==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-JAN-12 4DIF . COMPND 2 MOLECULE: AMPHB; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES NODOSUS; . AUTHOR J.ZHENG,A.T.KEATINGE-CLAY . 952 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 4.8 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 . 4 0.4 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 . 70 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 2 1 0 3 4 2 5 2 3 2 1 2 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 8 6 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 PARALLEL BRIDGES PER LADDER . 0 6 0 2 0 0 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 . 4 0 0 0 0 0 0 0 0 0 0 0 0 2 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 S > 0 0 85 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 160.5 -20.5 6.9 7.5 2 -1 A H H > + 0 0 158 2,-0.2 4,-0.6 1,-0.2 428,-0.0 0.894 360.0 51.1 -58.5 -38.8 -22.6 7.5 4.4 3 0 A M H >4 S+ 0 0 61 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.907 106.9 52.4 -69.3 -39.8 -19.6 8.8 2.7 4 1 A D H >4 S+ 0 0 30 1,-0.2 3,-1.5 2,-0.2 203,-0.3 0.857 103.6 60.4 -53.7 -43.3 -17.6 5.7 3.7 5 2 A A H 3< S+ 0 0 55 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.656 97.0 59.1 -68.4 -14.0 -20.4 3.6 2.2 6 3 A L T << S+ 0 0 10 -3,-1.2 439,-2.7 -4,-0.6 2,-0.5 0.628 90.4 90.5 -80.5 -17.2 -19.8 5.2 -1.2 7 4 A R E < +A 444 0A 1 -3,-1.5 200,-2.6 -4,-0.4 2,-0.3 -0.733 48.5 170.8 -98.1 129.1 -16.3 4.0 -1.5 8 5 A Y E -AB 443 206A 8 435,-2.6 435,-2.2 -2,-0.5 2,-0.4 -0.891 15.3-151.0-127.9 160.6 -15.2 0.7 -3.0 9 6 A H E - B 0 205A 69 196,-2.9 196,-2.3 -2,-0.3 2,-0.4 -0.994 14.5-129.7-136.1 133.3 -11.7 -0.7 -3.8 10 7 A I E + B 0 204A 44 -2,-0.4 2,-0.3 194,-0.2 194,-0.2 -0.676 36.3 174.1 -77.7 127.0 -10.5 -3.2 -6.5 11 8 A E E - B 0 203A 74 192,-2.7 192,-3.0 -2,-0.4 2,-0.5 -0.893 27.6-129.1-128.1 167.6 -8.4 -6.0 -4.9 12 9 A W E - B 0 202A 38 -2,-0.3 2,-0.3 190,-0.2 190,-0.2 -0.980 24.8-169.9-124.7 119.2 -6.8 -9.2 -6.2 13 10 A N E - B 0 201A 52 188,-2.5 188,-2.6 -2,-0.5 2,-0.1 -0.851 28.9-101.7-109.9 151.9 -7.4 -12.4 -4.4 14 11 A R E - B 0 200A 117 -2,-0.3 186,-0.2 186,-0.2 2,-0.2 -0.352 41.6-174.4 -64.9 132.4 -5.8 -15.8 -4.7 15 12 A V - 0 0 11 184,-2.3 184,-0.4 1,-0.1 675,-0.1 -0.641 34.8 -58.9-120.0-175.0 -7.9 -18.4 -6.6 16 13 A A - 0 0 27 673,-0.3 675,-0.2 -2,-0.2 -1,-0.1 -0.282 48.9-110.0 -68.6 146.9 -7.4 -22.1 -7.4 17 14 A E - 0 0 95 673,-0.3 -1,-0.1 1,-0.1 161,-0.0 -0.575 44.4-122.6 -64.3 133.4 -4.5 -23.6 -9.2 18 15 A P - 0 0 27 0, 0.0 164,-0.1 0, 0.0 163,-0.1 -0.161 31.1 -83.4 -77.8 171.9 -5.9 -24.8 -12.5 19 16 A G - 0 0 53 162,-0.4 165,-0.1 166,-0.3 166,-0.1 -0.066 32.3-120.4 -67.1-179.7 -5.7 -28.3 -13.9 20 17 A T S S+ 0 0 149 161,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.421 79.9 89.9-107.1 -7.5 -2.7 -29.8 -15.7 21 18 A A S S- 0 0 68 160,-0.1 163,-0.2 159,-0.1 -2,-0.1 -0.804 70.1-130.4 -99.1 137.3 -4.2 -30.7 -19.1 22 19 A R - 0 0 109 -2,-0.4 159,-0.1 1,-0.2 -2,-0.1 -0.337 48.5 -68.6 -75.8 165.8 -4.2 -28.3 -22.0 23 20 A P - 0 0 4 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.245 39.1-141.7 -52.8 144.1 -7.4 -27.7 -23.9 24 21 A A S S+ 0 0 106 -3,-0.1 -2,-0.1 160,-0.1 160,-0.0 0.944 80.8 58.9 -71.4 -47.5 -8.5 -30.8 -25.9 25 22 A G S S- 0 0 36 1,-0.1 2,-0.3 54,-0.0 54,-0.1 -0.074 100.7 -76.0 -80.0 178.9 -9.7 -28.8 -28.9 26 23 A R - 0 0 113 52,-0.4 54,-3.1 50,-0.1 55,-0.7 -0.589 38.8-144.0 -83.0 137.6 -7.8 -26.4 -31.2 27 24 A L E -c 81 0A 1 -2,-0.3 26,-2.4 52,-0.2 2,-0.5 -0.664 3.7-145.3 -89.2 151.0 -6.8 -22.9 -30.1 28 25 A L E -cd 82 53A 0 53,-2.2 55,-3.3 -2,-0.3 2,-0.4 -0.976 14.8-159.6-113.0 116.7 -6.8 -19.9 -32.4 29 26 A A E -cd 83 54A 0 24,-3.4 26,-2.9 -2,-0.5 2,-0.5 -0.826 2.9-153.5 -97.3 134.3 -4.0 -17.4 -31.6 30 27 A V E -cd 84 55A 0 53,-2.7 55,-3.2 -2,-0.4 2,-0.4 -0.939 15.4-174.4-114.5 121.0 -4.3 -13.9 -32.9 31 28 A I E - d 0 56A 8 24,-2.5 26,-2.8 -2,-0.5 55,-0.1 -0.899 28.5-133.7-117.7 142.2 -1.1 -11.9 -33.4 32 29 A S > - 0 0 2 3,-0.4 3,-2.1 -2,-0.4 26,-0.1 -0.874 27.1-147.4 -92.1 109.2 -0.5 -8.3 -34.4 33 30 A P T 3 S+ 0 0 41 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.753 92.3 45.9 -64.7 -26.3 2.2 -8.9 -37.0 34 31 A D T 3 S+ 0 0 142 1,-0.2 3,-0.1 2,-0.1 24,-0.0 0.499 119.1 45.5 -87.2 2.9 4.3 -5.8 -36.5 35 32 A H S < S+ 0 0 53 -3,-2.1 -3,-0.4 1,-0.1 -1,-0.2 -0.412 76.3 106.7-140.9 55.7 4.1 -6.3 -32.7 36 33 A A + 0 0 32 -3,-0.4 -1,-0.1 -5,-0.1 -2,-0.1 0.280 57.5 83.4-120.0 11.5 4.9 -10.0 -32.3 37 34 A G + 0 0 65 -3,-0.1 -1,-0.1 4,-0.1 -2,-0.0 0.552 53.8 115.3-102.3 -12.8 8.4 -9.7 -30.9 38 35 A A S >> S- 0 0 34 1,-0.1 4,-2.0 -3,-0.1 3,-0.6 -0.289 73.0-119.2 -62.2 145.9 7.9 -9.1 -27.1 39 36 A P H 3> S+ 0 0 101 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.885 112.9 52.2 -53.7 -40.5 9.2 -11.8 -24.9 40 37 A W H 3> S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.861 106.7 54.1 -71.3 -26.5 5.8 -12.5 -23.4 41 38 A V H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.950 110.5 45.0 -69.3 -47.4 4.3 -12.9 -26.8 42 39 A T H X S+ 0 0 77 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.910 113.0 52.6 -60.2 -38.3 6.9 -15.5 -27.8 43 40 A A H X S+ 0 0 23 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.911 110.4 46.9 -67.3 -39.0 6.4 -17.3 -24.5 44 41 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.956 111.5 49.9 -68.1 -44.5 2.7 -17.5 -24.9 45 42 A L H X S+ 0 0 16 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.910 111.9 49.9 -58.3 -40.8 2.9 -18.7 -28.5 46 43 A D H >< S+ 0 0 137 -4,-2.4 3,-0.8 -5,-0.2 -1,-0.2 0.934 110.4 50.5 -63.2 -39.4 5.4 -21.4 -27.2 47 44 A A H 3< S+ 0 0 26 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.860 104.1 57.1 -70.7 -30.8 3.0 -22.4 -24.4 48 45 A L H 3< S- 0 0 1 -4,-2.4 -1,-0.3 -5,-0.1 4,-0.2 0.691 108.8-131.7 -75.0 -19.8 -0.0 -22.8 -26.8 49 46 A G X< - 0 0 16 -3,-0.8 3,-1.4 -4,-0.8 -1,-0.1 0.191 21.7 -78.2 85.3 158.7 2.0 -25.3 -28.8 50 47 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.671 121.1 66.6 -78.8 -5.4 2.6 -25.7 -32.5 51 48 A D T 3 S+ 0 0 103 -3,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.698 77.0 106.4 -82.7 -16.8 -0.9 -27.2 -33.3 52 49 A T S < S- 0 0 9 -3,-1.4 2,-0.3 -4,-0.2 -24,-0.2 -0.361 76.9-122.5 -60.4 129.8 -2.5 -23.9 -32.4 53 50 A V E -d 28 0A 22 -26,-2.4 -24,-3.4 -2,-0.0 2,-0.5 -0.667 24.7-144.7 -77.3 136.3 -3.7 -22.1 -35.5 54 51 A R E -d 29 0A 132 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.911 14.7-172.2-110.3 131.2 -2.2 -18.6 -36.0 55 52 A F E -d 30 0A 14 -26,-2.9 -24,-2.5 -2,-0.5 2,-0.7 -0.984 13.3-150.7-119.6 117.7 -4.0 -15.6 -37.4 56 53 A E E -d 31 0A 123 -2,-0.5 2,-1.0 -26,-0.2 -24,-0.2 -0.825 11.4-148.0 -86.3 114.9 -2.1 -12.5 -38.2 57 54 A A - 0 0 0 -26,-2.8 2,-0.5 -2,-0.7 48,-0.0 -0.750 19.4-161.7 -87.0 94.1 -4.4 -9.5 -37.8 58 55 A K - 0 0 153 -2,-1.0 3,-0.4 -26,-0.1 7,-0.1 -0.734 46.7 -37.6 -89.3 126.9 -3.1 -7.1 -40.4 59 56 A G S S- 0 0 37 -2,-0.5 2,-0.1 1,-0.2 -2,-0.0 -0.358 94.6 -61.1 69.3-146.5 -4.0 -3.4 -40.2 60 57 A T S S+ 0 0 42 -2,-0.1 2,-0.5 48,-0.0 -1,-0.2 -0.622 77.3 139.4-137.8 80.5 -7.5 -2.5 -39.1 61 58 A D > - 0 0 83 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.862 25.5-176.5-132.7 88.9 -9.9 -4.1 -41.7 62 59 A R H > S+ 0 0 72 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.916 85.4 47.7 -52.8 -51.5 -13.0 -5.6 -40.2 63 60 A A H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 112.0 50.1 -61.7 -42.2 -14.4 -7.0 -43.5 64 61 A A H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.945 113.3 45.5 -62.6 -44.5 -11.1 -8.5 -44.5 65 62 A W H X S+ 0 0 2 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.864 107.6 57.3 -66.2 -43.8 -10.6 -10.3 -41.2 66 63 A A H X S+ 0 0 15 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.934 110.2 45.6 -49.9 -45.2 -14.2 -11.5 -41.2 67 64 A A H X S+ 0 0 64 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.930 114.9 46.5 -65.3 -41.5 -13.4 -13.2 -44.5 68 65 A Q H X S+ 0 0 89 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.926 114.5 47.2 -70.0 -39.2 -10.1 -14.6 -43.3 69 66 A L H X S+ 0 0 0 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.858 107.1 56.8 -67.5 -39.8 -11.6 -15.9 -40.1 70 67 A A H X S+ 0 0 40 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.923 108.0 49.2 -58.6 -36.4 -14.6 -17.4 -41.9 71 68 A Q H X S+ 0 0 99 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.934 110.4 48.9 -70.7 -42.0 -12.1 -19.4 -43.9 72 69 A L H X S+ 0 0 37 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.890 111.4 51.0 -61.6 -42.7 -10.2 -20.6 -40.9 73 70 A R H X S+ 0 0 79 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.846 109.4 49.6 -66.6 -34.8 -13.4 -21.6 -39.2 74 71 A E H < S+ 0 0 151 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.926 115.0 44.3 -69.7 -44.3 -14.7 -23.6 -42.2 75 72 A D H < S+ 0 0 99 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.839 125.5 29.4 -63.7 -44.2 -11.4 -25.5 -42.4 76 73 A E H < S- 0 0 80 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.708 93.7-145.4 -98.9 -12.7 -10.9 -26.2 -38.7 77 74 A G < + 0 0 25 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.389 62.6 0.9 63.1-167.0 -14.4 -26.4 -37.5 78 75 A E S S- 0 0 147 -2,-0.1 -52,-0.4 1,-0.1 2,-0.3 -0.139 70.7-144.4 -52.4 134.8 -15.1 -25.2 -34.0 79 76 A F - 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