==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAR-12 3VPX . COMPND 2 MOLECULE: LEUCINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPOROSARCINA PSYCHROPHILA; . AUTHOR Y.ZHAO,T.WAKAMATSU,K.DOI,H.SAKURABA,T.OHSHIMA . 715 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30987.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 541 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 0.1 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 . 61 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.2 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 3 0 0 6 3 1 0 2 3 2 0 2 0 0 0 3 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 8 1 5 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 0 1 2 2 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 2 0 0 0 0 0 0 0 1 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 60 0, 0.0 2,-1.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 171.7 -19.2 -43.0 -41.1 2 2 A E >> - 0 0 114 1,-0.2 4,-2.4 2,-0.1 3,-1.4 -0.582 360.0-179.8 -96.6 67.8 -16.4 -42.9 -38.5 3 3 A I H 3> S+ 0 0 0 -2,-1.1 4,-2.8 1,-0.3 -1,-0.2 0.827 78.2 46.6 -34.6 -57.0 -15.3 -39.4 -39.4 4 4 A F H 3> S+ 0 0 11 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.806 111.4 51.0 -61.8 -33.5 -12.5 -39.4 -36.8 5 5 A K H <> S+ 0 0 151 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.926 112.2 46.9 -69.8 -44.2 -11.2 -42.8 -37.8 6 6 A Y H X S+ 0 0 52 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.917 116.8 44.4 -60.7 -47.1 -11.1 -41.8 -41.5 7 7 A M H >X>S+ 0 0 0 -4,-2.8 5,-2.1 -5,-0.3 3,-1.0 0.932 112.8 49.6 -65.8 -47.9 -9.3 -38.5 -40.6 8 8 A E H ><5S+ 0 0 59 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.883 99.8 66.2 -61.9 -37.7 -6.9 -40.1 -38.1 9 9 A H H 3<5S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.767 121.1 18.8 -55.4 -29.9 -5.8 -42.8 -40.5 10 10 A Q H <<5S- 0 0 59 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.166 111.7-111.0-127.3 16.7 -4.3 -40.3 -42.9 11 11 A D T <<5 - 0 0 58 -3,-1.0 2,-0.2 -4,-0.5 -3,-0.2 0.950 42.2-170.1 51.0 63.0 -3.9 -37.4 -40.4 12 12 A Y < - 0 0 1 -5,-2.1 20,-0.2 1,-0.1 365,-0.2 -0.608 14.1-147.9 -78.7 142.4 -6.5 -35.0 -41.9 13 13 A E - 0 0 21 18,-1.3 364,-2.3 19,-1.0 2,-0.3 0.970 63.8 -4.8 -77.9 -59.1 -6.3 -31.6 -40.3 14 14 A Q E -AB 31 376A 0 17,-2.0 17,-2.4 362,-0.2 2,-0.4 -0.957 36.0-159.7-142.5 160.4 -9.9 -30.4 -40.4 15 15 A L E -AB 30 375A 0 360,-2.2 360,-3.0 -2,-0.3 2,-1.0 -0.912 22.2-169.6-133.7 100.3 -13.5 -31.0 -41.5 16 16 A V E -AB 29 374A 0 13,-2.9 13,-1.9 -2,-0.4 2,-0.7 -0.767 2.1-166.4 -99.6 92.7 -15.3 -27.7 -41.5 17 17 A I E -AB 28 373A 1 356,-2.6 356,-2.0 -2,-1.0 2,-0.4 -0.688 10.5-168.7 -82.7 116.7 -19.0 -28.3 -41.9 18 18 A C E -AB 27 372A 0 9,-2.3 9,-2.1 -2,-0.7 2,-0.3 -0.861 6.1-177.8-111.5 140.8 -20.8 -25.1 -42.8 19 19 A Q E +A 26 0A 1 352,-2.7 2,-0.3 -2,-0.4 7,-0.2 -0.997 19.5 176.4-145.8 141.8 -24.5 -24.4 -42.9 20 20 A D E >> -A 25 0A 38 5,-1.7 5,-1.2 -2,-0.3 4,-0.7 -0.879 13.2-162.6-143.7 106.7 -27.0 -21.6 -43.6 21 21 A K T >45S+ 0 0 94 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.922 85.6 51.8 -53.8 -57.0 -30.7 -22.5 -43.4 22 22 A A T 345S+ 0 0 98 1,-0.3 -1,-0.2 2,-0.1 73,-0.1 0.882 117.6 36.3 -52.4 -48.8 -32.2 -19.6 -45.4 23 23 A S T 345S- 0 0 8 71,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.477 107.3-126.1 -86.2 -0.9 -29.9 -19.9 -48.4 24 24 A G T <<5 + 0 0 32 -3,-1.1 -3,-0.2 -4,-0.7 2,-0.1 0.622 49.8 165.9 67.9 14.8 -30.0 -23.7 -48.1 25 25 A L E < +A 20 0A 0 -5,-1.2 -5,-1.7 58,-0.0 2,-0.3 -0.379 16.2 171.0 -68.8 137.6 -26.2 -23.9 -48.1 26 26 A K E +A 19 0A 48 -7,-0.2 58,-2.2 58,-0.2 2,-0.3 -0.819 13.4 167.6-146.4 97.4 -24.6 -27.1 -47.0 27 27 A A E -AC 18 83A 0 -9,-2.1 -9,-2.3 -2,-0.3 2,-0.5 -0.883 23.7-157.3-119.3 149.4 -20.8 -27.1 -47.6 28 28 A I E -AC 17 82A 0 54,-2.3 54,-1.9 -2,-0.3 2,-0.7 -0.923 8.1-166.1-127.2 105.1 -18.1 -29.4 -46.4 29 29 A I E -AC 16 81A 0 -13,-1.9 -13,-2.9 -2,-0.5 2,-0.5 -0.822 7.8-166.9 -95.1 113.7 -14.6 -28.0 -46.4 30 30 A A E -AC 15 80A 0 50,-3.1 50,-1.8 -2,-0.7 2,-0.5 -0.862 6.9-171.7-102.7 133.5 -12.0 -30.7 -46.0 31 31 A I E +AC 14 79A 0 -17,-2.4 -17,-2.0 -2,-0.5 -18,-1.3 -0.964 9.0 172.1-124.8 108.6 -8.4 -29.7 -45.2 32 32 A H E - 0 0 14 46,-3.2 -19,-1.0 -2,-0.5 2,-0.4 0.973 65.6 -3.4 -79.4 -64.9 -6.0 -32.6 -45.4 33 33 A D E + C 0 78A 27 45,-0.6 45,-2.6 29,-0.2 -1,-0.3 -0.990 43.7 177.5-136.0 140.1 -2.6 -31.0 -45.0 34 34 A T > + 0 0 28 -2,-0.4 3,-1.2 43,-0.2 43,-0.1 0.214 49.3 115.4-123.6 15.7 -1.3 -27.5 -44.7 35 35 A T T 3 S+ 0 0 68 1,-0.3 -1,-0.1 41,-0.1 42,-0.1 0.867 82.5 42.8 -50.5 -46.8 2.4 -28.1 -44.3 36 36 A L T 3 S- 0 0 10 1,-0.2 -1,-0.3 40,-0.1 -2,-0.1 0.579 130.5 -82.4 -80.1 -9.2 3.4 -26.4 -47.5 37 37 A G S < S+ 0 0 20 -3,-1.2 -1,-0.2 39,-0.1 39,-0.2 -0.966 84.0 4.7 144.1-159.3 0.9 -23.6 -46.8 38 38 A P S S- 0 0 12 0, 0.0 39,-3.7 0, 0.0 2,-0.5 -0.208 76.0-109.1 -56.7 149.7 -2.8 -22.7 -47.1 39 39 A A E -de 77 110A 0 70,-2.9 72,-3.0 37,-0.2 2,-0.4 -0.720 41.0-171.0 -82.9 125.7 -4.9 -25.6 -48.4 40 40 A L E +de 78 111A 2 37,-1.5 39,-1.1 -2,-0.5 2,-0.2 -0.957 23.0 123.5-121.1 141.4 -6.1 -24.8 -51.9 41 41 A G - 0 0 0 70,-2.1 72,-0.4 -2,-0.4 39,-0.1 -0.816 51.4 -93.0 173.6 148.5 -8.7 -26.7 -53.9 42 42 A G - 0 0 4 70,-0.3 39,-2.4 -2,-0.2 2,-0.6 -0.054 31.4-113.8 -73.1 169.7 -11.9 -26.2 -55.7 43 43 A T E -fg 81 114A 0 70,-2.5 72,-0.7 37,-0.2 2,-0.5 -0.930 24.6-156.7-109.7 121.4 -15.5 -26.5 -54.5 44 44 A R E -f 82 0A 63 37,-3.4 39,-3.3 -2,-0.6 2,-0.6 -0.829 2.5-160.9 -95.5 126.3 -17.5 -29.3 -56.1 45 45 A M E +f 83 0A 1 71,-1.7 2,-0.3 -2,-0.5 39,-0.2 -0.941 33.4 133.7-113.1 112.0 -21.3 -28.8 -56.1 46 46 A W E -f 84 0A 140 37,-1.4 39,-2.9 -2,-0.6 2,-0.4 -0.893 56.3 -94.5-147.0 173.1 -23.1 -32.1 -56.7 47 47 A T - 0 0 73 -2,-0.3 2,-0.4 37,-0.2 37,-0.1 -0.818 38.3-157.0 -96.8 133.6 -26.0 -34.1 -55.4 48 48 A Y - 0 0 32 -2,-0.4 3,-0.1 1,-0.1 6,-0.1 -0.941 22.0-142.7-119.9 134.8 -25.1 -36.8 -52.8 49 49 A A S S+ 0 0 96 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.620 90.5 12.0 -62.5 -14.7 -27.1 -40.0 -51.9 50 50 A S S >> S- 0 0 51 1,-0.2 4,-1.3 0, 0.0 3,-1.2 -0.977 71.7-119.0-164.0 151.0 -26.0 -39.4 -48.3 51 51 A E H >> S+ 0 0 11 -2,-0.3 4,-1.8 1,-0.3 3,-1.3 0.977 112.8 44.5 -54.4 -67.7 -24.4 -36.9 -46.0 52 52 A E H 3> S+ 0 0 36 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.239 104.9 64.6 -67.7 15.0 -21.5 -38.8 -45.0 53 53 A E H <> S+ 0 0 81 -3,-1.2 4,-1.9 2,-0.2 -1,-0.3 0.713 104.5 45.6-100.0 -40.0 -20.8 -39.8 -48.6 54 54 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 3,-0.6 0.976 108.8 47.2 -59.7 -53.1 -8.7 -32.8 -50.2 63 63 A R H 3X S+ 0 0 66 -4,-2.4 4,-0.9 1,-0.3 -1,-0.2 0.801 108.7 57.3 -59.1 -27.1 -6.1 -35.5 -49.8 64 64 A G H 3X S+ 0 0 36 -4,-1.0 4,-2.3 -5,-0.2 -1,-0.3 0.880 105.2 50.1 -71.6 -36.0 -5.8 -35.6 -53.5 65 65 A M H S+ 0 0 16 -4,-2.0 4,-3.3 -3,-0.6 5,-0.5 0.915 101.6 59.5 -68.2 -42.4 -5.0 -31.9 -53.7 66 66 A T H X5S+ 0 0 5 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.847 113.1 42.2 -56.2 -29.8 -2.3 -32.1 -51.1 67 67 A Y H X5S+ 0 0 24 -4,-0.9 4,-2.7 -5,-0.2 -1,-0.2 0.903 116.7 44.9 -81.5 -46.1 -0.6 -34.5 -53.5 68 68 A K H X5S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 6,-0.2 0.970 117.6 43.9 -62.3 -54.5 -1.3 -32.7 -56.7 69 69 A N H <>S+ 0 0 0 -4,-3.3 5,-2.1 2,-0.2 4,-0.2 0.896 114.7 51.7 -58.0 -41.6 -0.3 -29.3 -55.3 70 70 A A H >< - 0 0 54 -2,-0.2 3,-2.1 1,-0.2 -40,-0.1 -0.771 32.2-155.1 -90.3 106.9 -28.0 -29.5 -57.8 87 87 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.841 93.1 55.9 -46.7 -38.3 -25.8 -26.8 -59.5 88 88 A K T 3 S+ 0 0 190 2,-0.1 3,-0.1 -3,-0.1 -2,-0.0 0.650 124.8 12.7 -72.3 -19.1 -28.5 -26.5 -62.2 89 89 A T S < S+ 0 0 98 -3,-2.1 2,-3.1 1,-0.1 -4,-0.0 0.577 116.7 49.6-118.2 -85.8 -31.3 -25.7 -59.8 90 90 A D S S+ 0 0 81 -4,-0.1 2,-0.4 -66,-0.0 -2,-0.1 -0.193 76.6 122.3 -63.1 54.7 -30.8 -24.8 -56.1 91 91 A K + 0 0 59 -2,-3.1 2,-0.3 -4,-0.1 3,-0.1 -0.897 29.4 159.9-113.9 144.6 -28.1 -22.1 -56.6 92 92 A N > - 0 0 54 -2,-0.4 4,-0.9 1,-0.1 3,-0.2 -0.981 47.8-106.9-160.6 157.1 -28.5 -18.5 -55.3 93 93 A D H >> S+ 0 0 95 -2,-0.3 4,-1.5 1,-0.2 3,-1.1 0.913 112.5 53.3 -52.7 -54.5 -26.4 -15.5 -54.4 94 94 A E H 3> S+ 0 0 119 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.876 100.6 63.2 -52.6 -41.5 -26.7 -15.7 -50.6 95 95 A M H 3> S+ 0 0 5 1,-0.2 4,-1.6 -3,-0.2 -1,-0.3 0.864 108.9 39.9 -51.8 -40.8 -25.5 -19.3 -50.6 96 96 A F H <>S+ 0 0 0 -4,-1.7 3,-1.4 1,-0.2 5,-0.7 0.867 107.4 54.2 -71.4 -35.9 -13.8 -19.1 -45.8 104 104 A E H ><5S+ 0 0 72 -4,-1.8 3,-0.8 1,-0.3 -2,-0.2 0.800 103.4 58.5 -64.9 -28.1 -12.9 -15.7 -44.5 105 105 A G T 3<5S+ 0 0 7 -4,-1.4 -1,-0.3 1,-0.2 362,-0.3 0.468 95.8 59.2 -81.7 -3.6 -13.2 -17.1 -41.1 106 106 A L T X 5S- 0 0 0 -3,-1.4 3,-2.0 -4,-0.1 -1,-0.2 0.306 101.2-143.2-101.7 2.3 -10.6 -19.8 -41.7 107 107 A N T < 5 - 0 0 62 -3,-0.8 -3,-0.1 1,-0.3 -2,-0.1 0.793 66.4 -35.7 37.6 54.7 -8.3 -16.8 -42.3 108 108 A G T 3 - 0 0 40 -72,-0.7 3,-2.5 3,-0.2 -70,-0.2 -0.883 59.9 -40.3-157.6 173.7 -14.6 -27.4 -59.8 116 116 A V T 3 S+ 0 0 98 -2,-0.3 -71,-1.7 1,-0.3 3,-0.1 -0.212 132.4 24.0 -49.5 122.5 -17.5 -29.4 -61.4 117 117 A G T 3 S+ 0 0 24 1,-0.3 2,-0.3 -73,-0.2 -1,-0.3 -0.107 110.3 80.8 112.5 -34.3 -20.7 -27.6 -60.3 118 118 A T < - 0 0 10 -3,-2.5 -1,-0.3 -75,-0.4 2,-0.2 -0.795 60.2-161.2-108.9 150.9 -19.3 -24.2 -59.6 119 119 A T >> - 0 0 62 -2,-0.3 4,-2.2 -5,-0.1 3,-1.2 -0.760 39.6 -97.8-127.0 171.4 -18.4 -21.4 -62.0 120 120 A E H 3> S+ 0 0 89 1,-0.3 4,-1.0 -2,-0.2 17,-0.1 0.735 124.1 59.0 -58.0 -21.3 -16.4 -18.3 -62.4 121 121 A A H 3> S+ 0 0 53 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.826 104.4 48.2 -77.8 -31.8 -19.7 -16.5 -61.5 122 122 A D H X> S+ 0 0 11 -3,-1.2 4,-2.3 2,-0.2 3,-0.5 0.910 107.0 55.7 -72.4 -45.3 -19.9 -18.3 -58.2 123 123 A M H 3X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 -1,-0.2 0.848 103.2 57.3 -56.1 -35.1 -16.3 -17.5 -57.3 124 124 A D H 3< S+ 0 0 58 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.872 105.3 49.1 -65.6 -37.5 -17.2 -13.8 -57.9 125 125 A L H X< S+ 0 0 29 -4,-1.0 3,-1.8 -3,-0.5 4,-0.3 0.950 112.5 48.1 -65.1 -49.1 -19.9 -14.0 -55.2 126 126 A I H >X S+ 0 0 0 -4,-2.3 3,-3.0 1,-0.3 4,-1.2 0.930 103.6 61.0 -54.3 -48.1 -17.5 -15.6 -52.8 127 127 A N T 3< S+ 0 0 63 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.565 90.5 71.6 -58.5 -8.6 -14.9 -12.9 -53.6 128 128 A L T <4 S+ 0 0 101 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.699 109.9 29.5 -79.4 -21.4 -17.5 -10.5 -52.3 129 129 A E T <4 S+ 0 0 41 -3,-3.0 2,-0.3 -4,-0.3 -2,-0.2 0.542 128.7 17.1-114.3 -12.7 -16.8 -11.8 -48.7 130 130 A T < - 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