==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 20-JAN-10 3LGC . COMPND 2 MOLECULE: GLUTAREDOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. . AUTHOR N.MALTSEVA,Y.KIM,L.PAPAZISI,W.F.ANDERSON,A.JOACHIMIAK . 89 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 11.2 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 1.1 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 1 0 0 0 0 0 1 0 1 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 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 -2 A S 0 0 154 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -90.5 37.0 -11.8 9.8 2 -1 A N + 0 0 149 2,-0.1 2,-0.1 0, 0.0 0, 0.0 0.298 360.0 94.1 -96.3 -4.4 34.4 -10.9 12.5 3 0 A A S S- 0 0 66 86,-0.1 2,-0.4 1,-0.1 26,-0.0 -0.353 88.7 -94.4 -82.2 167.8 36.3 -7.6 12.6 4 1 A X - 0 0 21 -2,-0.1 2,-1.3 26,-0.1 -1,-0.1 -0.694 24.2-129.5 -87.6 137.1 35.4 -4.5 10.7 5 2 A K - 0 0 124 -2,-0.4 63,-2.6 -4,-0.1 2,-0.6 -0.725 36.6-175.2 -80.4 96.1 37.0 -3.7 7.3 6 3 A V E -A 67 0A 6 -2,-1.3 26,-3.0 24,-0.4 2,-0.5 -0.848 10.1-178.6-103.5 123.1 38.1 -0.1 8.1 7 4 A K E -Ab 66 32A 45 59,-2.8 59,-3.0 -2,-0.6 2,-0.4 -0.981 3.2-174.5-121.1 127.7 39.7 1.9 5.3 8 5 A I E -Ab 65 33A 0 24,-2.4 26,-2.6 -2,-0.5 2,-0.5 -0.973 12.4-155.9-129.1 121.6 40.8 5.5 6.0 9 6 A Y E +Ab 64 34A 48 55,-2.7 55,-1.7 -2,-0.4 2,-0.2 -0.820 29.8 161.7 -95.7 132.0 42.2 7.9 3.4 10 7 A T E - b 0 35A 1 24,-2.4 26,-2.7 -2,-0.5 2,-0.3 -0.794 26.9-155.2-138.1 175.0 44.4 10.6 4.9 11 8 A R > - 0 0 83 -2,-0.2 3,-0.5 24,-0.2 2,-0.2 -0.888 34.5 -89.0-143.5 177.2 47.0 13.3 4.3 12 9 A N T 3 S+ 0 0 89 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.628 103.0 27.7 -93.1 154.4 49.7 15.0 6.3 13 10 A G T 3 S+ 0 0 75 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.798 87.0 133.9 65.7 35.5 49.4 18.1 8.4 14 11 A a X> - 0 0 6 -3,-0.5 4,-1.6 1,-0.2 3,-1.3 -0.857 38.4-172.4-120.6 91.8 45.8 17.1 8.8 15 12 A P H 3> S+ 0 0 71 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.893 89.2 54.7 -51.8 -44.4 44.6 17.4 12.5 16 13 A Y H 3> S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.822 104.5 54.8 -62.6 -27.3 41.3 15.8 11.7 17 14 A a H <> S+ 0 0 5 -3,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.850 111.1 44.6 -71.9 -37.7 43.1 12.8 10.1 18 15 A V H X S+ 0 0 77 -4,-1.6 4,-2.2 -3,-0.4 -2,-0.2 0.919 112.6 51.8 -67.8 -45.8 45.1 12.3 13.4 19 16 A W H X S+ 0 0 123 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.895 110.9 47.4 -61.7 -43.8 41.9 12.7 15.5 20 17 A A H >X S+ 0 0 0 -4,-2.3 3,-1.5 -5,-0.2 4,-1.5 0.981 110.4 52.5 -55.1 -60.2 40.0 10.2 13.4 21 18 A K H 3X S+ 0 0 56 -4,-1.9 4,-2.6 1,-0.3 -2,-0.2 0.847 108.1 51.0 -46.5 -42.6 42.9 7.7 13.6 22 19 A Q H 3X S+ 0 0 78 -4,-2.2 4,-2.8 1,-0.3 -1,-0.3 0.710 98.4 64.2 -83.8 -15.2 43.1 7.9 17.3 23 20 A W H S+ 0 0 0 -4,-1.5 5,-1.8 2,-0.2 3,-0.4 0.947 115.0 54.1 -64.2 -46.5 40.0 3.9 16.3 25 22 A E H ><5S+ 0 0 101 -4,-2.6 3,-1.4 1,-0.3 -2,-0.2 0.910 111.0 42.6 -55.6 -48.9 43.2 3.5 18.2 26 23 A E H 3<5S+ 0 0 135 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.694 115.4 52.1 -77.1 -13.4 41.8 4.2 21.6 27 24 A N T 3<5S- 0 0 38 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.296 114.5-118.7 -97.7 8.0 38.8 2.0 20.7 28 25 A N T < 5 + 0 0 141 -3,-1.4 2,-0.5 -4,-0.2 -3,-0.2 0.935 62.8 145.3 54.4 57.0 41.1 -0.8 19.7 29 26 A I < - 0 0 14 -5,-1.8 -1,-0.2 -26,-0.0 -2,-0.1 -0.931 41.6-140.6-130.7 108.9 40.0 -1.0 16.1 30 27 A A + 0 0 89 -2,-0.5 -24,-0.4 -5,-0.0 2,-0.3 -0.368 26.0 178.8 -70.6 142.9 42.5 -1.9 13.4 31 28 A F - 0 0 51 -26,-0.1 2,-0.7 -2,-0.1 -24,-0.2 -0.941 32.6-118.8-143.2 160.8 42.3 -0.0 10.1 32 29 A D E -b 7 0A 93 -26,-3.0 -24,-2.4 -2,-0.3 2,-0.5 -0.909 33.6-159.7-102.3 109.0 44.1 0.2 6.7 33 30 A E E -b 8 0A 62 -2,-0.7 2,-0.5 -26,-0.2 -24,-0.2 -0.777 10.2-169.8 -93.1 131.7 45.4 3.7 6.3 34 31 A T E -b 9 0A 45 -26,-2.6 -24,-2.4 -2,-0.5 2,-0.3 -0.952 11.7-156.0-115.7 114.3 46.2 5.1 2.8 35 32 A I E -b 10 0A 82 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.694 8.5-169.2 -90.6 143.1 48.1 8.4 2.9 36 33 A I + 0 0 23 -26,-2.7 -24,-0.1 -2,-0.3 6,-0.1 -0.821 10.7 171.5-131.2 94.0 47.9 10.8 -0.0 37 34 A D + 0 0 108 -2,-0.4 -1,-0.2 -26,-0.1 -25,-0.1 0.973 51.5 82.0 -67.1 -56.4 50.4 13.5 0.3 38 35 A D > - 0 0 85 1,-0.1 4,-2.4 2,-0.1 5,-0.2 -0.253 65.9-147.4 -66.7 127.8 50.3 15.3 -3.1 39 36 A Y H > S+ 0 0 177 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.926 101.0 52.3 -52.2 -50.3 47.5 17.8 -3.5 40 37 A A H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 109.3 49.5 -55.2 -46.1 47.3 17.0 -7.2 41 38 A Q H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 109.4 50.4 -61.7 -45.6 47.0 13.3 -6.5 42 39 A R H X S+ 0 0 31 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.916 107.1 56.3 -58.2 -44.9 44.2 13.8 -3.9 43 40 A S H X S+ 0 0 50 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.957 106.8 47.9 -52.1 -53.7 42.3 15.9 -6.4 44 41 A K H X S+ 0 0 116 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.881 111.6 53.1 -54.0 -41.1 42.4 13.0 -9.0 45 42 A F H X S+ 0 0 23 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.923 104.6 51.1 -61.7 -51.5 41.2 10.7 -6.2 46 43 A Y H X S+ 0 0 21 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.960 112.0 50.6 -50.7 -50.2 38.2 12.8 -5.2 47 44 A D H X S+ 0 0 98 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.931 113.6 43.6 -54.3 -50.0 37.2 12.9 -8.9 48 45 A E H X S+ 0 0 140 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.957 117.1 45.1 -61.6 -53.4 37.5 9.1 -9.2 49 46 A X H >X>S+ 0 0 19 -4,-3.3 3,-1.0 1,-0.2 4,-1.0 0.903 109.0 54.9 -57.1 -47.3 35.8 8.3 -6.0 50 47 A N H ><5S+ 0 0 55 -4,-3.1 3,-0.6 -5,-0.3 -1,-0.2 0.927 110.6 47.2 -57.3 -42.5 32.9 10.7 -6.5 51 48 A Q H 3<5S+ 0 0 174 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.623 102.0 67.0 -69.9 -16.6 32.2 9.1 -10.0 52 49 A S H <<5S- 0 0 60 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.766 94.2-134.9 -81.3 -27.3 32.3 5.6 -8.5 53 50 A G T <<5S+ 0 0 62 -4,-1.0 -3,-0.1 -3,-0.6 -2,-0.1 0.555 74.5 115.9 81.8 7.3 29.2 5.8 -6.3 54 51 A K < + 0 0 147 -5,-0.6 17,-0.5 16,-0.1 2,-0.3 0.517 65.9 76.4 -75.7 -5.4 31.0 4.2 -3.3 55 52 A V - 0 0 21 -6,-0.4 11,-0.0 -5,-0.2 15,-0.0 -0.836 68.2-154.1-119.3 141.2 30.5 7.5 -1.6 56 53 A I S S+ 0 0 122 -2,-0.3 -1,-0.1 1,-0.2 -6,-0.0 0.520 85.6 20.8 -96.4 -10.4 27.2 8.9 -0.1 57 54 A F S S- 0 0 58 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.966 98.1 -89.4-150.5 151.6 28.2 12.5 -0.5 58 55 A P - 0 0 100 0, 0.0 -12,-0.0 0, 0.0 -2,-0.0 -0.399 47.2-154.8 -65.3 128.3 30.7 14.3 -2.8 59 56 A I + 0 0 6 -13,-0.2 3,-0.1 -2,-0.2 15,-0.0 0.980 30.5 162.2 -77.6 -88.4 33.9 14.3 -0.8 60 57 A S + 0 0 84 -18,-0.1 2,-0.3 -17,-0.1 -1,-0.1 0.261 63.9 49.4 87.8 -9.3 36.6 17.0 -1.5 61 58 A T S S- 0 0 80 2,-0.1 -1,-0.1 -15,-0.0 0, 0.0 -0.964 79.9 -82.3-145.3 165.3 38.6 16.6 1.8 62 59 A V S S+ 0 0 7 -2,-0.3 -45,-0.2 -3,-0.1 -46,-0.2 -0.938 82.9 61.2-119.6 156.5 40.2 14.1 4.1 63 60 A P + 0 0 7 0, 0.0 2,-0.4 0, 0.0 -53,-0.2 0.248 61.0 176.8 -70.6 154.9 39.9 12.1 6.2 64 61 A Q E -A 9 0A 3 -55,-1.7 -55,-2.7 -2,-0.2 2,-0.4 -0.996 10.3-160.2-127.6 133.1 37.5 9.8 4.5 65 62 A I E -AC 8 73A 0 8,-2.3 7,-3.1 -2,-0.4 8,-1.3 -0.908 11.7-175.3-118.8 137.2 36.3 6.6 6.2 66 63 A F E -AC 7 71A 15 -59,-3.0 -59,-2.8 -2,-0.4 2,-0.5 -0.991 3.3-169.7-126.3 134.8 34.9 3.4 5.0 67 64 A I E > S-AC 6 70A 2 3,-2.2 3,-1.2 -2,-0.4 -61,-0.2 -0.986 77.4 -18.4-125.5 121.2 33.6 0.6 7.1 68 65 A D T 3 S- 0 0 58 -63,-2.6 -1,-0.1 -2,-0.5 -62,-0.1 0.859 128.7 -52.4 55.8 39.2 32.8 -2.7 5.5 69 66 A D T 3 S+ 0 0 125 -64,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.770 111.2 123.0 71.5 23.5 32.5 -0.9 2.2 70 67 A E E < -C 67 0A 112 -3,-1.2 -3,-2.2 -15,-0.0 -1,-0.2 -0.988 65.8-124.0-117.8 125.8 30.1 1.8 3.4 71 68 A H E +C 66 0A 10 -2,-0.5 -5,-0.2 -17,-0.5 -16,-0.0 -0.474 34.5 170.5 -60.2 128.0 31.1 5.3 3.1 72 69 A I E - 0 0 19 -7,-3.1 2,-0.4 1,-0.2 -1,-0.2 0.766 31.3-145.4-101.7 -55.6 30.9 6.8 6.6 73 70 A G E -C 65 0A 0 -8,-1.3 -8,-2.3 4,-0.1 -1,-0.2 -0.981 33.7 -23.8 133.2-138.0 32.5 10.2 5.9 74 71 A G S > S- 0 0 9 -2,-0.4 4,-2.6 -10,-0.2 -10,-0.1 -0.223 78.8 -74.0 -99.5-167.2 34.8 12.5 7.8 75 72 A F H > S+ 0 0 40 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.896 130.6 52.6 -57.6 -43.1 35.4 12.9 11.5 76 73 A T H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 111.7 48.0 -67.2 -34.5 32.1 14.7 12.2 77 74 A E H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 111.5 52.0 -63.1 -43.1 30.4 11.7 10.5 78 75 A L H >< S+ 0 0 0 -4,-2.6 3,-0.9 2,-0.2 4,-0.4 0.979 109.0 47.1 -56.9 -59.8 32.5 9.4 12.5 79 76 A K H >< S+ 0 0 114 -4,-3.3 3,-1.0 1,-0.3 4,-0.3 0.868 109.6 55.9 -52.1 -40.7 31.5 11.0 15.9 80 77 A A H 3< S+ 0 0 74 -4,-2.0 3,-0.3 -5,-0.3 -1,-0.3 0.848 115.9 36.4 -55.4 -39.5 27.9 10.9 14.8 81 78 A N T S+ 0 0 15 -3,-1.0 4,-2.2 -4,-0.4 -1,-0.2 0.861 80.5 40.9 -50.3 -44.0 30.4 6.4 17.1 83 80 A D H > S+ 0 0 107 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.960 108.3 56.1 -70.5 -53.1 27.8 4.1 18.7 84 81 A K H 4 S+ 0 0 150 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.905 115.5 44.5 -45.7 -41.3 26.5 2.3 15.7 85 82 A I H >< S+ 0 0 6 -4,-2.5 3,-1.9 1,-0.2 -1,-0.3 0.898 108.8 50.4 -73.3 -47.4 30.0 1.4 15.1 86 83 A L H >< S+ 0 0 57 -4,-2.2 3,-0.7 1,-0.3 -1,-0.2 0.714 105.6 59.3 -65.8 -19.9 31.1 0.3 18.6 87 84 A N T 3< S+ 0 0 138 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.307 94.6 69.9 -91.3 10.3 28.1 -1.9 18.8 88 85 A K T < 0 0 88 -3,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.422 360.0 360.0-101.3 -3.9 29.5 -3.7 15.7 89 86 A K < 0 0 147 -3,-0.7 -86,-0.1 -4,-0.2 -60,-0.0 -0.418 360.0 360.0 -73.3 360.0 32.6 -5.4 17.4