==== 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 4E5M . COMPND 2 MOLECULE: THERMOSTABLE PHOSPHITE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR Y.ZOU,H.ZHANG,S.K.NAIR . 657 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 54 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 2 2 4 6 2 6 0 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 12 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 201 0, 0.0 23,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.0 -16.1 -39.5 -13.5 2 2 A L - 0 0 82 1,-0.1 21,-0.2 21,-0.0 2,-0.1 -0.470 360.0-102.0 -79.3 147.6 -16.4 -35.7 -13.2 3 3 A P - 0 0 36 0, 0.0 21,-2.3 0, 0.0 2,-0.5 -0.446 38.7-120.1 -63.2 141.6 -17.0 -33.4 -16.2 4 4 A K E -a 24 0A 36 41,-0.3 44,-2.1 19,-0.2 43,-2.1 -0.754 26.7-165.4 -88.5 128.8 -13.8 -31.6 -17.3 5 5 A L E -ab 25 48A 0 19,-2.8 21,-2.8 -2,-0.5 2,-0.6 -0.965 5.9-156.3-116.0 124.5 -13.8 -27.8 -17.2 6 6 A V E -ab 26 49A 1 42,-2.5 44,-2.9 -2,-0.5 2,-0.6 -0.883 4.7-167.0 -98.5 122.7 -11.1 -25.8 -19.0 7 7 A I E - b 0 50A 0 19,-2.3 21,-0.3 -2,-0.6 44,-0.1 -0.949 4.7-162.2-110.9 112.6 -10.6 -22.3 -17.6 8 8 A T + 0 0 1 42,-1.8 26,-0.5 -2,-0.6 2,-0.3 0.681 66.8 32.7 -75.3 -21.1 -8.6 -20.3 -20.1 9 9 A H S S- 0 0 2 41,-0.3 19,-0.4 24,-0.1 22,-0.1 -0.898 97.3 -73.1-134.4 165.5 -7.4 -17.5 -17.8 10 10 A R - 0 0 101 20,-0.8 2,-0.3 -2,-0.3 19,-0.2 -0.279 49.1-174.3 -60.0 132.3 -6.6 -16.9 -14.2 11 11 A V - 0 0 5 -4,-0.1 291,-0.1 1,-0.0 2,-0.0 -0.842 34.5 -85.2-122.4 161.6 -9.5 -16.8 -11.8 12 12 A H >> - 0 0 66 -2,-0.3 3,-1.3 1,-0.1 4,-1.2 -0.377 39.8-119.1 -60.7 143.7 -9.8 -16.0 -8.0 13 13 A E H 3> S+ 0 0 135 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.850 112.1 64.2 -55.8 -35.9 -9.1 -19.1 -5.8 14 14 A E H 3> S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.824 100.2 52.1 -56.0 -35.0 -12.7 -18.9 -4.4 15 15 A I H <> S+ 0 0 0 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.869 107.6 50.9 -72.6 -37.8 -14.0 -19.7 -7.9 16 16 A L H X S+ 0 0 31 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.922 111.0 49.6 -60.7 -42.6 -11.8 -22.7 -8.2 17 17 A Q H < S+ 0 0 119 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.853 109.0 52.2 -66.4 -35.7 -13.1 -23.8 -4.8 18 18 A L H < S+ 0 0 63 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.866 118.1 36.6 -64.0 -37.4 -16.7 -23.3 -5.9 19 19 A L H >X S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.1 4,-1.4 0.773 96.4 79.1 -90.9 -30.4 -16.2 -25.5 -9.0 20 20 A A T 3< S+ 0 0 45 -4,-2.4 -1,-0.1 1,-0.3 -2,-0.1 0.802 85.6 59.4 -56.1 -39.1 -13.8 -28.3 -7.8 21 21 A P T 34 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.707 119.8 30.1 -62.5 -17.8 -16.5 -30.4 -6.1 22 22 A H T <4 S+ 0 0 105 -3,-1.9 2,-0.3 1,-0.2 -2,-0.2 0.562 121.0 41.3-116.2 -15.3 -18.3 -30.8 -9.4 23 23 A C S < S- 0 0 3 -4,-1.4 2,-0.7 -21,-0.2 -19,-0.2 -0.985 71.0-121.5-138.3 144.0 -15.6 -30.6 -12.1 24 24 A E E -a 4 0A 77 -21,-2.3 -19,-2.8 -2,-0.3 2,-0.4 -0.808 46.1-138.5 -75.6 117.8 -12.1 -31.8 -12.9 25 25 A L E -a 5 0A 43 -2,-0.7 2,-0.6 -21,-0.2 -19,-0.2 -0.695 24.7-172.7 -91.7 129.3 -10.4 -28.4 -13.3 26 26 A I E -a 6 0A 50 -21,-2.8 -19,-2.3 -2,-0.4 2,-0.2 -0.916 31.8-174.5-117.5 99.4 -7.9 -27.7 -16.1 27 27 A T - 0 0 53 -2,-0.6 2,-0.2 -21,-0.2 -19,-0.1 -0.461 40.1-154.5-107.4 162.8 -6.7 -24.2 -15.2 28 28 A N + 0 0 7 -19,-0.4 2,-1.5 -21,-0.3 6,-0.0 -0.689 22.4 170.8-129.7 77.2 -4.5 -21.4 -16.3 29 29 A Q + 0 0 56 -2,-0.2 2,-0.3 -19,-0.2 -20,-0.1 -0.431 49.9 90.6 -87.2 58.8 -3.6 -19.7 -13.0 30 30 A T S S- 0 0 56 -2,-1.5 -20,-0.8 2,-0.2 -2,-0.1 -0.836 86.9-111.9-136.9 174.5 -1.0 -17.4 -14.7 31 31 A D S S+ 0 0 92 -2,-0.3 2,-0.1 -22,-0.1 -2,-0.1 0.478 84.2 103.6 -89.0 -0.1 -1.2 -13.9 -16.3 32 32 A S - 0 0 48 433,-0.1 2,-0.5 434,-0.0 -2,-0.2 -0.355 68.5-132.4 -83.3 156.3 -0.6 -15.3 -19.8 33 33 A T - 0 0 68 -2,-0.1 -24,-0.1 -24,-0.1 2,-0.1 -0.956 30.4-137.4-100.9 124.6 -3.0 -15.9 -22.7 34 34 A L - 0 0 37 -2,-0.5 2,-0.0 -26,-0.5 -6,-0.0 -0.336 25.2 -92.5 -78.3 161.7 -2.4 -19.4 -24.1 35 35 A T > - 0 0 79 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.362 29.3-118.6 -68.9 154.8 -2.3 -20.2 -27.8 36 36 A R H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 117.6 56.9 -60.0 -37.1 -5.4 -21.3 -29.5 37 37 A E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 108.9 45.2 -59.7 -42.4 -3.6 -24.6 -30.3 38 38 A E H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.891 111.9 51.1 -69.1 -41.6 -3.0 -25.1 -26.6 39 39 A I H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 111.7 48.4 -61.6 -42.7 -6.6 -24.2 -25.7 40 40 A L H X S+ 0 0 57 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.898 109.2 53.3 -60.9 -43.7 -7.8 -26.7 -28.3 41 41 A R H < S+ 0 0 165 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.931 113.5 42.8 -54.9 -48.7 -5.5 -29.3 -26.8 42 42 A R H < S+ 0 0 61 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.834 117.1 46.5 -67.9 -34.9 -7.0 -28.8 -23.4 43 43 A C H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 24,-0.2 0.545 80.7 99.9 -87.4 -8.9 -10.6 -28.6 -24.6 44 44 A R T 3< S+ 0 0 185 -4,-1.2 23,-0.5 -3,-0.5 -1,-0.2 0.848 102.6 17.7 -49.1 -45.0 -10.5 -31.7 -26.9 45 45 A D T 3 S+ 0 0 71 -3,-0.4 -41,-0.3 -4,-0.3 -1,-0.3 0.063 100.6 124.8-115.6 23.4 -12.2 -34.0 -24.3 46 46 A A < - 0 0 0 -3,-1.8 21,-0.2 1,-0.1 -41,-0.2 -0.531 48.3-158.7 -85.0 150.0 -13.6 -31.2 -22.1 47 47 A Q S S+ 0 0 40 -43,-2.1 22,-2.8 -2,-0.2 23,-1.1 0.614 78.3 26.8 -95.6 -19.5 -17.3 -30.9 -21.1 48 48 A A E -bc 5 70A 0 -44,-2.1 -42,-2.5 20,-0.2 2,-0.4 -0.978 57.6-164.3-147.3 155.6 -17.0 -27.3 -20.3 49 49 A M E -bc 6 71A 1 21,-1.7 23,-3.3 -2,-0.3 2,-0.7 -0.992 11.8-153.4-140.7 129.0 -15.1 -24.1 -21.0 50 50 A M E -bc 7 72A 0 -44,-2.9 -42,-1.8 -2,-0.4 -41,-0.3 -0.942 31.4-163.0 -98.8 115.6 -14.9 -20.8 -19.1 51 51 A A E - c 0 73A 0 21,-2.0 23,-3.0 -2,-0.7 2,-0.2 -0.691 12.2-168.2-108.4 154.5 -14.0 -18.3 -21.8 52 52 A F > - 0 0 0 -2,-0.3 3,-2.1 21,-0.2 23,-0.1 -0.693 46.0 -77.2-131.2 176.8 -12.6 -14.8 -21.6 53 53 A M T 3 S+ 0 0 14 21,-0.3 27,-0.0 1,-0.3 412,-0.0 0.783 124.2 56.9 -54.8 -33.7 -12.2 -11.9 -24.1 54 54 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.680 89.9 99.2 -71.9 -12.8 -9.1 -13.3 -25.8 55 55 A D < - 0 0 11 -3,-2.1 2,-0.4 2,-0.0 213,-0.1 -0.371 51.3-169.8 -77.6 150.5 -11.0 -16.5 -26.7 56 56 A R - 0 0 48 -2,-0.1 2,-0.6 212,-0.1 25,-0.2 -0.954 0.5-169.7-141.1 119.3 -12.5 -17.2 -30.1 57 57 A V B +f 81 0B 0 23,-1.6 25,-2.9 -2,-0.4 2,-0.2 -0.944 16.5 162.1-116.2 114.4 -14.9 -20.1 -30.7 58 58 A D > - 0 0 50 -2,-0.6 4,-2.2 23,-0.2 3,-0.2 -0.591 56.6 -84.5-116.2-178.2 -15.8 -20.9 -34.3 59 59 A A H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.912 128.5 52.6 -52.7 -47.1 -17.3 -24.0 -36.1 60 60 A D H > S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.854 107.5 52.2 -57.7 -41.2 -13.8 -25.6 -36.4 61 61 A F H > S+ 0 0 16 -3,-0.2 4,-0.7 2,-0.2 3,-0.2 0.955 111.3 45.7 -60.0 -52.4 -13.3 -25.1 -32.7 62 62 A L H >< S+ 0 0 1 -4,-2.2 3,-0.8 1,-0.2 6,-0.2 0.870 109.3 55.3 -61.6 -39.2 -16.5 -26.9 -31.8 63 63 A Q H 3< S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 107.6 50.1 -60.7 -38.5 -15.9 -29.7 -34.2 64 64 A A H 3< S+ 0 0 46 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.611 111.7 50.8 -76.0 -14.1 -12.6 -30.4 -32.5 65 65 A C X< + 0 0 3 -3,-0.8 3,-1.5 -4,-0.7 -1,-0.2 -0.614 64.3 164.3-123.5 72.0 -14.3 -30.4 -29.1 66 66 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -21,-0.1 0.617 71.6 57.3 -70.3 -12.3 -17.2 -32.9 -29.6 67 67 A E T 3 S+ 0 0 94 -23,-0.5 2,-0.1 -24,-0.2 -22,-0.1 0.508 75.2 121.2 -96.1 -5.0 -17.8 -33.3 -25.8 68 68 A L < + 0 0 1 -3,-1.5 -20,-0.2 -6,-0.2 -21,-0.2 -0.376 26.9 167.3 -63.3 131.9 -18.4 -29.6 -25.0 69 69 A R + 0 0 111 -22,-2.8 23,-2.4 1,-0.3 2,-0.3 0.555 64.6 21.7-118.3 -20.9 -21.8 -29.0 -23.5 70 70 A V E -cd 48 92A 0 -23,-1.1 -21,-1.7 21,-0.2 2,-0.5 -0.976 48.6-164.6-154.2 135.0 -21.3 -25.4 -22.2 71 71 A I E -cd 49 93A 0 21,-2.5 23,-2.4 -2,-0.3 2,-0.8 -0.975 18.5-161.7-115.1 111.1 -19.1 -22.4 -22.9 72 72 A G E -cd 50 94A 0 -23,-3.3 -21,-2.0 -2,-0.5 2,-0.4 -0.857 8.7-153.8 -99.2 109.4 -19.5 -19.9 -20.0 73 73 A C E -c 51 0A 0 21,-2.2 2,-1.3 -2,-0.8 -21,-0.2 -0.710 13.3-152.3 -91.1 128.1 -18.2 -16.5 -21.1 74 74 A A S S+ 0 0 2 -23,-3.0 -21,-0.3 -2,-0.4 2,-0.3 -0.491 76.2 59.7 -91.2 62.2 -16.9 -14.1 -18.5 75 75 A L S S- 0 0 2 -2,-1.3 21,-2.4 229,-0.1 3,-0.1 -0.959 75.0-126.6-172.8 170.2 -17.9 -11.1 -20.6 76 76 A K S S+ 0 0 71 -2,-0.3 2,-1.0 19,-0.2 -1,-0.1 0.822 89.7 63.8-104.7 -47.9 -20.9 -9.4 -22.3 77 77 A G + 0 0 25 1,-0.1 3,-0.4 159,-0.1 -1,-0.2 -0.703 56.0 178.6 -85.0 102.8 -20.0 -8.9 -26.0 78 78 A F > + 0 0 53 -2,-1.0 3,-2.1 1,-0.2 5,-0.2 -0.102 32.9 133.2 -96.2 36.6 -19.6 -12.5 -27.4 79 79 A D T 3 S+ 0 0 42 1,-0.3 -1,-0.2 3,-0.1 -23,-0.0 0.722 70.3 55.9 -59.3 -22.7 -18.9 -11.3 -31.0 80 80 A N T 3 S+ 0 0 3 -3,-0.4 -23,-1.6 -25,-0.1 2,-0.5 0.337 94.1 81.8 -93.0 7.7 -15.9 -13.7 -31.2 81 81 A F B < S-f 57 0B 9 -3,-2.1 2,-1.7 -25,-0.2 -23,-0.2 -0.966 78.6-136.8-115.1 121.3 -18.2 -16.7 -30.3 82 82 A D > + 0 0 54 -25,-2.9 4,-2.0 -2,-0.5 3,-0.2 -0.599 26.2 178.4 -78.0 87.8 -20.2 -18.3 -33.2 83 83 A V H > S+ 0 0 32 -2,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.857 76.6 58.9 -61.8 -35.8 -23.4 -18.7 -31.2 84 84 A D H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 107.9 46.0 -59.8 -44.0 -25.2 -20.1 -34.3 85 85 A A H > S+ 0 0 15 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 111.7 52.0 -65.9 -41.2 -22.6 -23.0 -34.5 86 86 A C H <>S+ 0 0 0 -4,-2.0 5,-3.1 2,-0.2 4,-0.3 0.945 112.1 46.2 -55.6 -49.8 -23.0 -23.5 -30.7 87 87 A T H ><5S+ 0 0 50 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.899 111.1 51.5 -62.9 -43.0 -26.8 -23.8 -31.1 88 88 A A H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 113.4 45.7 -64.2 -31.0 -26.5 -26.1 -34.1 89 89 A R T 3<5S- 0 0 103 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.351 117.3-110.0 -96.5 5.3 -24.2 -28.4 -32.2 90 90 A G T < 5 + 0 0 21 -3,-1.1 2,-0.5 -4,-0.3 -3,-0.2 0.803 69.4 143.1 72.5 31.7 -26.2 -28.4 -28.9 91 91 A V < - 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