==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAR-12 4E5K . COMPND 2 MOLECULE: PHOSPHITE DEHYDROGENASE (THERMOSTABLE VARIANT); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR Y.ZOU,H.ZHANG,S.K.NAIR . 1315 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 900 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 207 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 109 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 352 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 1.7 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 5 6 4 14 3 10 2 0 0 0 0 0 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 1 23 8 8 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 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 0 239 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.6 4.2 -41.9 47.5 2 2 A L - 0 0 85 1,-0.1 22,-0.4 21,-0.0 21,-0.2 -0.646 360.0 -92.6 -80.3 138.1 3.1 -38.5 46.1 3 3 A P - 0 0 38 0, 0.0 21,-1.0 0, 0.0 2,-0.4 -0.207 45.1-117.0 -49.8 130.1 5.9 -36.2 44.5 4 4 A K E -a 24 0A 40 41,-0.3 44,-1.9 19,-0.2 43,-1.5 -0.603 28.7-166.4 -80.8 123.6 7.2 -33.8 47.1 5 5 A L E -ab 25 48A 0 19,-3.0 21,-2.8 -2,-0.4 2,-0.5 -0.955 4.7-159.8-112.5 120.2 6.7 -30.1 46.5 6 6 A V E -ab 26 49A 1 42,-2.3 44,-2.6 -2,-0.5 2,-0.5 -0.886 3.8-165.5 -93.2 124.3 8.6 -27.4 48.4 7 7 A I E - b 0 50A 0 19,-2.9 44,-0.1 -2,-0.5 21,-0.1 -0.956 4.8-160.5-111.2 120.7 7.0 -24.0 48.4 8 8 A T + 0 0 1 42,-1.8 26,-0.4 -2,-0.5 2,-0.2 0.748 67.5 26.1 -82.0 -23.8 9.4 -21.4 49.6 9 9 A H S S- 0 0 1 41,-0.3 19,-0.4 24,-0.1 2,-0.2 -0.780 97.9 -68.0-131.0 177.7 7.0 -18.6 50.5 10 10 A R - 0 0 91 20,-0.6 2,-0.3 -2,-0.2 19,-0.1 -0.436 49.6-176.8 -72.3 134.7 3.4 -18.1 51.6 11 11 A V - 0 0 4 -2,-0.2 291,-0.1 -4,-0.1 5,-0.0 -0.850 35.7 -81.5-126.1 162.5 0.7 -18.9 49.0 12 12 A H >> - 0 0 50 -2,-0.3 3,-1.8 1,-0.1 4,-1.3 -0.335 38.2-118.6 -64.3 144.4 -3.1 -18.6 49.0 13 13 A E H 3> S+ 0 0 140 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.820 113.1 63.1 -51.5 -31.8 -5.0 -21.5 50.7 14 14 A E H 3> S+ 0 0 80 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.744 99.0 51.8 -67.4 -30.1 -6.6 -22.2 47.3 15 15 A I H <> S+ 0 0 0 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.856 108.2 51.9 -76.5 -39.0 -3.3 -23.0 45.6 16 16 A L H X S+ 0 0 24 -4,-1.3 4,-3.5 2,-0.2 -2,-0.2 0.948 109.6 48.5 -60.3 -50.0 -2.5 -25.5 48.3 17 17 A Q H < S+ 0 0 133 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.786 110.2 55.0 -60.6 -25.8 -5.9 -27.2 47.9 18 18 A L H < S+ 0 0 58 -4,-0.8 4,-0.3 -5,-0.2 -1,-0.2 0.908 119.1 30.1 -70.4 -43.2 -5.1 -27.2 44.2 19 19 A L H >X S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.1 4,-1.4 0.839 98.7 81.9 -84.7 -38.0 -1.8 -29.1 44.7 20 20 A A T 3< S+ 0 0 51 -4,-3.5 -1,-0.1 1,-0.3 -3,-0.1 0.693 90.4 53.1 -50.1 -35.7 -2.4 -31.2 47.8 21 21 A P T 34 S+ 0 0 87 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.852 115.3 41.5 -59.9 -37.9 -4.2 -34.0 45.9 22 22 A H T <4 S- 0 0 113 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.2 0.678 125.7 -0.2 -89.5 -21.9 -1.3 -34.3 43.4 23 23 A C S < S- 0 0 1 -4,-1.4 2,-0.4 -21,-0.2 -19,-0.2 -0.988 74.1 -92.4-162.0 164.2 1.7 -34.1 45.8 24 24 A E E -a 4 0A 95 -21,-1.0 -19,-3.0 -22,-0.4 2,-0.4 -0.729 43.7-137.2 -90.6 134.0 2.9 -33.6 49.4 25 25 A L E -a 5 0A 45 -2,-0.4 2,-0.6 -21,-0.2 -19,-0.2 -0.755 19.4-169.3-103.2 130.3 3.5 -30.1 50.4 26 26 A I E -a 6 0A 49 -21,-2.8 -19,-2.9 -2,-0.4 2,-0.2 -0.968 33.1-171.8-109.6 109.3 6.4 -28.6 52.3 27 27 A T - 0 0 51 -2,-0.6 2,-0.1 -21,-0.2 -19,-0.1 -0.515 38.2-154.9-107.4 163.0 5.2 -25.1 53.0 28 28 A N + 0 0 7 -19,-0.4 2,-1.6 -2,-0.2 6,-0.0 -0.645 22.6 173.0-129.8 74.0 6.5 -21.8 54.4 29 29 A Q + 0 0 71 -19,-0.1 2,-0.3 -2,-0.1 -20,-0.1 -0.225 48.7 94.5 -78.9 46.0 3.1 -20.3 55.5 30 30 A T S S- 0 0 54 -2,-1.6 -20,-0.6 2,-0.2 -2,-0.1 -0.818 86.5-114.7-127.3 168.4 4.9 -17.3 57.2 31 31 A D S S+ 0 0 47 -2,-0.3 2,-0.2 -22,-0.1 -2,-0.1 0.476 84.7 105.6 -82.2 0.6 5.8 -13.8 56.0 32 32 A S - 0 0 59 1093,-0.1 2,-0.6 1,-0.0 -2,-0.2 -0.523 70.0-130.6 -95.0 145.7 9.5 -14.7 56.3 33 33 A T - 0 0 66 -2,-0.2 -24,-0.1 -24,-0.1 -2,-0.1 -0.816 34.1-134.5 -84.5 118.3 12.3 -15.6 53.9 34 34 A L - 0 0 39 -2,-0.6 2,-0.1 -26,-0.4 -6,-0.0 -0.315 23.9 -94.8 -69.5 155.5 14.0 -18.8 55.0 35 35 A T > - 0 0 96 1,-0.1 4,-2.1 -2,-0.0 3,-0.3 -0.354 32.3-117.2 -62.1 148.8 17.8 -19.4 55.2 36 36 A R H > S+ 0 0 115 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.889 116.7 55.9 -57.3 -40.2 19.4 -21.0 52.1 37 37 A E H > S+ 0 0 166 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 107.6 48.9 -59.9 -36.7 20.5 -24.0 54.3 38 38 A E H > S+ 0 0 40 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.889 112.6 47.3 -70.1 -39.4 16.9 -24.5 55.3 39 39 A I H X S+ 0 0 10 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.947 112.8 48.7 -65.5 -48.0 15.7 -24.3 51.7 40 40 A L H X S+ 0 0 49 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.880 111.3 51.3 -55.1 -43.3 18.5 -26.8 50.7 41 41 A R H < S+ 0 0 154 -4,-2.1 3,-0.3 -5,-0.2 4,-0.3 0.915 113.2 43.7 -63.3 -44.8 17.5 -29.1 53.5 42 42 A R H < S+ 0 0 52 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.873 117.0 45.6 -69.4 -37.4 13.9 -29.1 52.5 43 43 A C H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 24,-0.2 0.576 82.2 99.8 -83.8 -10.5 14.6 -29.5 48.7 44 44 A R T 3< S+ 0 0 153 -4,-1.2 23,-0.5 -3,-0.3 -1,-0.2 0.816 102.3 17.2 -49.8 -40.8 17.2 -32.2 49.1 45 45 A D T 3 S+ 0 0 71 -3,-0.5 -41,-0.3 -4,-0.3 -1,-0.3 0.285 98.8 123.9-116.0 11.2 14.7 -35.0 48.2 46 46 A A < - 0 0 0 -3,-1.1 21,-0.2 -4,-0.1 -41,-0.2 -0.427 50.6-154.1 -70.6 144.5 11.9 -32.9 46.6 47 47 A Q S S+ 0 0 40 -43,-1.5 22,-4.1 1,-0.2 23,-1.1 0.679 79.6 16.6 -87.5 -20.2 10.7 -33.6 43.1 48 48 A A E -bc 5 70A 0 -44,-1.9 -42,-2.3 20,-0.2 2,-0.4 -0.989 60.0-157.6-151.8 155.8 9.6 -30.0 42.6 49 49 A M E -bc 6 71A 1 21,-2.2 23,-2.6 -2,-0.3 2,-0.7 -0.999 12.5-148.2-136.2 132.8 9.9 -26.4 43.9 50 50 A M E -bc 7 72A 0 -44,-2.6 -42,-1.8 -2,-0.4 -41,-0.3 -0.907 32.7-162.4 -95.0 110.8 7.8 -23.3 43.7 51 51 A A E - c 0 73A 0 21,-1.7 23,-2.7 -2,-0.7 2,-0.2 -0.582 11.2-170.1 -97.2 161.1 10.2 -20.4 43.7 52 52 A F > - 0 0 0 -2,-0.2 3,-1.9 21,-0.2 23,-0.1 -0.744 46.4 -70.8-135.7 179.0 9.9 -16.7 44.4 53 53 A M T 3 S+ 0 0 11 21,-0.3 27,-0.1 1,-0.3 1072,-0.1 0.824 125.8 51.0 -42.8 -48.5 11.8 -13.4 44.1 54 54 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.601 91.8 98.6 -71.8 -9.6 14.2 -14.2 47.1 55 55 A D < - 0 0 7 -3,-1.9 2,-0.4 2,-0.0 25,-0.1 -0.406 50.2-171.0 -84.1 149.9 15.2 -17.7 45.7 56 56 A R - 0 0 37 -2,-0.1 2,-0.5 212,-0.1 25,-0.2 -0.982 1.6-168.3-144.2 129.7 18.3 -18.4 43.8 57 57 A V B +f 81 0B 0 23,-2.1 25,-3.3 -2,-0.4 2,-0.2 -0.972 15.3 158.9-126.0 116.7 19.2 -21.6 42.0 58 58 A D > - 0 0 34 -2,-0.5 4,-2.0 23,-0.2 3,-0.4 -0.658 58.0 -85.1-119.0-178.1 22.6 -22.4 40.6 59 59 A A H > S+ 0 0 44 1,-0.2 4,-2.5 -2,-0.2 5,-0.1 0.817 126.6 55.6 -55.7 -38.5 24.4 -25.6 39.7 60 60 A D H > S+ 0 0 117 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.863 106.8 50.0 -66.2 -36.8 25.5 -26.2 43.3 61 61 A F H 4 S+ 0 0 5 -3,-0.4 4,-0.5 2,-0.2 -2,-0.2 0.921 113.8 45.9 -62.3 -47.2 21.9 -26.0 44.5 62 62 A L H >< S+ 0 0 2 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.821 106.5 57.7 -66.8 -36.8 20.9 -28.5 41.8 63 63 A Q H 3< S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.926 109.5 46.7 -60.2 -40.9 23.8 -30.9 42.6 64 64 A A T 3< S+ 0 0 34 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.576 113.8 49.0 -77.7 -9.1 22.5 -31.0 46.2 65 65 A C X + 0 0 3 -3,-0.6 3,-1.4 -4,-0.5 -1,-0.2 -0.611 64.5 163.6-128.4 72.4 18.8 -31.7 45.1 66 66 A P T 3 + 0 0 81 0, 0.0 -21,-0.1 0, 0.0 -1,-0.1 0.523 67.9 62.1 -76.6 -7.2 19.1 -34.5 42.5 67 67 A E T 3 S+ 0 0 99 -23,-0.5 -22,-0.1 -24,-0.2 -23,-0.1 0.600 72.2 123.4 -93.5 -11.7 15.4 -35.4 42.6 68 68 A L < + 0 0 9 -3,-1.4 -20,-0.2 -6,-0.2 -21,-0.2 -0.247 26.6 168.1 -53.7 123.1 14.2 -32.0 41.3 69 69 A R + 0 0 108 -22,-4.1 23,-2.5 1,-0.3 2,-0.3 0.682 65.5 17.3-104.5 -29.4 12.1 -32.4 38.1 70 70 A V E -cd 48 92A 0 -23,-1.1 -21,-2.2 21,-0.2 2,-0.6 -0.996 48.7-160.3-150.5 138.4 10.7 -28.8 38.0 71 71 A I E -cd 49 93A 0 21,-3.1 23,-2.5 -2,-0.3 2,-0.9 -0.954 18.0-161.9-115.9 106.1 11.2 -25.3 39.4 72 72 A G E -cd 50 94A 0 -23,-2.6 -21,-1.7 -2,-0.6 2,-0.5 -0.807 8.8-157.0 -88.2 102.1 8.0 -23.3 39.0 73 73 A C E -c 51 0A 0 21,-2.0 2,-1.2 -2,-0.9 -21,-0.2 -0.731 11.6-155.1 -86.5 124.0 8.9 -19.6 39.3 74 74 A A S S+ 0 0 0 -23,-2.7 -21,-0.3 -2,-0.5 2,-0.3 -0.530 72.0 65.5 -87.0 64.1 6.1 -17.2 40.4 75 75 A L S S- 0 0 3 -2,-1.2 21,-2.1 -23,-0.1 -2,-0.1 -0.957 76.0-126.1-167.8 174.5 7.8 -14.2 38.7 76 76 A K S S+ 0 0 68 -2,-0.3 2,-0.8 19,-0.2 -1,-0.1 0.809 90.2 67.0-102.3 -46.1 8.9 -12.8 35.3 77 77 A G + 0 0 18 1,-0.1 3,-0.3 159,-0.1 -1,-0.2 -0.715 54.4 178.3 -86.0 109.4 12.6 -12.1 35.8 78 78 A F > + 0 0 68 -2,-0.8 3,-2.3 1,-0.2 5,-0.2 0.069 37.1 126.8-102.6 26.6 14.5 -15.4 36.2 79 79 A D T 3 S+ 0 0 37 1,-0.3 -1,-0.2 3,-0.1 4,-0.0 0.745 71.1 56.7 -54.2 -26.9 18.0 -13.8 36.4 80 80 A N T 3 S+ 0 0 10 -3,-0.3 -23,-2.1 -25,-0.1 2,-0.6 0.383 94.5 79.2 -88.1 4.6 18.7 -15.7 39.7 81 81 A F B < S-f 57 0B 7 -3,-2.3 2,-1.5 -25,-0.2 -23,-0.2 -0.953 80.1-132.7-119.3 118.8 18.0 -19.1 38.2 82 82 A D > - 0 0 66 -25,-3.3 4,-1.9 -2,-0.6 3,-0.1 -0.510 25.0-176.1 -72.1 91.5 20.6 -20.8 36.2 83 83 A V H > S+ 0 0 28 -2,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.890 80.5 50.7 -54.8 -48.0 18.5 -21.8 33.2 84 84 A D H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.863 108.3 51.0 -63.3 -38.3 21.3 -23.7 31.5 85 85 A A H > S+ 0 0 15 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.869 110.6 51.0 -66.7 -35.5 22.2 -25.7 34.6 86 86 A C H >X>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 3,-1.3 0.971 110.9 47.8 -62.6 -52.0 18.5 -26.7 34.9 87 87 A T H ><5S+ 0 0 47 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.921 109.8 52.0 -52.0 -50.4 18.5 -27.8 31.3 88 88 A A H 3<5S+ 0 0 87 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.622 112.7 46.2 -66.1 -14.9 21.7 -29.8 31.7 89 89 A R H <<5S- 0 0 106 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.388 116.9-112.5-107.1 -2.8 20.2 -31.6 34.7 90 90 A G T <<5 + 0 0 40 -3,-1.6 2,-0.5 -4,-0.6 -3,-0.2 0.828 69.4 142.2 75.7 31.8 16.9 -32.2 33.0 91 91 A V < - 0 0 4 -5,-2.7 -1,-0.3 -6,-0.1 2,-0.3 -0.925 49.5-128.7-108.4 127.0 15.0 -29.9 35.3 92 92 A W E -d 70 0A 32 -23,-2.5 -21,-3.1 -2,-0.5 2,-0.5 -0.568 17.4-159.6 -70.2 134.0 12.2 -27.7 33.9 93 93 A L E -d 71 0A 0 -2,-0.3 232,-4.2 -23,-0.2 233,-0.9 -0.982 16.0-177.9-114.3 119.1 12.4 -24.0 34.6 94 94 A T E -dE 72 324A 0 -23,-2.5 -21,-2.0 -2,-0.5 230,-0.2 -0.825 6.6-178.3-118.4 156.5 9.1 -22.2 34.3 95 95 A F - 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