.716 360.0 360.0 -70.2 -21.8 -11.6 -5.7 4.7 82 82 A K < 0 0 203 -3,-0.6 -2,-0.2 -4,-0.3 -1,-0.2 0.710 360.0 360.0 -83.9 360.0 -14.1 -8.5 5.6