==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-SEP-07 2R5V . COMPND 2 MOLECULE: PCZA361.1; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS ORIENTALIS; . AUTHOR J.M.BROWNLEE,P.HE,G.R.MORAN,D.H.T.HARRISON . 676 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 . 38 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.9 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 1 0 2 0 4 5 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 2 4 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 PARALLEL BRIDGES PER LADDER . 2 2 1 1 4 3 7 2 2 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 0 0 0 4 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 2 A Q 0 0 74 0, 0.0 2,-0.3 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 174.2 -11.8 52.8 57.6 2 3 A N - 0 0 101 204,-0.1 78,-0.0 78,-0.1 203,-0.0 -0.655 360.0-145.2-136.3 84.7 -15.3 52.3 56.2 3 4 A F + 0 0 11 -2,-0.3 206,-0.5 178,-0.2 2,-0.3 -0.148 28.0 163.7 -79.6 134.0 -14.9 51.9 52.5 4 5 A E E -A 80 0A 96 76,-1.4 76,-3.0 205,-0.1 2,-0.6 -0.929 48.0 -96.9-127.7 155.0 -17.1 53.0 49.7 5 6 A I E +A 79 0A 41 -2,-0.3 74,-0.2 204,-0.3 3,-0.1 -0.608 36.8 178.0 -72.5 113.8 -16.3 53.2 46.0 6 7 A D E - 0 0 23 72,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.920 64.5 -39.0 -76.3 -52.1 -15.3 56.8 45.3 7 8 A Y E -A 78 0A 22 71,-1.1 71,-2.6 42,-0.1 2,-0.5 -0.968 47.5-123.2-164.7 164.7 -14.5 56.1 41.6 8 9 A V E -Ab 77 51A 0 42,-2.1 44,-3.3 -2,-0.3 2,-0.5 -0.987 26.5-152.5-116.5 126.5 -13.0 53.6 39.3 9 10 A E E -Ab 76 52A 22 67,-3.0 66,-3.0 -2,-0.5 67,-1.4 -0.872 9.7-170.7-106.0 124.1 -10.2 54.9 37.1 10 11 A M E -Ab 74 53A 10 42,-3.1 44,-2.3 -2,-0.5 2,-0.4 -0.922 19.6-134.9-106.8 140.7 -9.3 53.4 33.7 11 12 A Y E -Ab 73 54A 26 62,-2.5 62,-1.5 -2,-0.4 2,-0.3 -0.807 30.6-166.4 -89.2 132.7 -6.2 54.3 31.7 12 13 A V - 0 0 3 42,-2.5 3,-0.2 -2,-0.4 55,-0.1 -0.956 32.0-147.5-131.1 144.1 -7.1 54.9 28.1 13 14 A E S S+ 0 0 106 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.772 98.4 26.4 -68.0 -34.2 -5.2 55.3 24.7 14 15 A N > - 0 0 56 1,-0.1 4,-2.5 40,-0.1 -1,-0.3 -0.901 65.2-165.1-143.3 108.1 -7.7 57.7 23.4 15 16 A L H > S+ 0 0 15 -2,-0.4 4,-3.0 -3,-0.2 5,-0.2 0.895 89.1 46.9 -61.9 -46.4 -9.8 59.9 25.7 16 17 A E H > S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.856 113.7 48.4 -73.9 -31.7 -12.5 61.1 23.2 17 18 A V H > S+ 0 0 93 2,-0.2 4,-1.3 1,-0.1 -1,-0.2 0.927 117.0 42.7 -71.1 -43.6 -13.1 57.6 21.9 18 19 A A H X S+ 0 0 11 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.932 112.6 51.0 -70.8 -41.5 -13.4 56.1 25.4 19 20 A A H X S+ 0 0 1 -4,-3.0 4,-2.5 -5,-0.2 -1,-0.2 0.920 114.4 42.8 -62.9 -44.0 -15.5 58.8 26.9 20 21 A F H X S+ 0 0 100 -4,-1.4 4,-2.5 -5,-0.2 5,-0.3 0.694 105.2 62.8 -84.4 -13.8 -18.1 58.8 24.2 21 22 A S H X>S+ 0 0 43 -4,-1.3 4,-1.9 2,-0.2 5,-0.7 0.925 110.3 40.8 -68.0 -40.6 -18.2 55.1 24.1 22 23 A W H X5S+ 0 0 17 -4,-1.8 6,-1.8 3,-0.2 4,-0.9 0.910 118.6 47.0 -72.5 -45.4 -19.4 55.2 27.7 23 24 A V H X5S+ 0 0 15 -4,-2.5 4,-1.2 4,-0.2 -2,-0.2 0.967 121.6 35.3 -52.7 -55.1 -21.7 58.2 27.0 24 25 A D H <5S+ 0 0 102 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.960 127.1 31.7 -74.0 -55.6 -23.2 56.6 23.7 25 26 A K H <5S+ 0 0 49 -4,-1.9 235,-0.3 -5,-0.3 233,-0.2 0.900 135.1 24.4 -70.8 -39.0 -23.4 52.9 24.5 26 27 A Y H < -C 39 0A 63 3,-2.0 3,-0.9 -2,-0.3 21,-0.1 -0.915 60.8 -78.4-145.4 179.3 -2.1 68.8 33.8 37 38 A A T 3 S+ 0 0 101 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.689 129.6 38.5 -47.7 -20.7 1.2 68.8 31.9 38 39 A D T 3 S+ 0 0 44 1,-0.2 19,-2.4 22,-0.1 20,-1.0 0.509 118.3 15.0-120.3 3.0 1.0 65.0 31.9 39 40 A H E < -CE 36 56A 26 -3,-0.9 -3,-2.0 17,-0.3 2,-0.4 -0.996 48.2-143.6-158.8 164.3 -2.5 63.8 31.5 40 41 A R E +CE 35 55A 97 15,-2.5 15,-2.6 -2,-0.3 2,-0.3 -0.996 30.5 177.3-129.4 139.7 -6.1 64.6 30.4 41 42 A S E -CE 34 54A 3 -7,-2.9 -7,-2.1 -2,-0.4 2,-0.3 -0.951 17.7-158.5-139.5 151.7 -9.0 63.0 32.3 42 43 A I E -CE 33 53A 12 11,-2.1 11,-2.7 -2,-0.3 2,-0.6 -0.975 12.8-142.4-128.5 147.7 -12.7 63.0 32.4 43 44 A A E -CE 32 52A 0 -11,-2.5 -12,-2.9 -2,-0.3 -11,-1.3 -0.945 20.2-166.3-104.5 118.5 -15.1 62.0 35.2 44 45 A L E -CE 30 51A 0 7,-3.8 7,-2.1 -2,-0.6 2,-0.4 -0.804 4.0-161.6-105.2 152.4 -18.2 60.3 34.0 45 46 A R E +CE 29 50A 42 -16,-3.0 -16,-2.4 -2,-0.3 2,-0.2 -0.983 22.7 156.4-138.2 135.0 -21.4 59.7 36.2 46 47 A Q E > S- E 0 49A 19 3,-1.9 3,-2.3 -2,-0.4 2,-0.1 -0.756 74.2 -43.2-153.2 122.6 -24.5 57.4 36.2 47 48 A G T 3 S- 0 0 46 1,-0.3 110,-0.2 -2,-0.2 109,-0.2 -0.476 125.7 -24.5 59.4-126.4 -26.4 56.6 39.4 48 49 A Q T 3 S+ 0 0 92 108,-2.6 2,-0.5 -2,-0.1 -1,-0.3 0.359 113.1 108.0 -96.1 2.4 -23.7 55.9 42.0 49 50 A V E < - E 0 46A 2 -3,-2.3 -3,-1.9 106,-0.2 2,-0.5 -0.723 44.2-174.5 -81.5 122.7 -20.9 54.9 39.4 50 51 A T E - E 0 45A 4 -2,-0.5 -42,-2.1 -5,-0.2 2,-0.5 -0.982 7.0-171.7-111.5 116.1 -18.2 57.5 38.9 51 52 A L E -bE 8 44A 0 -7,-2.1 -7,-3.8 -2,-0.5 2,-0.5 -0.931 5.5-160.5-104.9 128.1 -15.8 56.3 36.1 52 53 A V E -bE 9 43A 2 -44,-3.3 -42,-3.1 -2,-0.5 2,-0.4 -0.931 2.0-163.0-105.0 133.8 -12.6 58.3 35.6 53 54 A L E -bE 10 42A 0 -11,-2.7 -11,-2.1 -2,-0.5 2,-0.4 -0.982 9.2-171.6-113.9 129.3 -10.8 58.0 32.2 54 55 A T E -bE 11 41A 0 -44,-2.3 -42,-2.5 -2,-0.4 -13,-0.2 -0.984 11.8-170.8-129.2 121.7 -7.2 59.1 32.0 55 56 A E E - E 0 40A 25 -15,-2.6 -15,-2.5 -2,-0.4 2,-0.2 -0.956 23.0-134.9-108.5 124.4 -5.0 59.5 29.0 56 57 A P E - E 0 39A 19 0, 0.0 -17,-0.3 0, 0.0 3,-0.1 -0.531 19.9-177.4 -71.6 139.6 -1.2 60.2 29.7 57 58 A T S S+ 0 0 64 -19,-2.4 2,-0.3 -2,-0.2 -18,-0.2 0.275 71.0 46.2-121.8 5.5 0.3 63.0 27.5 58 59 A S S > S- 0 0 46 -20,-1.0 3,-1.1 1,-0.0 6,-0.3 -0.989 79.8-126.1-141.3 146.0 3.7 62.5 28.9 59 60 A D T 3 S+ 0 0 144 -2,-0.3 6,-0.2 1,-0.2 -21,-0.1 0.650 105.7 75.5 -62.7 -15.1 5.9 59.5 29.6 60 61 A R T 3 S+ 0 0 78 4,-0.1 -1,-0.2 3,-0.0 -22,-0.1 0.882 78.7 87.5 -54.5 -44.3 6.2 60.9 33.2 61 62 A H S X> S- 0 0 22 -3,-1.1 3,-1.7 -23,-0.2 4,-0.6 -0.409 83.8-130.4 -65.6 136.0 2.6 59.6 33.9 62 63 A P H 3> S+ 0 0 89 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.730 101.9 72.1 -59.8 -21.3 2.3 56.0 35.1 63 64 A A H 3> S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.772 85.6 65.6 -59.6 -30.1 -0.5 55.3 32.4 64 65 A A H <> S+ 0 0 18 -3,-1.7 4,-1.9 -6,-0.3 -1,-0.2 0.973 108.8 37.0 -58.6 -50.9 2.2 55.4 29.6 65 66 A A H X S+ 0 0 63 -4,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.862 116.5 54.5 -68.3 -38.4 3.8 52.2 30.9 66 67 A Y H X S+ 0 0 13 -4,-1.8 4,-2.8 2,-0.2 5,-0.4 0.943 109.2 46.9 -59.0 -47.6 0.4 50.8 31.9 67 68 A L H X S+ 0 0 10 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.890 109.5 54.3 -67.0 -35.8 -1.0 51.2 28.3 68 69 A Q H < S+ 0 0 161 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.886 116.9 37.7 -63.2 -36.8 2.1 49.7 26.8 69 70 A T H < S+ 0 0 48 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.903 137.0 10.4 -76.2 -41.8 1.7 46.6 29.0 70 71 A H H < S- 0 0 4 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.536 84.1-132.2-120.2 -15.9 -2.1 46.2 29.0 71 72 A G S < S- 0 0 7 -4,-1.9 -1,-0.3 -5,-0.4 -60,-0.1 -0.479 76.3 -12.4 68.2-166.3 -3.9 48.4 26.5 72 73 A D S S+ 0 0 39 -2,-0.1 2,-0.3 -62,-0.1 244,-0.2 -0.242 89.2 132.6 -57.4 144.9 -6.9 50.2 28.2 73 74 A G E -A 11 0A 3 -62,-1.5 -62,-2.5 242,-0.1 2,-0.3 -0.966 58.8 -63.4-178.0 176.4 -7.8 48.9 31.7 74 75 A V E +A 10 0A 2 -2,-0.3 164,-0.3 164,-0.3 -64,-0.3 -0.554 44.4 166.8 -74.4 128.4 -8.7 49.5 35.2 75 76 A A E + 0 0 3 -66,-3.0 47,-2.2 1,-0.3 2,-0.3 0.592 61.8 25.3-113.8 -24.3 -5.8 51.1 37.1 76 77 A D E -Af 9 122A 6 -67,-1.4 -67,-3.0 45,-0.2 2,-0.8 -0.943 48.4-164.5-149.3 119.2 -7.3 52.4 40.4 77 78 A I E -A 8 0A 0 45,-2.2 2,-0.3 -2,-0.3 -69,-0.2 -0.913 30.9-154.5 -98.8 100.0 -10.3 51.4 42.5 78 79 A A E -A 7 0A 0 -71,-2.6 -72,-2.5 -2,-0.8 -71,-1.1 -0.662 5.8-154.0 -86.7 135.4 -10.5 54.4 44.6 79 80 A M E -Ag 5 125A 0 45,-2.5 47,-2.4 -2,-0.3 2,-0.3 -0.910 8.5-139.1-117.7 129.0 -12.1 54.1 48.1 80 81 A A E +Ag 4 126A 10 -76,-3.0 -76,-1.4 -2,-0.5 2,-0.3 -0.622 31.8 164.2 -75.8 133.5 -13.9 56.8 50.2 81 82 A T E - g 0 127A 3 45,-2.4 47,-2.0 -2,-0.3 3,-0.3 -0.981 42.8-125.6-143.9 155.4 -13.1 56.6 53.9 82 83 A S S S+ 0 0 85 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.803 102.8 30.3 -73.9 -25.2 -13.6 59.1 56.9 83 84 A D > + 0 0 84 1,-0.1 4,-2.2 43,-0.1 -1,-0.2 -0.834 62.6 176.4-137.2 96.8 -9.9 59.0 58.0 84 85 A V H > S+ 0 0 0 -2,-0.4 4,-2.8 -3,-0.3 5,-0.2 0.867 80.5 54.3 -66.6 -42.2 -7.3 58.4 55.3 85 86 A A H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 113.5 45.2 -61.6 -42.6 -4.1 58.8 57.4 86 87 A A H > S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.895 113.3 47.9 -62.5 -52.6 -5.5 56.2 59.8 87 88 A A H X S+ 0 0 9 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.899 115.8 45.7 -55.5 -46.6 -6.6 53.8 57.1 88 89 A Y H X S+ 0 0 35 -4,-2.8 4,-3.2 2,-0.2 5,-0.3 0.912 111.5 50.6 -60.4 -50.1 -3.2 54.1 55.3 89 90 A E H X S+ 0 0 98 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.917 115.2 43.5 -58.4 -46.4 -1.2 53.7 58.5 90 91 A A H X S+ 0 0 45 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.916 114.5 49.7 -68.6 -45.3 -3.1 50.5 59.5 91 92 A A H <>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 4,-0.3 0.924 113.1 45.6 -56.6 -52.7 -3.0 49.1 56.0 92 93 A V H ><5S+ 0 0 45 -4,-3.2 3,-2.0 3,-0.2 -2,-0.2 0.948 112.8 50.4 -59.9 -46.0 0.8 49.7 55.5 93 94 A R H 3<5S+ 0 0 141 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.909 109.4 52.9 -58.5 -38.8 1.5 48.2 59.0 94 95 A A T 3<5S- 0 0 33 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.476 137.1 -81.4 -74.9 1.0 -0.7 45.2 58.0 95 96 A G T < 5S+ 0 0 3 -3,-2.0 290,-0.3 -4,-0.3 -3,-0.2 0.342 77.8 146.3 121.5 -10.4 1.4 44.7 54.9 96 97 A A < - 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