==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-JUL-06 2DTX . COMPND 2 MOLECULE: GLUCOSE 1-DEHYDROGENASE RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR Y.YASUTAKE,Y.NISHIYA,N.TAMURA,T.TAMURA . 510 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 13.7 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 . 32 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 0 0 4 4 0 4 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 4 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 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 G 0 0 92 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-162.9 25.3 -20.1 45.8 2 2 A F > - 0 0 38 1,-0.1 3,-2.4 2,-0.0 4,-0.3 -0.807 360.0-169.8-113.0 88.9 21.9 -20.3 44.2 3 3 A S G > S+ 0 0 85 -2,-0.8 3,-1.6 1,-0.3 -1,-0.1 0.728 78.1 70.8 -48.2 -31.8 20.0 -22.9 46.1 4 4 A D G 3 S+ 0 0 30 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.705 87.9 65.8 -65.3 -17.2 17.1 -23.0 43.6 5 5 A L G X S+ 0 0 1 -3,-2.4 3,-1.8 2,-0.1 -1,-0.3 0.671 74.0 119.0 -78.6 -15.7 19.4 -24.8 41.1 6 6 A R T < S+ 0 0 144 -3,-1.6 26,-0.3 -4,-0.3 25,-0.2 -0.232 84.9 0.2 -59.1 135.9 19.7 -27.9 43.3 7 7 A D T 3 S+ 0 0 107 24,-2.6 -1,-0.3 1,-0.2 25,-0.2 0.343 97.9 132.9 69.1 -3.0 18.4 -31.1 41.7 8 8 A K < - 0 0 56 -3,-1.8 25,-2.6 1,-0.1 2,-0.5 -0.505 63.4-111.8 -79.3 148.3 17.4 -29.3 38.5 9 9 A V E -a 33 0A 1 23,-0.2 66,-2.1 -2,-0.2 67,-2.0 -0.707 38.3-176.0 -83.8 122.8 18.4 -30.8 35.1 10 10 A V E -ab 34 76A 0 23,-2.8 25,-2.5 -2,-0.5 2,-0.5 -0.983 12.0-161.5-125.9 124.2 20.9 -28.6 33.4 11 11 A I E -ab 35 77A 0 65,-2.6 67,-3.0 -2,-0.4 2,-0.4 -0.900 9.3-175.3-104.8 131.5 22.3 -29.2 29.9 12 12 A V E -ab 36 78A 0 23,-2.5 25,-2.3 -2,-0.5 3,-0.5 -0.995 14.0-145.3-126.6 126.1 25.6 -27.5 28.9 13 13 A T E S+a 37 0A 1 65,-2.5 25,-0.2 -2,-0.4 23,-0.1 -0.656 80.2 14.0 -91.0 148.3 27.0 -27.7 25.4 14 14 A G S S+ 0 0 20 23,-2.8 3,-0.4 -2,-0.3 6,-0.4 0.914 79.9 146.2 59.3 48.1 30.7 -27.8 24.8 15 15 A A + 0 0 0 -3,-0.5 -1,-0.1 5,-0.2 23,-0.1 0.022 35.6 95.3-106.6 27.4 31.5 -28.6 28.4 16 16 A S S S+ 0 0 18 21,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.680 96.2 3.5 -88.7 -18.0 34.5 -30.8 28.1 17 17 A M S >> S+ 0 0 100 -3,-0.4 4,-1.8 23,-0.0 3,-0.6 -0.924 106.6 4.4-153.4 176.0 37.0 -28.0 28.6 18 18 A G H 3> S- 0 0 18 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.005 120.1 -6.7 47.5-137.7 37.4 -24.3 29.3 19 19 A I H 3> S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.898 135.4 55.1 -57.4 -43.3 34.4 -22.1 30.1 20 20 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 -6,-0.4 -1,-0.2 0.896 109.1 46.6 -59.4 -41.3 32.0 -24.9 29.3 21 21 A R H X S+ 0 0 58 -4,-1.8 4,-2.7 -7,-0.2 -1,-0.2 0.905 111.5 52.1 -68.1 -37.9 33.7 -27.2 31.8 22 22 A A H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.892 110.4 48.6 -64.6 -38.6 33.7 -24.5 34.4 23 23 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.946 111.5 48.9 -66.3 -46.5 30.0 -23.9 33.9 24 24 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.934 112.1 49.1 -58.8 -45.2 29.2 -27.6 34.2 25 25 A E H X S+ 0 0 87 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.877 108.4 53.3 -63.5 -39.0 31.3 -27.9 37.4 26 26 A R H X S+ 0 0 53 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.933 109.7 47.7 -62.6 -46.1 29.6 -24.8 38.9 27 27 A F H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.3 0.885 109.7 53.3 -63.2 -36.0 26.2 -26.3 38.4 28 28 A V H ><5S+ 0 0 21 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.942 108.2 50.9 -62.3 -43.0 27.4 -29.6 39.8 29 29 A D H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.0 57.0 -63.6 -27.1 28.5 -27.7 42.9 30 30 A E T 3<5S- 0 0 25 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.503 123.3-107.6 -79.7 -4.9 25.1 -26.1 43.1 31 31 A G T < 5S+ 0 0 34 -3,-1.8 -24,-2.6 -4,-0.3 -3,-0.2 0.570 70.2 145.1 90.8 8.3 23.6 -29.6 43.3 32 32 A S < - 0 0 11 -5,-2.4 2,-0.8 -26,-0.3 -1,-0.2 -0.316 57.6-115.0 -77.0 164.3 22.2 -29.7 39.8 33 33 A K E -a 9 0A 98 -25,-2.6 -23,-2.8 14,-0.1 2,-0.4 -0.908 45.0-163.4 -98.6 107.0 22.0 -32.8 37.6 34 34 A V E -a 10 0A 5 -2,-0.8 14,-2.7 -25,-0.2 2,-0.4 -0.801 18.0-172.1-105.6 137.6 24.3 -31.8 34.7 35 35 A I E -ac 11 48A 0 -25,-2.5 -23,-2.5 -2,-0.4 2,-0.4 -0.993 12.5-149.8-128.9 125.2 24.7 -33.2 31.2 36 36 A D E -ac 12 49A 0 12,-2.6 14,-2.5 -2,-0.4 2,-0.6 -0.765 3.9-161.1 -92.7 129.0 27.4 -32.2 28.8 37 37 A L E +ac 13 50A 1 -25,-2.3 -23,-2.8 -2,-0.4 2,-0.3 -0.945 40.5 122.5-110.6 108.2 26.7 -32.3 25.1 38 38 A S E - c 0 51A 9 12,-1.5 14,-2.1 -2,-0.6 15,-0.1 -0.980 68.2-117.0-157.3 167.3 30.0 -32.3 23.2 39 39 A I S S+ 0 0 91 -2,-0.3 2,-0.4 12,-0.2 14,-0.1 0.704 96.3 67.9 -82.5 -19.8 32.1 -34.2 20.7 40 40 A H S S- 0 0 104 12,-0.1 -25,-0.1 -3,-0.0 12,-0.1 -0.800 86.7-118.8-103.6 143.7 34.9 -34.8 23.3 41 41 A D - 0 0 120 -2,-0.4 3,-0.1 1,-0.1 -2,-0.1 -0.670 15.5-143.7 -80.1 123.7 34.6 -37.0 26.4 42 42 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.485 35.0-142.2 -66.1 0.8 35.2 -34.9 29.5 43 43 A G + 0 0 41 2,-0.1 2,-0.9 1,-0.0 -3,-0.0 -0.337 67.7 4.9 68.5-155.7 37.0 -37.8 31.0 44 44 A E S S+ 0 0 193 -3,-0.1 2,-0.3 2,-0.1 -1,-0.0 -0.458 90.2 152.2 -63.7 102.6 36.5 -38.4 34.7 45 45 A A - 0 0 33 -2,-0.9 -2,-0.1 2,-0.2 4,-0.1 -0.920 54.8-128.7-132.2 158.5 33.9 -35.7 35.5 46 46 A K S S+ 0 0 174 -2,-0.3 2,-0.2 2,-0.1 -12,-0.2 0.580 90.3 73.3 -82.7 -10.2 31.2 -35.4 38.0 47 47 A Y S S- 0 0 17 1,-0.1 -2,-0.2 -14,-0.1 -12,-0.2 -0.658 87.9-105.7-104.2 162.1 28.7 -34.6 35.3 48 48 A D E -c 35 0A 54 -14,-2.7 -12,-2.6 -2,-0.2 2,-0.3 -0.335 33.2-155.9 -77.8 162.3 27.0 -36.8 32.7 49 49 A H E -c 36 0A 42 -14,-0.2 2,-0.4 -2,-0.1 -12,-0.2 -0.999 14.0-170.6-145.1 141.6 28.1 -36.7 29.0 50 50 A I E -c 37 0A 30 -14,-2.5 -12,-1.5 -2,-0.3 2,-0.4 -0.999 33.9-117.9-130.6 127.9 26.5 -37.5 25.7 51 51 A E E +c 38 0A 95 -2,-0.4 2,-0.3 -14,-0.2 -12,-0.2 -0.512 53.3 157.2 -65.0 119.8 28.5 -37.5 22.5 52 52 A C - 0 0 1 -14,-2.1 2,-0.7 -2,-0.4 -12,-0.1 -0.941 40.4-150.9-156.3 129.3 26.9 -34.9 20.4 53 53 A D > - 0 0 61 -2,-0.3 3,-2.1 -15,-0.1 7,-0.3 -0.888 16.8-150.9 -96.9 112.9 27.9 -32.6 17.5 54 54 A V T 3 S+ 0 0 11 -2,-0.7 56,-0.2 1,-0.3 57,-0.2 0.636 92.4 64.3 -62.6 -13.3 25.8 -29.4 17.9 55 55 A T T 3 S+ 0 0 45 1,-0.1 -1,-0.3 55,-0.1 3,-0.1 0.551 87.7 78.6 -85.5 -6.2 25.9 -28.8 14.1 56 56 A N <> - 0 0 59 -3,-2.1 4,-2.4 1,-0.2 3,-0.2 -0.861 64.4-168.3-102.4 100.6 23.9 -32.1 13.6 57 57 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.818 85.5 54.4 -60.2 -30.8 20.2 -31.2 14.4 58 58 A D H > S+ 0 0 115 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.906 110.6 44.2 -70.8 -40.3 19.2 -34.9 14.5 59 59 A Q H > S+ 0 0 55 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 114.3 51.1 -69.5 -38.1 21.9 -35.8 17.0 60 60 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 -7,-0.3 5,-0.2 0.954 112.2 46.3 -63.1 -48.6 21.0 -32.7 19.1 61 61 A K H X S+ 0 0 89 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.951 113.7 48.5 -57.7 -50.6 17.3 -33.6 19.0 62 62 A A H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.893 111.6 49.7 -58.2 -42.1 18.0 -37.3 19.9 63 63 A S H X S+ 0 0 9 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.905 113.8 44.7 -64.4 -43.5 20.3 -36.3 22.8 64 64 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.897 111.6 52.4 -68.6 -41.2 17.8 -33.9 24.3 65 65 A D H X S+ 0 0 42 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.928 110.8 50.0 -59.0 -43.2 14.9 -36.3 23.8 66 66 A H H X S+ 0 0 97 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.907 108.5 51.2 -62.1 -44.0 17.1 -38.9 25.7 67 67 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.5 0.930 109.8 49.2 -61.6 -44.1 17.9 -36.5 28.5 68 68 A F H X S+ 0 0 32 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.921 113.5 47.0 -62.6 -40.6 14.2 -35.7 29.1 69 69 A K H < S+ 0 0 185 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.900 117.9 41.7 -66.6 -40.8 13.3 -39.4 29.1 70 70 A E H < S+ 0 0 99 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.885 128.3 26.9 -74.5 -40.9 16.1 -40.3 31.5 71 71 A Y H < S- 0 0 57 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.642 95.9-128.2 -99.9 -18.9 15.9 -37.4 33.9 72 72 A G S < S+ 0 0 50 -4,-2.3 2,-0.3 -5,-0.5 -4,-0.1 0.299 77.2 24.8 89.8 -8.9 12.2 -36.4 33.6 73 73 A S - 0 0 31 -6,-0.3 2,-0.3 49,-0.0 -2,-0.1 -0.975 58.8-139.2-169.9 169.8 12.7 -32.7 32.9 74 74 A I + 0 0 0 44,-0.4 48,-0.2 -2,-0.3 47,-0.2 -0.918 24.1 165.2-143.6 116.2 15.0 -30.0 31.6 75 75 A S + 0 0 9 -66,-2.1 51,-2.4 -2,-0.3 2,-0.4 0.736 64.4 29.4-102.8 -32.3 15.1 -26.7 33.5 76 76 A V E -bd 10 126A 3 -67,-2.0 -65,-2.6 49,-0.2 2,-0.4 -0.997 54.2-171.4-136.2 137.9 18.3 -25.0 32.2 77 77 A L E -bd 11 127A 0 49,-1.7 51,-2.5 -2,-0.4 2,-0.6 -0.998 6.0-167.0-125.9 125.0 20.1 -25.0 28.9 78 78 A V E -bd 12 128A 0 -67,-3.0 -65,-2.5 -2,-0.4 2,-0.7 -0.955 8.1-156.2-112.8 111.8 23.5 -23.4 28.6 79 79 A N E + d 0 129A 0 49,-2.0 51,-2.8 -2,-0.6 29,-0.1 -0.815 40.0 134.3 -87.7 117.6 24.6 -22.9 24.9 80 80 A N + 0 0 24 -2,-0.7 -66,-0.2 49,-0.2 -1,-0.2 0.573 20.6 118.8-135.0 -30.5 28.4 -22.7 25.0 81 81 A A + 0 0 15 -44,-0.2 2,-0.3 26,-0.1 -67,-0.1 -0.175 41.7 140.8 -48.0 127.7 29.9 -24.8 22.3 82 82 A G - 0 0 36 -68,-0.1 2,-0.3 25,-0.1 18,-0.1 -0.993 33.5-151.8-164.6 166.9 31.9 -22.7 19.9 83 83 A I - 0 0 39 -2,-0.3 2,-0.3 17,-0.2 21,-0.1 -0.901 3.0-158.0-140.4 166.9 34.9 -22.3 17.7 84 84 A E + 0 0 39 -2,-0.3 2,-0.3 2,-0.0 58,-0.0 -0.942 13.3 166.8-153.8 131.1 37.2 -19.6 16.3 85 85 A S - 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