==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-APR-08 3CXR . COMPND 2 MOLECULE: DEHYDROGENASE WITH DIFFERENT SPECIFICITIES; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SUIS; . AUTHOR H.PENG,F.GAO,Q.ZHANG,Y.LIU,G.F.GAO . 260 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 13.1 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 . 25 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 1 1 0 1 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 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 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 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 4 A Q 0 0 248 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.8 -12.3 -7.4 17.6 2 5 A F - 0 0 130 2,-0.0 2,-0.3 3,-0.0 3,-0.0 -0.344 360.0-171.4 -59.4 146.9 -9.2 -5.9 19.3 3 6 A S > - 0 0 48 1,-0.1 3,-2.0 -2,-0.0 4,-0.1 -0.990 36.3-128.5-141.8 145.0 -7.0 -3.8 17.2 4 7 A L G > S+ 0 0 131 -2,-0.3 3,-2.0 1,-0.3 4,-0.3 0.679 102.7 82.8 -60.4 -20.0 -3.6 -2.3 17.7 5 8 A D G > S+ 0 0 126 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.676 71.5 78.1 -53.8 -21.5 -5.3 0.9 16.6 6 9 A Q G < S+ 0 0 70 -3,-2.0 232,-1.6 1,-0.3 231,-0.9 0.770 91.8 51.0 -61.3 -27.4 -6.5 1.2 20.2 7 10 A F G < S+ 0 0 74 -3,-2.0 -1,-0.3 230,-0.2 -2,-0.2 0.548 89.7 107.1 -82.8 -13.8 -3.0 2.5 21.0 8 11 A S < - 0 0 45 -3,-1.1 229,-0.4 -4,-0.3 27,-0.2 -0.463 51.9-165.2 -71.2 138.1 -3.1 5.1 18.3 9 12 A L > + 0 0 0 25,-2.7 3,-2.0 22,-0.2 28,-0.2 0.102 35.9 150.6-103.1 19.1 -3.6 8.8 19.2 10 13 A K T 3 + 0 0 171 24,-0.5 26,-0.2 1,-0.3 3,-0.1 -0.276 69.2 11.2 -57.0 132.2 -4.5 9.8 15.7 11 14 A G T 3 S+ 0 0 65 24,-0.9 2,-0.3 1,-0.3 -1,-0.3 0.534 103.2 116.9 78.1 8.5 -6.8 12.8 15.6 12 15 A K < - 0 0 34 -3,-2.0 25,-2.7 23,-0.2 2,-0.5 -0.777 57.7-136.9-106.6 151.4 -6.4 13.6 19.2 13 16 A I E -a 37 0A 18 75,-0.4 77,-1.9 -2,-0.3 78,-1.9 -0.936 18.1-165.4-108.5 128.2 -4.8 16.8 20.8 14 17 A A E -ab 38 91A 0 23,-2.9 25,-3.0 -2,-0.5 2,-0.6 -0.965 9.8-159.6-116.6 130.6 -2.4 16.5 23.8 15 18 A L E -ab 39 92A 0 76,-2.9 78,-2.8 -2,-0.5 2,-0.6 -0.940 10.3-173.5-101.2 119.9 -1.3 19.3 26.1 16 19 A V E > -ab 40 93A 0 23,-2.3 3,-1.1 -2,-0.6 25,-0.7 -0.964 21.3-135.3-115.3 112.9 2.0 18.4 27.9 17 20 A T E 3 S+a 41 0A 2 76,-2.3 78,-0.2 -2,-0.6 25,-0.1 -0.411 82.0 1.9 -71.8 140.1 2.9 21.0 30.5 18 21 A G T > S+ 0 0 12 23,-1.0 3,-0.6 1,-0.1 2,-0.5 0.764 82.5 150.8 57.8 29.9 6.5 22.2 30.6 19 22 A A T < + 0 0 0 -3,-1.1 -1,-0.1 22,-0.5 23,-0.1 -0.110 26.2 114.0 -89.9 38.8 7.4 20.0 27.7 20 23 A S T 3 S- 0 0 1 -2,-0.5 2,-0.2 21,-0.2 -1,-0.2 0.778 91.4 -23.0 -73.9 -27.1 10.2 22.2 26.3 21 24 A Y S <> S+ 0 0 114 -3,-0.6 4,-1.1 33,-0.0 3,-0.5 -0.896 105.9 38.9-162.1-176.7 12.9 19.5 27.1 22 25 A G H > S- 0 0 42 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 -0.187 114.1 -14.2 66.4-148.2 13.5 16.5 29.4 23 26 A I H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.894 135.9 52.3 -59.6 -46.9 10.8 13.9 30.3 24 27 A G H > S+ 0 0 0 -3,-0.5 4,-2.7 -6,-0.2 -1,-0.2 0.897 109.4 49.9 -57.6 -43.4 7.8 16.0 29.0 25 28 A F H X S+ 0 0 42 -4,-1.1 4,-2.7 -7,-0.2 -1,-0.2 0.912 110.5 49.9 -61.4 -45.6 9.5 16.6 25.6 26 29 A A H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.902 112.7 47.0 -60.6 -41.7 10.1 12.9 25.3 27 30 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.932 113.3 47.9 -66.6 -46.9 6.5 12.0 26.2 28 31 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.897 110.0 53.6 -60.6 -40.1 5.1 14.7 23.8 29 32 A S H X S+ 0 0 15 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.899 109.6 47.4 -61.3 -44.5 7.4 13.4 21.0 30 33 A A H X S+ 0 0 12 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.888 109.3 54.8 -61.8 -41.6 6.1 9.8 21.5 31 34 A Y H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 -2,-0.2 0.925 108.7 47.5 -55.6 -50.0 2.5 11.2 21.4 32 35 A A H ><5S+ 0 0 21 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.926 110.7 51.6 -55.7 -48.1 3.2 12.9 18.0 33 36 A K H 3<5S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.800 106.3 55.4 -61.2 -28.4 4.7 9.7 16.7 34 37 A A T 3<5S- 0 0 24 -4,-1.8 -25,-2.7 -5,-0.1 -24,-0.5 0.419 133.0 -91.7 -81.9 0.0 1.5 7.9 17.9 35 38 A G T < 5S+ 0 0 35 -3,-1.9 -24,-0.9 1,-0.3 -3,-0.2 0.341 80.4 137.1 111.5 -5.6 -0.6 10.3 15.8 36 39 A A < - 0 0 9 -5,-2.5 2,-0.5 -26,-0.2 -1,-0.3 -0.347 54.4-124.5 -77.6 153.8 -1.3 13.2 18.3 37 40 A T E -a 13 0A 57 -25,-2.7 -23,-2.9 -28,-0.2 2,-0.5 -0.857 35.6-137.6 -88.8 130.1 -1.3 16.9 17.7 38 41 A I E +a 14 0A 2 -2,-0.5 25,-2.0 23,-0.3 2,-0.4 -0.809 27.4 172.2-103.5 125.1 1.1 18.4 20.3 39 42 A V E +ac 15 63A 0 -25,-3.0 -23,-2.3 -2,-0.5 2,-0.3 -0.954 11.8 169.4-120.0 146.7 0.5 21.5 22.4 40 43 A F E -ac 16 64A 0 23,-2.4 25,-2.4 -2,-0.4 2,-0.3 -0.985 16.6-152.6-151.7 159.0 2.8 22.6 25.2 41 44 A N E +ac 17 65A 2 -25,-0.7 -23,-1.0 -2,-0.3 -22,-0.5 -0.898 10.2 177.4-127.1 159.9 3.5 25.5 27.6 42 45 A D E - c 0 66A 22 23,-1.9 25,-2.4 -2,-0.3 6,-0.1 -0.965 41.8-101.2-155.6 172.0 6.4 26.9 29.5 43 46 A I S S+ 0 0 101 -2,-0.3 2,-0.3 23,-0.2 25,-0.1 0.679 96.7 19.3 -69.7 -25.1 7.2 29.9 31.8 44 47 A N S > S- 0 0 46 23,-0.1 4,-1.9 21,-0.1 3,-0.2 -0.946 76.4-109.2-144.1 164.9 9.1 32.0 29.2 45 48 A Q H > S+ 0 0 99 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.819 113.2 62.1 -63.2 -34.3 9.6 32.5 25.5 46 49 A E H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 107.9 42.4 -59.7 -46.6 13.2 31.2 25.6 47 50 A L H > S+ 0 0 29 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 114.6 50.9 -67.1 -40.2 11.9 27.8 26.8 48 51 A V H X S+ 0 0 4 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.935 110.4 49.1 -62.6 -44.7 9.1 27.8 24.4 49 52 A D H X S+ 0 0 89 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.908 110.2 52.2 -61.4 -43.7 11.5 28.6 21.5 50 53 A R H X S+ 0 0 131 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.937 112.4 44.4 -54.7 -51.1 13.7 25.8 22.6 51 54 A G H X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 5,-0.2 0.950 112.4 52.4 -62.3 -46.7 10.8 23.3 22.6 52 55 A M H X S+ 0 0 63 -4,-3.1 4,-2.6 1,-0.2 10,-0.2 0.903 110.9 46.4 -55.2 -47.3 9.5 24.5 19.3 53 56 A A H X S+ 0 0 63 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.899 113.7 49.3 -62.1 -43.2 13.0 24.1 17.6 54 57 A A H X S+ 0 0 36 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.925 111.5 47.9 -66.9 -43.8 13.4 20.7 19.1 55 58 A Y H <>S+ 0 0 0 -4,-3.2 5,-2.7 2,-0.2 3,-0.5 0.943 112.1 51.2 -57.0 -47.5 9.9 19.5 18.0 56 59 A K H ><5S+ 0 0 171 -4,-2.6 3,-2.3 1,-0.2 -2,-0.2 0.929 106.3 53.4 -55.1 -47.1 10.6 20.9 14.5 57 60 A A H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 108.4 51.3 -60.5 -29.1 14.0 19.0 14.3 58 61 A A T 3<5S- 0 0 40 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.309 124.8-103.6 -89.6 8.7 12.0 15.8 15.1 59 62 A G T < 5S+ 0 0 70 -3,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.741 80.0 131.2 76.5 26.4 9.5 16.5 12.3 60 63 A I < - 0 0 16 -5,-2.7 2,-1.2 -6,-0.1 -1,-0.2 -0.938 51.3-150.8-116.8 125.9 6.8 17.6 14.7 61 64 A N + 0 0 126 -2,-0.5 -23,-0.3 -3,-0.1 2,-0.1 -0.717 32.4 178.8 -91.9 85.9 4.7 20.8 14.3 62 65 A A - 0 0 2 -2,-1.2 2,-0.5 -10,-0.2 -23,-0.2 -0.356 27.1-130.6 -81.6 164.2 4.0 21.5 17.9 63 66 A H E -c 39 0A 51 -25,-2.0 -23,-2.4 -2,-0.1 2,-0.4 -0.981 26.3-161.7-118.4 116.1 2.1 24.5 19.3 64 67 A G E -c 40 0A 25 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.851 8.1-173.0-111.1 138.5 3.9 26.3 22.1 65 68 A Y E -c 41 0A 17 -25,-2.4 -23,-1.9 -2,-0.4 2,-0.6 -0.954 24.0-130.0-130.7 138.8 2.4 28.8 24.6 66 69 A V E +c 42 0A 71 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.800 52.1 134.9 -88.3 119.5 4.0 31.0 27.3 67 70 A C - 0 0 11 -25,-2.4 2,-0.5 -2,-0.6 -23,-0.1 -0.927 53.0-127.6-167.6 140.2 2.2 30.4 30.6 68 71 A D > - 0 0 69 -2,-0.3 3,-1.6 1,-0.1 7,-0.2 -0.826 20.6-143.3 -90.0 125.3 2.9 29.8 34.3 69 72 A V T 3 S+ 0 0 12 -2,-0.5 57,-0.2 1,-0.3 -1,-0.1 0.699 99.8 58.2 -64.2 -21.1 1.0 26.6 35.4 70 73 A T T 3 S+ 0 0 36 1,-0.1 2,-0.9 55,-0.1 -1,-0.3 0.471 86.1 89.9 -86.1 -3.0 0.3 28.3 38.8 71 74 A D <> - 0 0 74 -3,-1.6 4,-3.0 1,-0.2 5,-0.2 -0.789 55.9-174.7 -99.2 96.3 -1.6 31.1 37.1 72 75 A E H > S+ 0 0 62 -2,-0.9 4,-2.9 1,-0.2 5,-0.2 0.929 85.7 47.8 -59.0 -49.5 -5.2 30.0 36.8 73 76 A D H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.917 113.9 49.2 -55.3 -45.5 -6.3 33.1 34.8 74 77 A G H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.914 113.2 45.2 -59.2 -47.5 -3.3 32.5 32.5 75 78 A I H X S+ 0 0 1 -4,-3.0 4,-2.7 -7,-0.2 5,-0.2 0.889 111.1 53.2 -66.5 -41.1 -4.0 28.8 32.1 76 79 A Q H X S+ 0 0 91 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.944 111.7 45.5 -57.4 -50.0 -7.7 29.4 31.5 77 80 A A H X S+ 0 0 62 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.884 111.4 53.9 -60.0 -40.6 -6.9 31.9 28.7 78 81 A M H X S+ 0 0 8 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.940 108.3 48.1 -61.3 -47.8 -4.3 29.5 27.3 79 82 A V H X S+ 0 0 6 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.926 111.1 51.1 -59.0 -45.2 -6.9 26.7 27.0 80 83 A A H X S+ 0 0 58 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.923 112.2 47.2 -57.9 -43.5 -9.3 29.0 25.3 81 84 A Q H X S+ 0 0 85 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.920 111.7 50.2 -63.8 -47.3 -6.6 30.1 22.9 82 85 A I H X>S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-2.3 0.915 110.0 51.3 -55.9 -44.7 -5.6 26.4 22.2 83 86 A E H <5S+ 0 0 64 -4,-3.0 -1,-0.2 3,-0.2 -2,-0.2 0.867 113.8 43.2 -64.9 -36.9 -9.3 25.6 21.6 84 87 A S H <5S+ 0 0 97 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.882 125.9 32.2 -73.9 -35.9 -9.7 28.4 19.0 85 88 A E H <5S+ 0 0 116 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.712 139.1 7.0 -96.0 -26.5 -6.4 27.8 17.2 86 89 A V T <5S- 0 0 37 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.664 101.9-109.3-125.8 -53.8 -5.8 24.0 17.5 87 90 A G < - 0 0 18 -5,-2.3 2,-0.2 -6,-0.1 -1,-0.2 -0.902 54.3 -20.3 144.7-170.7 -8.9 22.3 18.9 88 91 A I - 0 0 52 -2,-0.3 2,-0.7 -5,-0.1 -75,-0.4 -0.468 61.7-119.3 -71.0 131.2 -10.2 20.5 22.1 89 92 A I + 0 0 3 -2,-0.2 -75,-0.2 1,-0.2 3,-0.1 -0.616 33.9 175.1 -69.7 111.4 -7.6 19.1 24.4 90 93 A D + 0 0 13 -77,-1.9 51,-1.7 -2,-0.7 2,-0.4 0.745 68.5 33.9 -84.3 -28.7 -8.2 15.3 24.5 91 94 A I E -bd 14 141A 1 -78,-1.9 -76,-2.9 49,-0.2 2,-0.5 -0.998 63.2-168.5-138.5 124.5 -5.2 14.5 26.7 92 95 A L E -bd 15 142A 0 49,-2.6 51,-3.2 -2,-0.4 2,-0.5 -0.981 1.8-168.5-113.2 128.6 -3.5 16.4 29.4 93 96 A V E -bd 16 143A 0 -78,-2.8 -76,-2.3 -2,-0.5 2,-1.3 -0.979 13.3-150.7-112.2 114.7 -0.1 15.4 30.8 94 97 A N E + d 0 144A 5 49,-2.3 51,-2.3 -2,-0.5 -78,-0.1 -0.731 44.7 139.7 -82.5 91.5 0.8 17.3 34.0 95 98 A N + 0 0 25 -2,-1.3 -1,-0.2 -78,-0.2 -77,-0.1 0.724 29.1 105.6-107.1 -32.6 4.5 17.2 33.6 96 99 A A + 0 0 20 -3,-0.3 2,-0.3 -72,-0.0 -78,-0.1 -0.202 46.6 126.3 -54.8 137.4 5.6 20.7 34.7 97 100 A G - 0 0 42 -79,-0.1 2,-0.3 25,-0.0 22,-0.1 -0.966 42.6-134.7-177.9 169.9 7.3 20.7 38.1 98 101 A I - 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