==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-AUG-12 2LXR . COMPND 2 MOLECULE: NADH DEHYDROGENASE I SUBUNIT E; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR K.LEE . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 5.3 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 . 0 0.0 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 . 1 1.3 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 . 7 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 18.4 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+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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 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 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 0 194 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 44.0 2.4 0.1 -1.3 2 2 A K + 0 0 102 23,-0.1 30,-2.0 29,-0.0 2,-0.3 -0.048 360.0 70.4-117.7 29.5 5.4 -2.2 -0.6 3 3 A R E -a 32 0A 138 28,-0.3 2,-0.4 68,-0.1 30,-0.2 -0.942 62.9-143.9-142.3 162.7 5.8 -3.5 -4.2 4 4 A F E -a 33 0A 50 28,-3.0 30,-2.3 -2,-0.3 2,-1.5 -0.960 10.8-145.3-135.5 116.9 6.9 -2.2 -7.6 5 5 A D E +a 34 0A 73 -2,-0.4 4,-0.1 28,-0.2 30,-0.1 -0.618 28.6 164.5 -81.9 88.1 5.3 -3.4 -10.9 6 6 A L > + 0 0 2 -2,-1.5 3,-0.9 28,-0.9 -1,-0.2 0.492 53.0 95.6 -81.7 -3.4 8.3 -3.3 -13.2 7 7 A R G > S+ 0 0 133 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.959 89.9 37.7 -49.4 -61.6 6.4 -5.4 -15.7 8 8 A P G 3 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.536 102.3 78.4 -69.7 -5.6 5.2 -2.4 -17.7 9 9 A L G <>>S- 0 0 45 -3,-0.9 5,-0.6 1,-0.2 4,-0.5 0.159 90.2-150.1 -89.2 18.6 8.7 -0.9 -17.1 10 10 A K T <45 - 0 0 136 -3,-1.0 2,-0.3 3,-0.1 4,-0.3 0.109 35.3 -53.8 41.2-160.9 10.1 -3.2 -19.8 11 11 A A T 45S+ 0 0 41 2,-0.1 2,-0.1 1,-0.1 -1,-0.0 -0.830 114.3 31.9-111.2 149.0 13.7 -4.3 -19.4 12 12 A G T 45S+ 0 0 40 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.259 120.8 45.8 105.2 -46.0 16.8 -2.1 -18.9 13 13 A I T >X5S+ 0 0 73 -4,-0.5 4,-1.9 2,-0.1 3,-1.6 0.677 93.8 75.3-100.7 -24.7 15.1 0.7 -17.0 14 14 A F H 3>X S+ 0 0 45 -4,-1.9 4,-1.3 1,-0.2 3,-1.0 0.790 92.6 74.0 -80.3 -29.8 13.5 2.4 -11.2 18 18 A E H 3X S+ 0 0 0 -4,-1.2 4,-1.4 1,-0.3 -1,-0.2 0.777 95.7 53.7 -53.9 -26.8 13.8 -0.2 -8.4 19 19 A E H 3> S+ 0 0 60 -3,-0.4 4,-0.9 2,-0.2 -1,-0.3 0.807 99.6 60.0 -78.2 -31.4 16.1 2.3 -6.7 20 20 A L H <4 S+ 0 0 111 -3,-1.0 4,-0.3 -4,-0.4 -2,-0.2 0.818 112.1 39.6 -65.7 -31.0 13.7 5.1 -6.9 21 21 A I H >X S+ 0 0 18 -4,-1.3 4,-2.1 2,-0.2 3,-1.1 0.783 101.2 71.1 -87.6 -31.1 11.2 3.1 -4.9 22 22 A E H 3< S+ 0 0 3 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.800 92.4 61.2 -55.0 -29.5 13.8 1.7 -2.5 23 23 A K T 3< S+ 0 0 170 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.865 106.3 44.3 -66.2 -36.9 14.1 5.2 -1.1 24 24 A E T <4 S+ 0 0 146 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.879 97.7 88.1 -75.0 -39.7 10.4 5.1 -0.0 25 25 A M S < S- 0 0 9 -4,-2.1 6,-0.1 1,-0.1 -23,-0.1 -0.280 90.9-100.2 -61.0 144.3 10.7 1.6 1.4 26 26 A Q > - 0 0 112 4,-0.1 3,-1.2 1,-0.1 48,-0.2 -0.130 29.4-108.8 -62.1 161.5 11.7 1.3 5.0 27 27 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.537 120.9 27.9 -69.7 -5.7 15.3 0.4 6.0 28 28 A N T 3 S+ 0 0 112 47,-0.1 2,-0.2 2,-0.1 47,-0.1 -0.066 99.9 110.1-146.7 35.8 14.0 -3.0 7.1 29 29 A E < - 0 0 81 -3,-1.2 45,-1.9 43,-0.0 2,-0.3 -0.680 65.6-107.5-111.7 166.7 10.9 -3.6 5.0 30 30 A V E - B 0 73A 44 -2,-0.2 2,-0.5 43,-0.2 43,-0.2 -0.726 24.5-160.1 -96.3 144.0 10.1 -6.0 2.1 31 31 A A E - B 0 72A 1 41,-1.6 41,-1.3 -2,-0.3 2,-0.9 -0.963 5.5-154.4-128.4 116.2 9.8 -4.9 -1.5 32 32 A I E -aB 3 71A 33 -30,-2.0 -28,-3.0 -2,-0.5 2,-0.6 -0.778 15.2-173.1 -92.2 105.5 8.0 -7.0 -4.1 33 33 A F E -aB 4 70A 0 37,-2.5 37,-1.2 -2,-0.9 2,-0.4 -0.878 11.9-148.5-103.2 119.2 9.4 -6.3 -7.5 34 34 A M E -aB 5 69A 33 -30,-2.3 -28,-0.9 -2,-0.6 2,-0.4 -0.727 15.7-174.3 -88.8 129.6 7.6 -7.9 -10.5 35 35 A F E + B 0 68A 6 33,-2.0 33,-1.8 -2,-0.4 -28,-0.1 -0.986 19.9 178.6-128.7 126.5 9.7 -8.7 -13.5 36 36 A E + 0 0 110 -2,-0.4 2,-0.1 31,-0.3 -1,-0.1 0.703 62.3 89.6 -94.2 -24.9 8.4 -10.0 -16.8 37 37 A V S S- 0 0 25 -27,-0.2 -2,-0.0 2,-0.1 26,-0.0 -0.461 83.3-125.5 -74.9 145.0 11.8 -10.2 -18.5 38 38 A G S S+ 0 0 53 -2,-0.1 2,-1.5 1,-0.1 3,-0.2 0.647 81.3 112.2 -63.7 -13.3 13.8 -13.4 -18.2 39 39 A D + 0 0 81 1,-0.2 4,-0.3 2,-0.1 -2,-0.1 -0.448 31.5 157.3 -65.4 90.3 16.6 -11.2 -16.9 40 40 A F + 0 0 86 -2,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.714 66.4 65.5 -87.4 -23.8 16.7 -12.5 -13.3 41 41 A S S > S+ 0 0 75 1,-0.2 4,-0.6 -3,-0.2 -1,-0.2 0.704 97.0 57.7 -70.7 -19.4 20.2 -11.4 -12.7 42 42 A N H > S+ 0 0 33 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.753 89.6 73.7 -81.3 -26.1 19.1 -7.8 -13.1 43 43 A I H >> S+ 0 0 0 -3,-0.5 4,-1.1 -4,-0.3 3,-0.6 0.950 104.1 36.7 -50.7 -56.7 16.6 -8.2 -10.2 44 44 A P H 3> S+ 0 0 44 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.732 108.3 68.0 -69.8 -22.9 19.3 -8.2 -7.5 45 45 A K H 3X S+ 0 0 94 -4,-0.6 4,-1.0 2,-0.2 -2,-0.2 0.855 98.2 51.5 -65.4 -35.5 21.3 -5.6 -9.5 46 46 A S H X< S+ 0 0 0 -4,-1.7 3,-1.1 -3,-0.6 4,-0.5 0.960 108.6 47.8 -66.3 -53.2 18.6 -3.0 -8.9 47 47 A A H >X S+ 0 0 0 -4,-1.1 4,-0.8 1,-0.3 3,-0.6 0.740 107.5 60.4 -60.2 -22.5 18.5 -3.5 -5.1 48 48 A E H 3< S+ 0 0 86 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.800 84.9 75.1 -75.3 -29.9 22.3 -3.3 -5.2 49 49 A F T << S+ 0 0 111 -3,-1.1 -1,-0.2 -4,-1.0 -2,-0.2 0.773 96.0 53.3 -52.8 -26.4 22.2 0.2 -6.7 50 50 A I T <4 S- 0 0 55 -3,-0.6 2,-0.3 -4,-0.5 -1,-0.2 0.981 130.0 -23.0 -73.5 -61.1 21.2 1.3 -3.2 51 51 A Q X - 0 0 69 -4,-0.8 4,-0.9 25,-0.1 -1,-0.3 -0.936 46.9-131.8-158.4 131.7 24.1 -0.2 -1.2 52 52 A S T 4 S+ 0 0 83 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.812 104.2 48.6 -51.0 -31.7 26.5 -3.1 -1.8 53 53 A K T 4 S+ 0 0 139 1,-0.1 -1,-0.2 -5,-0.1 22,-0.1 -0.953 105.4 35.7-117.5 120.2 25.6 -4.3 1.7 54 54 A G T 4 S+ 0 0 23 -2,-0.5 2,-0.5 1,-0.3 -2,-0.1 -0.268 81.0 99.1 141.0 -52.4 22.0 -4.5 2.8 55 55 A H < + 0 0 39 -4,-0.9 2,-0.4 -8,-0.2 -1,-0.3 -0.565 45.6 167.8 -72.3 119.2 19.9 -5.6 -0.2 56 56 A E E -C 73 0A 104 17,-1.2 17,-1.6 -2,-0.5 2,-1.1 -0.961 32.2-138.9-139.5 119.3 19.2 -9.4 0.1 57 57 A L E -C 72 0A 35 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.645 16.7-170.2 -79.2 101.5 16.7 -11.3 -2.0 58 58 A L - 0 0 95 -2,-1.1 -1,-0.2 13,-0.7 2,-0.2 0.979 52.2 -74.3 -53.4 -66.8 15.1 -13.7 0.5 59 59 A N S S+ 0 0 135 12,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.542 85.2 104.4 162.5 129.6 13.2 -15.8 -2.1 60 60 A S + 0 0 42 1,-0.3 9,-0.4 -2,-0.2 10,-0.2 0.125 48.7 110.4 176.3 -35.1 10.2 -15.5 -4.4 61 61 A L - 0 0 46 7,-0.1 -1,-0.3 10,-0.1 9,-0.1 -0.415 38.3-175.8 -65.1 131.9 11.4 -14.9 -7.9 62 62 A R > - 0 0 178 -2,-0.1 3,-0.9 4,-0.1 -1,-0.1 -0.308 8.0-168.9-124.9 48.1 10.8 -17.9 -10.2 63 63 A F T 3 + 0 0 82 1,-0.2 3,-0.1 6,-0.0 4,-0.1 -0.141 63.2 74.5 -42.4 109.1 12.4 -16.7 -13.4 64 64 A N T 3 S+ 0 0 139 1,-0.5 -1,-0.2 2,-0.3 2,-0.1 0.109 93.8 30.0 171.3 -32.7 11.2 -19.3 -15.9 65 65 A Q S < S- 0 0 148 -3,-0.9 -1,-0.5 1,-0.4 3,-0.2 -0.348 104.4 -22.0-124.8-154.6 7.6 -18.5 -16.7 66 66 A A S S- 0 0 59 1,-0.2 -1,-0.4 -2,-0.1 -2,-0.3 0.104 99.5 -49.4 -48.7 170.0 5.3 -15.5 -16.9 67 67 A D S S- 0 0 33 -3,-0.1 -31,-0.3 -33,-0.1 -1,-0.2 -0.181 70.5-169.7 -47.5 126.8 6.2 -12.3 -15.0 68 68 A W E -B 35 0A 102 -33,-1.8 -33,-2.0 -3,-0.2 2,-0.3 -0.482 15.0-117.0-112.3-175.8 7.0 -13.3 -11.4 69 69 A T E -B 34 0A 39 -9,-0.4 2,-0.4 -35,-0.2 -35,-0.2 -0.942 16.9-161.2-127.8 149.0 7.7 -11.4 -8.1 70 70 A I E -B 33 0A 0 -37,-1.2 -37,-2.5 -2,-0.3 2,-0.4 -0.995 13.6-137.4-133.2 133.8 10.7 -11.1 -5.9 71 71 A V E -B 32 0A 26 -2,-0.4 -13,-0.7 -39,-0.2 2,-0.5 -0.749 18.3-167.0 -91.8 131.5 10.9 -10.0 -2.2 72 72 A V E -BC 31 57A 1 -41,-1.3 -41,-1.6 -2,-0.4 2,-0.5 -0.973 7.2-153.3-122.8 125.4 13.7 -7.6 -1.2 73 73 A R E -BC 30 56A 108 -17,-1.6 -17,-1.2 -2,-0.5 -43,-0.2 -0.847 13.6-144.0-100.1 124.8 14.7 -6.9 2.4 74 74 A K + 0 0 36 -45,-1.9 -19,-0.1 -2,-0.5 -20,-0.1 -0.456 42.2 134.2 -83.6 157.7 16.3 -3.5 3.1 75 75 A K 0 0 139 1,-0.4 -1,-0.1 -2,-0.1 -21,-0.1 0.235 360.0 360.0-168.4 -38.2 19.0 -3.0 5.7 76 76 A A 0 0 46 -25,-0.1 -1,-0.4 -24,-0.0 -22,-0.3 -0.679 360.0 360.0-168.9 360.0 21.8 -0.9 4.2