==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 03-JUL-01 1H75 . COMPND 2 MOLECULE: GLUTAREDOXIN-LIKE PROTEIN NRDH; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.STEHR,G.SCHNEIDER,F.ASLUND,A.HOLMGREN,Y.LINDQVIST . 76 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 13.2 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 1.3 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 . 5 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.6 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 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 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 0 2 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 M 0 0 152 0, 0.0 2,-0.3 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 123.6 -10.0 15.3 8.1 2 2 A R - 0 0 170 26,-0.0 55,-0.7 2,-0.0 2,-0.5 -0.588 360.0-164.3 -80.0 132.8 -7.4 16.1 5.5 3 3 A I E -A 56 0A 7 -2,-0.3 26,-2.5 24,-0.3 2,-0.5 -0.981 7.5-172.9-117.1 121.2 -3.8 16.6 6.6 4 4 A T E -Ab 55 29A 6 51,-2.6 51,-2.4 -2,-0.5 2,-0.6 -0.972 9.0-160.4-117.7 132.5 -1.5 18.2 4.1 5 5 A I E -Ab 54 30A 0 24,-2.8 26,-2.2 -2,-0.5 2,-0.6 -0.961 8.2-152.2-112.3 117.7 2.3 18.5 4.6 6 6 A Y E +Ab 53 31A 44 47,-3.5 47,-1.7 -2,-0.6 2,-0.2 -0.812 35.6 170.9 -88.3 123.7 4.0 21.2 2.5 7 7 A T E - b 0 32A 17 24,-2.4 26,-2.4 -2,-0.6 27,-0.5 -0.685 34.5-151.8-134.6 178.4 7.5 19.9 2.0 8 8 A R > - 0 0 114 -2,-0.2 3,-0.9 24,-0.2 6,-0.1 -0.983 33.4-106.2-148.6 147.7 11.0 20.1 0.4 9 9 A N T 3 S+ 0 0 124 -2,-0.3 3,-0.1 1,-0.2 5,-0.0 -0.398 105.3 27.5 -73.8 155.9 13.6 17.5 -0.4 10 10 A D T 3 S+ 0 0 169 1,-0.2 2,-0.7 -2,-0.1 -1,-0.2 0.743 88.7 133.3 65.1 21.9 16.7 17.5 1.9 11 11 A a <> - 0 0 25 -3,-0.9 4,-2.0 1,-0.2 -1,-0.2 -0.913 40.1-168.0-108.2 108.2 14.5 19.0 4.6 12 12 A V H > S+ 0 0 123 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.899 87.2 51.0 -63.9 -43.0 15.2 17.1 7.9 13 13 A Q H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.805 109.2 53.2 -65.9 -28.2 12.2 18.6 9.8 14 14 A a H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 110.4 45.7 -70.1 -46.8 10.0 17.6 6.9 15 15 A H H X S+ 0 0 126 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.917 110.8 53.6 -62.9 -41.9 11.1 14.0 7.0 16 16 A A H X S+ 0 0 27 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.908 109.5 49.5 -59.2 -41.4 10.8 13.9 10.8 17 17 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.920 110.7 47.9 -64.4 -45.1 7.2 15.1 10.4 18 18 A K H X S+ 0 0 76 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.941 113.7 47.9 -60.5 -49.2 6.3 12.5 7.7 19 19 A R H X S+ 0 0 118 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.883 110.1 52.6 -59.1 -41.9 7.8 9.7 9.8 20 20 A A H X S+ 0 0 7 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.898 110.7 47.0 -63.6 -41.3 6.0 11.0 12.9 21 21 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.6 0.909 112.6 49.1 -67.8 -40.5 2.7 10.9 11.1 22 22 A E H ><5S+ 0 0 74 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.881 105.1 58.8 -65.2 -35.9 3.4 7.4 9.7 23 23 A N H 3<5S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.764 109.6 45.0 -64.6 -23.3 4.3 6.2 13.2 24 24 A R T <<5S- 0 0 78 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.276 115.6-112.6-103.1 7.7 0.8 7.2 14.3 25 25 A G T < 5 + 0 0 63 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.799 60.8 157.7 66.9 30.7 -1.1 5.7 11.4 26 26 A F < - 0 0 20 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.2 -0.606 37.5-136.1 -87.4 146.6 -2.2 9.1 10.0 27 27 A D + 0 0 148 -2,-0.2 2,-0.3 2,-0.0 -24,-0.3 -0.862 37.2 157.8 -99.4 136.5 -3.2 9.5 6.4 28 28 A F - 0 0 52 -2,-0.4 2,-0.3 -26,-0.1 -24,-0.2 -0.975 34.8-130.5-152.9 163.3 -1.8 12.7 4.7 29 29 A E E -b 4 0A 71 -26,-2.5 -24,-2.8 -2,-0.3 2,-0.4 -0.852 20.8-145.2-114.4 151.0 -1.0 14.2 1.4 30 30 A M E -b 5 0A 72 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.936 10.1-169.3-119.9 144.5 2.3 15.8 0.6 31 31 A I E -b 6 0A 43 -26,-2.2 -24,-2.4 -2,-0.4 2,-0.7 -0.962 18.7-140.2-134.3 115.7 2.9 18.8 -1.7 32 32 A N E > -b 7 0A 24 -2,-0.4 4,-1.4 -26,-0.2 3,-0.5 -0.663 8.7-156.0 -77.1 114.1 6.5 19.7 -2.7 33 33 A V T 4 S+ 0 0 6 -26,-2.4 7,-0.4 -2,-0.7 -1,-0.2 0.654 91.5 55.8 -67.6 -17.2 6.7 23.5 -2.6 34 34 A D T 4 S+ 0 0 85 -27,-0.5 -1,-0.2 1,-0.1 -26,-0.1 0.831 112.2 41.8 -82.1 -33.6 9.6 23.6 -5.0 35 35 A R T 4 S+ 0 0 209 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.666 121.7 43.8 -83.1 -19.2 7.6 21.7 -7.6 36 36 A V >X + 0 0 60 -4,-1.4 4,-1.5 1,-0.1 3,-1.3 -0.693 63.6 174.4-129.3 78.3 4.5 23.7 -6.9 37 37 A P H 3> S+ 0 0 72 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.741 77.2 68.6 -56.6 -25.5 5.4 27.4 -6.6 38 38 A E H 3> S+ 0 0 155 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.920 103.4 44.2 -60.5 -40.6 1.7 28.3 -6.3 39 39 A A H <> S+ 0 0 13 -3,-1.3 4,-2.8 2,-0.2 5,-0.2 0.910 111.1 53.3 -70.2 -42.1 1.7 26.6 -2.9 40 40 A A H X S+ 0 0 16 -4,-1.5 4,-2.5 -7,-0.4 -2,-0.2 0.942 111.5 46.6 -57.3 -46.7 5.0 28.2 -1.9 41 41 A E H X S+ 0 0 114 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.911 111.7 50.6 -62.8 -43.3 3.6 31.6 -2.7 42 42 A A H X S+ 0 0 56 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.894 110.9 48.8 -62.2 -42.5 0.3 30.9 -0.8 43 43 A L H ><>S+ 0 0 17 -4,-2.8 5,-1.8 1,-0.2 3,-0.7 0.900 109.8 51.8 -65.5 -41.0 2.3 29.8 2.3 44 44 A R H ><5S+ 0 0 155 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.897 105.7 55.3 -62.5 -35.4 4.5 32.9 2.1 45 45 A A H 3<5S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.725 105.0 53.5 -69.0 -21.6 1.3 35.1 2.0 46 46 A Q T <<5S- 0 0 151 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.282 123.7-106.9 -93.3 3.9 0.1 33.4 5.2 47 47 A G T < 5 + 0 0 52 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.450 64.2 152.5 89.1 3.1 3.4 34.3 6.9 48 48 A F < + 0 0 40 -5,-1.8 -1,-0.3 1,-0.1 3,-0.1 -0.404 16.6 176.5 -69.6 143.6 5.2 31.0 7.0 49 49 A R + 0 0 241 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.322 59.2 40.3-128.7 3.0 9.0 31.2 7.0 50 50 A Q S S- 0 0 91 2,-0.1 13,-0.2 13,-0.0 -1,-0.1 -0.975 81.9 -74.4-149.4 161.2 10.1 27.6 7.5 51 51 A L S S+ 0 0 33 -2,-0.3 13,-0.2 11,-0.2 -38,-0.2 -0.783 86.9 39.0-113.9 157.6 9.3 24.1 6.3 52 52 A P - 0 0 0 0, 0.0 11,-2.0 0, 0.0 2,-0.5 0.643 62.8-165.3 -78.6 172.9 7.4 21.9 6.6 53 53 A V E -AC 6 62A 1 -47,-1.7 -47,-3.5 9,-0.2 2,-0.5 -0.995 5.4-160.5-119.7 128.6 4.0 23.6 6.8 54 54 A V E -AC 5 61A 0 7,-3.0 7,-2.0 -2,-0.5 2,-0.5 -0.946 7.4-174.0-112.2 129.2 1.2 21.3 8.1 55 55 A I E +AC 4 60A 54 -51,-2.4 -51,-2.6 -2,-0.5 2,-0.3 -0.991 14.8 157.0-122.3 125.3 -2.4 22.3 7.4 56 56 A A E > -AC 3 59A 2 3,-2.6 3,-2.4 -2,-0.5 -53,-0.2 -0.847 64.6 -54.0-151.9 107.8 -5.1 20.1 9.0 57 57 A G T 3 S- 0 0 57 -55,-0.7 -1,-0.1 -2,-0.3 -54,-0.0 -0.435 123.5 -15.4 61.3-127.0 -8.6 21.4 9.7 58 58 A D T 3 S+ 0 0 170 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.500 120.4 94.6 -85.2 -8.7 -8.2 24.6 11.8 59 59 A L E < +C 56 0A 30 -3,-2.4 -3,-2.6 12,-0.0 2,-0.3 -0.657 43.5 166.1 -89.9 144.1 -4.6 23.9 12.6 60 60 A S E +C 55 0A 67 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.882 10.1 151.5-157.2 119.9 -1.6 25.2 10.7 61 61 A W E -C 54 0A 10 -7,-2.0 -7,-3.0 -2,-0.3 2,-0.3 -0.943 28.5-134.6-146.9 168.1 2.0 25.2 11.8 62 62 A S E +C 53 0A 28 -2,-0.3 -9,-0.2 -9,-0.2 -11,-0.2 -0.860 60.9 24.9-125.8 160.2 5.6 25.1 10.6 63 63 A G S S- 0 0 2 -11,-2.0 2,-0.7 -2,-0.3 -9,-0.1 -0.131 105.9 -43.2 79.0 176.3 8.7 23.2 11.5 64 64 A F + 0 0 74 -13,-0.2 3,-0.1 1,-0.0 -50,-0.1 -0.746 65.3 171.1 -82.8 112.9 8.8 19.8 13.2 65 65 A R >> + 0 0 99 -2,-0.7 4,-2.3 1,-0.1 3,-0.9 -0.760 16.1 176.6-128.8 84.3 6.2 20.0 16.0 66 66 A P H 3> S+ 0 0 51 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.869 84.9 57.7 -52.9 -39.4 5.6 16.6 17.7 67 67 A D H 34 S+ 0 0 83 1,-0.2 4,-0.2 2,-0.2 -2,-0.0 0.830 109.2 42.7 -64.4 -33.3 3.2 18.4 20.0 68 68 A M H X4 S+ 0 0 28 -3,-0.9 3,-1.2 2,-0.2 -1,-0.2 0.836 109.3 57.7 -80.1 -33.2 1.0 19.7 17.2 69 69 A I H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.886 100.1 59.8 -62.2 -36.5 1.2 16.4 15.4 70 70 A N G >< S+ 0 0 74 -4,-2.0 3,-1.0 1,-0.3 -1,-0.3 0.690 91.8 67.6 -66.1 -17.1 -0.3 14.8 18.5 71 71 A R G < S+ 0 0 162 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.524 88.0 69.9 -79.5 -2.6 -3.3 17.1 18.1 72 72 A L G < + 0 0 9 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.385 65.7 126.4 -92.7 1.3 -4.2 15.1 14.9 73 73 A H S < S- 0 0 101 -3,-1.0 -3,-0.0 1,-0.1 -47,-0.0 -0.338 70.0 -99.2 -60.8 139.9 -5.2 11.9 16.7 74 74 A P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.278 29.7-121.7 -66.9 144.4 -8.7 10.8 15.7 75 75 A A 0 0 86 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.385 360.0 360.0 -75.5 159.9 -11.8 11.5 17.7 76 76 A P 0 0 204 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.262 360.0 360.0 -61.3 360.0 -13.9 8.6 18.9