==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-MAY-07 2Z1N . COMPND 2 MOLECULE: DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR T.ICHIMURA,A.YAMAMURA,F.MIMOTO,J.OHTSUKA,K.MIYAZONO,M.OKAI,M . 480 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.1 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 1 1 2 0 0 0 1 3 2 3 3 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 4 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 208 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -83.9 31.5 -1.7 -20.6 2 2 A D - 0 0 92 1,-0.2 219,-0.1 2,-0.1 28,-0.0 -0.797 360.0-168.5 -92.6 109.6 29.1 -4.3 -19.1 3 3 A L - 0 0 17 -2,-0.8 217,-3.2 217,-0.1 218,-0.3 0.672 24.8-140.8 -72.6 -14.3 30.0 -4.5 -15.4 4 4 A G + 0 0 22 215,-0.2 -1,-0.1 216,-0.1 -2,-0.1 0.803 66.9 117.3 60.0 34.1 27.9 -7.6 -15.1 5 5 A I > + 0 0 0 25,-0.4 3,-2.3 22,-0.1 -1,-0.1 0.233 30.9 143.8-113.6 14.9 26.5 -6.7 -11.7 6 6 A Q T 3 S+ 0 0 114 1,-0.3 26,-0.2 26,-0.1 25,-0.2 -0.293 76.1 8.2 -53.8 129.0 22.8 -6.5 -12.7 7 7 A G T 3 S+ 0 0 40 24,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.389 95.8 131.0 81.4 -5.8 20.6 -7.8 -9.8 8 8 A K < - 0 0 54 -3,-2.3 25,-2.4 1,-0.1 2,-0.6 -0.578 59.5-118.7 -78.3 152.1 23.5 -8.1 -7.3 9 9 A L E -a 33 0A 1 76,-0.4 78,-2.7 23,-0.2 79,-2.3 -0.812 25.5-165.7 -94.5 120.3 23.0 -6.6 -3.9 10 10 A A E -ab 34 88A 0 23,-2.9 25,-2.6 -2,-0.6 2,-0.5 -0.882 6.4-156.0-104.5 122.6 25.4 -3.8 -2.8 11 11 A V E -ab 35 89A 0 77,-2.8 79,-2.8 -2,-0.5 2,-0.4 -0.884 15.5-173.9 -93.1 128.0 25.5 -2.8 0.8 12 12 A V E > -ab 36 90A 0 23,-2.5 25,-2.3 -2,-0.5 3,-0.5 -0.975 11.1-151.9-130.6 114.7 26.8 0.8 1.2 13 13 A T E 3 S+a 37 0A 0 77,-2.1 25,-0.2 -2,-0.4 80,-0.0 -0.514 85.1 20.3 -83.6 160.9 27.6 2.4 4.6 14 14 A A T > S+ 0 0 34 23,-0.7 7,-0.6 -2,-0.1 3,-0.5 0.926 85.8 152.2 42.5 49.8 27.3 6.2 5.0 15 15 A G T < + 0 0 0 22,-2.2 23,-0.2 -3,-0.5 -1,-0.1 0.446 43.3 79.4 -95.4 3.0 25.1 5.9 1.9 16 16 A S T 3 S- 0 0 21 21,-0.3 2,-0.3 1,-0.0 -1,-0.2 0.690 109.1 -11.6 -81.3 -18.4 22.8 8.9 2.5 17 17 A S S X> S+ 0 0 71 -3,-0.5 4,-2.1 30,-0.0 3,-0.5 -0.908 103.8 32.0-160.3-176.4 25.3 11.4 1.1 18 18 A G H 3> S- 0 0 49 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.095 115.8 -20.1 61.0-147.2 29.0 11.9 0.1 19 19 A L H 3> S+ 0 0 15 172,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.847 136.2 57.7 -70.3 -30.7 31.0 9.2 -1.5 20 20 A G H <> S+ 0 0 0 -3,-0.5 4,-2.7 -6,-0.5 -5,-0.3 0.968 110.7 43.4 -59.4 -51.8 28.7 6.4 -0.1 21 21 A F H X S+ 0 0 13 -4,-2.1 4,-2.7 -7,-0.6 -2,-0.2 0.913 113.4 50.3 -57.7 -47.5 25.8 8.0 -1.9 22 22 A A H X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.897 112.5 48.4 -60.3 -41.0 27.7 8.6 -5.1 23 23 A S H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.919 110.7 50.8 -62.6 -47.3 28.9 5.0 -5.1 24 24 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.925 110.0 50.0 -59.0 -46.7 25.4 3.7 -4.5 25 25 A L H X S+ 0 0 26 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.919 110.5 48.1 -59.6 -48.6 24.0 5.7 -7.4 26 26 A E H X S+ 0 0 48 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.913 112.2 50.4 -60.1 -41.5 26.6 4.5 -9.9 27 27 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 3,-1.0 0.942 109.8 49.9 -61.7 -43.1 26.0 0.9 -8.8 28 28 A A H ><5S+ 0 0 4 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.877 104.1 58.9 -63.5 -37.5 22.3 1.3 -9.2 29 29 A R H 3<5S+ 0 0 128 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.775 105.2 52.1 -60.3 -25.1 22.9 2.8 -12.7 30 30 A N T <<5S- 0 0 35 -4,-1.0 -25,-0.4 -3,-1.0 -1,-0.3 0.267 130.2 -96.2 -95.0 11.9 24.6 -0.6 -13.4 31 31 A G T < 5S+ 0 0 35 -3,-2.1 -24,-2.9 1,-0.3 -3,-0.2 0.492 72.8 148.8 90.1 6.2 21.6 -2.6 -12.3 32 32 A A < - 0 0 4 -5,-2.1 27,-0.3 -26,-0.2 -1,-0.3 -0.474 45.3-129.9 -69.9 141.7 22.6 -3.3 -8.7 33 33 A R E -a 9 0A 52 -25,-2.4 -23,-2.9 -2,-0.2 2,-0.4 -0.604 33.4-138.9 -79.2 149.1 20.0 -3.6 -5.9 34 34 A L E -ac 10 60A 1 25,-2.6 27,-2.4 -2,-0.2 2,-0.4 -0.908 27.8-174.2-120.9 145.4 21.0 -1.4 -2.9 35 35 A L E -ac 11 61A 0 -25,-2.6 -23,-2.5 -2,-0.4 2,-0.3 -0.951 23.7-160.9-129.8 111.5 20.9 -1.6 0.8 36 36 A L E -ac 12 62A 0 25,-3.1 27,-2.6 -2,-0.4 2,-0.4 -0.732 5.9-166.6 -99.2 141.5 21.9 1.8 2.3 37 37 A F E +ac 13 63A 2 -25,-2.3 -22,-2.2 -2,-0.3 -23,-0.7 -0.993 24.5 127.5-129.1 130.8 23.2 2.3 5.9 38 38 A S E - c 0 64A 12 25,-1.1 27,-2.4 -2,-0.4 6,-0.1 -0.949 62.1 -93.2-164.5-179.9 23.5 5.6 7.8 39 39 A R S S+ 0 0 160 -2,-0.3 2,-0.6 25,-0.2 -1,-0.1 0.908 100.1 61.0 -68.9 -41.8 22.5 7.1 11.1 40 40 A N > - 0 0 66 1,-0.2 4,-2.2 24,-0.1 5,-0.2 -0.760 59.7-159.2-105.9 117.1 19.3 8.9 10.2 41 41 A R H > S+ 0 0 59 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.888 93.2 51.4 -54.8 -43.7 16.3 7.0 8.9 42 42 A E H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 110.6 45.4 -65.2 -48.1 14.7 10.1 7.2 43 43 A K H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.857 114.0 52.6 -61.9 -36.7 17.8 11.1 5.3 44 44 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.949 108.1 48.4 -61.9 -52.6 18.2 7.4 4.2 45 45 A E H X S+ 0 0 99 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.900 112.8 51.2 -52.2 -42.2 14.6 7.2 3.0 46 46 A A H X S+ 0 0 53 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.858 107.6 50.4 -64.3 -40.0 15.3 10.4 1.1 47 47 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.922 109.2 52.4 -62.0 -44.0 18.5 9.1 -0.5 48 48 A A H X S+ 0 0 16 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.916 107.7 52.8 -58.2 -46.0 16.6 6.0 -1.6 49 49 A S H X S+ 0 0 80 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.856 106.9 51.2 -56.3 -40.9 14.0 8.2 -3.2 50 50 A R H X S+ 0 0 126 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.930 109.8 50.0 -63.6 -46.9 16.7 10.2 -5.2 51 51 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.924 109.7 50.1 -57.7 -44.7 18.2 7.1 -6.6 52 52 A A H < S+ 0 0 49 -4,-2.3 6,-0.3 1,-0.2 -1,-0.2 0.846 110.2 52.1 -63.2 -33.6 14.7 5.8 -7.7 53 53 A S H < S+ 0 0 95 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.821 115.6 39.1 -72.6 -33.5 14.1 9.2 -9.4 54 54 A L H < S+ 0 0 89 -4,-2.1 2,-0.5 1,-0.2 -2,-0.2 0.677 121.0 44.5 -84.8 -23.4 17.5 9.1 -11.4 55 55 A V S >< S- 0 0 21 -4,-1.9 3,-1.9 -5,-0.2 -1,-0.2 -0.918 84.8-133.4-131.6 103.2 17.3 5.3 -12.1 56 56 A S T 3 S+ 0 0 126 -2,-0.5 -3,-0.1 1,-0.3 -4,-0.0 -0.323 90.4 8.3 -57.0 127.9 14.0 3.9 -13.3 57 57 A G T 3 S+ 0 0 68 -5,-0.2 -1,-0.3 1,-0.2 -5,-0.1 0.418 85.5 160.9 83.3 0.4 13.2 0.6 -11.5 58 58 A A < - 0 0 24 -3,-1.9 2,-0.6 -6,-0.3 -1,-0.2 -0.279 32.2-143.3 -58.0 135.2 16.1 0.9 -8.9 59 59 A Q + 0 0 121 -27,-0.3 -25,-2.6 -31,-0.1 2,-0.4 -0.920 26.9 171.8-103.1 118.1 15.5 -1.3 -5.8 60 60 A V E +c 34 0A 28 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.995 9.7 180.0-134.2 125.7 16.8 0.4 -2.7 61 61 A D E -c 35 0A 63 -27,-2.4 -25,-3.1 -2,-0.4 2,-0.3 -0.837 13.7-150.0-116.0 159.8 16.3 -0.7 0.9 62 62 A I E -c 36 0A 40 -2,-0.3 2,-0.4 -27,-0.2 -25,-0.2 -0.948 15.3-168.5-132.1 152.6 17.6 1.1 4.0 63 63 A V E -c 37 0A 14 -27,-2.6 -25,-1.1 -2,-0.3 2,-0.4 -0.973 18.7-146.2-136.8 122.7 18.8 0.3 7.6 64 64 A A E +c 38 0A 24 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.744 43.4 116.4 -86.9 132.3 19.3 3.2 10.1 65 65 A G - 0 0 6 -27,-2.4 2,-0.6 -2,-0.4 -2,-0.1 -0.981 61.9 -85.9 179.0 175.0 22.1 2.7 12.5 66 66 A D > - 0 0 27 -2,-0.3 3,-2.2 1,-0.1 6,-0.3 -0.871 20.5-150.8-107.0 119.9 25.4 3.8 14.0 67 67 A I T 3 S+ 0 0 23 -2,-0.6 -1,-0.1 1,-0.3 56,-0.1 0.696 96.9 67.2 -58.5 -23.4 28.6 2.5 12.3 68 68 A R T 3 S+ 0 0 67 1,-0.1 -1,-0.3 50,-0.1 48,-0.1 0.570 90.9 74.1 -74.6 -8.9 30.3 2.8 15.7 69 69 A E X> - 0 0 91 -3,-2.2 4,-1.8 1,-0.1 3,-0.8 -0.927 65.0-156.9-114.8 115.4 28.1 -0.0 17.1 70 70 A P H 3> S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.841 96.5 59.4 -55.4 -34.0 28.7 -3.7 16.1 71 71 A G H 3> S+ 0 0 30 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.840 104.5 48.6 -63.9 -37.2 25.1 -4.5 17.0 72 72 A D H <> S+ 0 0 41 -3,-0.8 4,-2.2 -6,-0.3 -1,-0.2 0.877 110.2 51.1 -68.8 -42.5 23.8 -2.0 14.3 73 73 A I H X S+ 0 0 1 -4,-1.8 4,-2.2 -7,-0.3 -2,-0.2 0.906 108.8 52.7 -56.8 -42.7 26.2 -3.4 11.7 74 74 A D H X S+ 0 0 45 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.924 108.0 50.3 -58.7 -43.3 24.8 -6.9 12.6 75 75 A R H X S+ 0 0 106 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.904 108.1 53.8 -64.3 -39.4 21.2 -5.6 12.1 76 76 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.907 110.2 46.7 -57.4 -45.8 22.3 -4.2 8.7 77 77 A F H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.761 104.6 59.7 -78.3 -22.6 23.6 -7.6 7.6 78 78 A E H X S+ 0 0 119 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.907 107.4 47.1 -62.3 -41.5 20.5 -9.4 8.8 79 79 A K H X S+ 0 0 79 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.924 109.6 54.2 -67.1 -41.2 18.5 -7.3 6.4 80 80 A A H ><>S+ 0 0 0 -4,-2.0 5,-3.0 1,-0.2 3,-0.6 0.925 106.5 51.5 -55.8 -43.5 21.1 -8.1 3.7 81 81 A R H ><5S+ 0 0 107 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.915 107.7 52.3 -60.6 -41.0 20.6 -11.8 4.4 82 82 A D H 3<5S+ 0 0 133 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.741 106.8 54.2 -68.2 -22.7 16.9 -11.4 3.9 83 83 A L T <<5S- 0 0 41 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.288 136.9 -83.2 -91.6 7.2 17.5 -9.6 0.6 84 84 A G T < 5S- 0 0 44 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.384 79.4 -66.3 109.7 -1.0 19.6 -12.6 -0.6 85 85 A G < - 0 0 6 -5,-3.0 -76,-0.4 -6,-0.2 2,-0.2 0.210 62.6 -69.7 96.8 137.0 22.9 -11.8 0.9 86 86 A A + 0 0 0 -9,-0.2 -76,-0.2 1,-0.2 3,-0.1 -0.439 46.8 168.8 -56.0 120.7 25.5 -9.1 0.4 87 87 A D S S+ 0 0 10 -78,-2.7 51,-1.6 1,-0.4 2,-0.4 0.713 70.5 25.9-100.8 -37.9 27.2 -9.5 -3.0 88 88 A I E -bd 10 138A 0 -79,-2.3 -77,-2.8 49,-0.2 2,-0.4 -0.977 67.4-162.5-128.1 140.5 29.0 -6.1 -3.1 89 89 A L E -bd 11 139A 0 49,-3.3 51,-3.0 -2,-0.4 2,-0.5 -0.993 7.4-173.3-122.7 132.8 30.2 -3.9 -0.2 90 90 A V E -bd 12 140A 0 -79,-2.8 -77,-2.1 -2,-0.4 2,-0.6 -0.968 15.4-160.9-117.8 110.7 31.1 -0.2 -0.3 91 91 A Y E + d 0 141A 1 49,-2.6 51,-3.0 -2,-0.5 2,-0.3 -0.844 20.6 160.5 -97.5 121.2 32.5 0.8 3.1 92 92 A S + 0 0 12 -2,-0.6 2,-0.3 49,-0.2 51,-0.1 -0.995 7.3 170.1-137.7 137.6 32.5 4.6 3.7 93 93 A T - 0 0 19 -2,-0.3 -74,-0.1 49,-0.3 2,-0.1 -0.971 35.7-101.6-136.1 161.9 32.7 6.6 7.0 94 94 A G - 0 0 48 -2,-0.3 99,-0.1 1,-0.1 98,-0.1 -0.283 48.3-101.3 -63.4 164.6 33.1 10.2 8.1 95 95 A G - 0 0 6 1,-0.1 98,-0.1 -2,-0.1 -1,-0.1 -0.521 34.2-105.5 -89.1 159.1 36.6 11.2 9.4 96 96 A P - 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