==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-APR-10 3MJE . COMPND 2 MOLECULE: AMPHB; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES NODOSUS; . AUTHOR J.ZHENG,C.A.TAYLOR,S.K.PIASECKI,A.T.KEATINGE-CLAY . 938 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 682 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 4.9 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 . 72 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 4 2 1 1 2 4 4 2 3 3 1 1 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 . 6 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 78 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-169.0 -20.3 6.7 7.3 2 -1 A H H > + 0 0 155 2,-0.2 4,-0.6 1,-0.1 423,-0.0 0.916 360.0 47.2 -62.4 -45.1 -22.6 7.6 4.4 3 0 A M H >4 S+ 0 0 60 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.928 110.2 51.6 -65.8 -40.1 -19.5 8.9 2.6 4 1 A D H >4 S+ 0 0 27 1,-0.3 3,-1.7 2,-0.2 203,-0.3 0.890 101.8 62.0 -59.7 -37.3 -17.5 5.7 3.4 5 2 A A H 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.665 98.4 56.8 -70.6 -15.0 -20.4 3.6 2.0 6 3 A L T << S+ 0 0 9 -3,-1.2 434,-2.5 -4,-0.6 2,-0.5 0.648 91.0 90.1 -82.3 -14.6 -19.8 5.2 -1.5 7 4 A R E < +A 439 0A 2 -3,-1.7 200,-2.6 -4,-0.5 2,-0.3 -0.710 47.5 162.9 -98.5 131.7 -16.1 4.1 -1.6 8 5 A Y E -AB 438 206A 8 430,-2.6 430,-2.3 -2,-0.5 2,-0.3 -0.900 14.9-160.1-130.7 158.1 -15.1 0.8 -3.1 9 6 A H E - B 0 205A 53 196,-2.8 196,-2.4 -2,-0.3 2,-0.4 -0.992 21.1-112.9-141.8 157.6 -11.8 -0.5 -4.3 10 7 A I E + B 0 204A 47 -2,-0.3 2,-0.3 194,-0.2 194,-0.2 -0.682 36.5 175.9 -83.9 132.1 -10.4 -3.2 -6.5 11 8 A E E - B 0 203A 68 192,-2.7 192,-2.7 -2,-0.4 2,-0.5 -0.863 24.0-133.5-128.7 164.6 -8.4 -6.0 -4.9 12 9 A W E - B 0 202A 39 -2,-0.3 2,-0.3 190,-0.2 190,-0.2 -0.985 23.7-172.5-125.5 123.3 -6.8 -9.1 -6.2 13 10 A N E - B 0 201A 54 188,-2.4 188,-2.4 -2,-0.5 2,-0.0 -0.871 30.2 -99.0-121.1 151.3 -7.3 -12.4 -4.4 14 11 A R E - B 0 200A 115 -2,-0.3 186,-0.2 186,-0.2 2,-0.2 -0.292 40.0-170.7 -67.8 138.5 -5.8 -15.8 -4.9 15 12 A V - 0 0 9 184,-2.5 184,-0.3 1,-0.1 670,-0.1 -0.674 36.0 -60.2-118.3-178.9 -7.8 -18.4 -6.8 16 13 A A - 0 0 28 668,-0.3 670,-0.2 -2,-0.2 -1,-0.1 -0.275 51.1-108.6 -64.0 144.3 -7.4 -22.1 -7.4 17 14 A E - 0 0 94 668,-0.3 -1,-0.1 1,-0.1 161,-0.0 -0.513 45.8-119.3 -59.3 132.1 -4.4 -23.6 -9.1 18 15 A P - 0 0 26 0, 0.0 164,-0.1 0, 0.0 163,-0.1 -0.194 31.8 -87.2 -71.0 171.7 -5.7 -24.7 -12.5 19 16 A G - 0 0 54 162,-0.3 165,-0.1 166,-0.3 166,-0.1 -0.096 31.8-118.5 -72.9 176.9 -5.6 -28.2 -13.8 20 17 A T S S+ 0 0 151 161,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.488 80.0 90.5 -97.9 -11.9 -2.7 -29.7 -15.6 21 18 A A - 0 0 65 160,-0.1 163,-0.2 1,-0.1 -2,-0.1 -0.738 69.9-130.8 -90.0 137.8 -4.1 -30.7 -19.0 22 19 A R - 0 0 109 -2,-0.4 159,-0.1 1,-0.2 -1,-0.1 -0.280 49.6 -66.7 -75.3 171.0 -4.0 -28.2 -21.9 23 20 A P - 0 0 5 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.306 40.5-141.1 -60.8 141.7 -7.2 -27.6 -23.8 24 21 A A S S+ 0 0 111 160,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.937 80.3 55.1 -69.9 -45.4 -8.4 -30.6 -25.9 25 22 A G S S- 0 0 36 1,-0.1 2,-0.3 54,-0.0 54,-0.1 -0.138 101.7 -73.9 -85.5-176.9 -9.6 -28.8 -28.9 26 23 A R - 0 0 112 52,-0.4 54,-2.9 50,-0.1 55,-0.7 -0.521 39.5-144.3 -88.4 134.2 -7.6 -26.4 -31.1 27 24 A L E -c 81 0A 1 -2,-0.3 26,-2.6 52,-0.2 2,-0.5 -0.658 3.8-146.1 -90.0 152.5 -6.7 -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 13.9-159.7-114.4 118.2 -6.6 -19.9 -32.4 29 26 A A E -cd 83 54A 0 24,-3.3 26,-3.1 -2,-0.5 2,-0.5 -0.854 3.0-153.5 -98.4 136.0 -3.9 -17.4 -31.6 30 27 A V E -cd 84 55A 0 53,-2.6 55,-3.1 -2,-0.4 2,-0.4 -0.942 15.3-174.6-114.4 123.7 -4.2 -13.8 -32.9 31 28 A I E - d 0 56A 9 24,-2.6 26,-2.6 -2,-0.5 55,-0.1 -0.903 29.1-132.7-118.5 141.2 -1.0 -11.9 -33.4 32 29 A S > - 0 0 1 3,-0.4 3,-2.4 -2,-0.4 26,-0.1 -0.876 27.3-146.1 -90.3 113.3 -0.4 -8.3 -34.4 33 30 A P T 3 S+ 0 0 37 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.766 92.9 46.9 -66.7 -22.0 2.3 -8.9 -37.1 34 31 A D T 3 S+ 0 0 140 1,-0.2 3,-0.1 2,-0.1 24,-0.0 0.451 118.5 43.3 -88.6 -0.7 4.3 -5.7 -36.5 35 32 A H S < S+ 0 0 53 -3,-2.4 -3,-0.4 1,-0.1 -1,-0.2 -0.388 76.4 108.0-142.7 57.6 4.2 -6.3 -32.8 36 33 A A + 0 0 33 -3,-0.5 -1,-0.1 -5,-0.1 -2,-0.1 0.247 58.0 82.6-119.4 12.4 4.9 -9.9 -32.3 37 34 A G + 0 0 64 -3,-0.1 -1,-0.1 4,-0.1 -2,-0.0 0.493 53.3 116.1-104.8 -3.6 8.5 -9.7 -30.9 38 35 A A S >> S- 0 0 35 1,-0.1 4,-2.0 -3,-0.1 3,-0.7 -0.347 73.6-118.5 -62.7 145.5 8.0 -9.0 -27.2 39 36 A P H 3> S+ 0 0 110 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.888 113.5 53.7 -51.4 -42.7 9.4 -11.7 -25.0 40 37 A W H 3> S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.874 105.1 55.0 -68.5 -25.6 6.0 -12.4 -23.4 41 38 A V H <> S+ 0 0 1 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.944 110.8 46.2 -66.5 -46.9 4.4 -12.8 -26.9 42 39 A T H X S+ 0 0 86 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.921 112.3 50.2 -56.6 -44.2 7.1 -15.5 -27.7 43 40 A A H X S+ 0 0 26 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.906 111.6 47.1 -67.0 -38.1 6.6 -17.2 -24.5 44 41 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.949 111.9 50.1 -69.2 -43.5 2.8 -17.4 -24.9 45 42 A L H X S+ 0 0 17 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.932 111.9 49.2 -60.9 -37.6 3.1 -18.7 -28.5 46 43 A D H >< S+ 0 0 133 -4,-2.8 3,-0.9 -5,-0.2 -1,-0.2 0.941 110.2 51.0 -68.1 -35.5 5.5 -21.3 -27.3 47 44 A A H 3< S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.877 105.1 56.0 -67.4 -34.5 3.1 -22.3 -24.4 48 45 A L H 3< S- 0 0 1 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.3 0.693 108.7-137.3 -68.2 -21.7 0.2 -22.7 -26.8 49 46 A G X< - 0 0 15 -3,-0.9 3,-1.5 -4,-0.7 -2,-0.1 0.263 22.7 -73.4 80.0 165.2 2.2 -25.2 -28.8 50 47 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.644 121.3 65.7 -74.2 -12.6 2.7 -25.7 -32.4 51 48 A D T 3 S+ 0 0 114 -3,-0.2 -2,-0.1 2,-0.1 2,-0.1 0.628 76.6 109.2 -82.1 -13.9 -0.7 -27.2 -33.2 52 49 A T S < S- 0 0 12 -3,-1.5 2,-0.3 -4,-0.3 -24,-0.2 -0.370 75.2-124.9 -56.8 130.8 -2.3 -23.8 -32.3 53 50 A V E -d 28 0A 18 -26,-2.6 -24,-3.3 -2,-0.1 2,-0.5 -0.639 25.5-145.3 -78.0 144.3 -3.6 -22.1 -35.5 54 51 A R E -d 29 0A 129 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.906 15.1-171.5-119.3 130.8 -2.1 -18.6 -35.9 55 52 A F E -d 30 0A 14 -26,-3.1 -24,-2.6 -2,-0.5 2,-0.7 -0.983 12.7-151.1-118.4 120.6 -3.9 -15.6 -37.4 56 53 A E E -d 31 0A 118 -2,-0.5 2,-1.0 -26,-0.2 -24,-0.2 -0.858 10.9-148.9 -89.6 119.8 -2.0 -12.4 -38.1 57 54 A A - 0 0 0 -26,-2.6 2,-0.5 -2,-0.7 48,-0.0 -0.758 19.1-161.5 -92.6 101.7 -4.4 -9.5 -37.9 58 55 A K - 0 0 136 -2,-1.0 3,-0.4 -26,-0.1 2,-0.1 -0.745 47.6 -35.4 -94.2 127.7 -3.0 -7.0 -40.4 59 56 A G S S- 0 0 43 -2,-0.5 2,-0.1 1,-0.2 -2,-0.0 -0.405 95.2 -61.4 70.2-144.3 -4.0 -3.3 -40.2 60 57 A T S S+ 0 0 40 -2,-0.1 2,-0.5 48,-0.0 -1,-0.2 -0.614 76.3 139.8-140.6 78.2 -7.6 -2.5 -39.2 61 58 A D > - 0 0 83 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.887 25.8-176.3-135.8 88.8 -9.9 -4.0 -41.6 62 59 A R H > S+ 0 0 72 -2,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.919 85.5 47.1 -51.2 -49.1 -13.0 -5.6 -40.1 63 60 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 112.3 49.5 -67.8 -36.5 -14.4 -7.0 -43.4 64 61 A A H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.961 113.7 46.4 -69.7 -36.0 -11.1 -8.5 -44.5 65 62 A W H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.902 107.8 55.7 -69.7 -39.6 -10.6 -10.2 -41.1 66 63 A A H X S+ 0 0 16 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.937 110.2 46.5 -56.0 -42.2 -14.2 -11.5 -41.1 67 64 A A H X S+ 0 0 67 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.936 114.5 47.3 -68.1 -37.9 -13.5 -13.2 -44.5 68 65 A Q H X S+ 0 0 85 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.944 113.6 47.1 -67.5 -38.3 -10.1 -14.6 -43.2 69 66 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -1,-0.2 0.869 106.7 57.4 -68.6 -40.3 -11.6 -15.8 -40.0 70 67 A A H X S+ 0 0 40 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.937 107.4 49.4 -59.1 -36.9 -14.6 -17.4 -41.8 71 68 A Q H X S+ 0 0 102 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.933 110.9 48.9 -67.9 -45.3 -12.1 -19.5 -43.9 72 69 A L H X S+ 0 0 39 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.889 111.5 49.6 -57.5 -39.3 -10.2 -20.6 -40.9 73 70 A R H X S+ 0 0 78 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.839 110.4 50.1 -69.6 -28.7 -13.4 -21.6 -39.1 74 71 A E H < S+ 0 0 146 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 115.4 43.9 -74.9 -46.0 -14.6 -23.6 -42.2 75 72 A D H < S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.780 125.3 30.5 -73.7 -29.5 -11.2 -25.4 -42.4 76 73 A E H < S- 0 0 88 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.736 92.8-143.6-104.1 -18.5 -10.8 -26.1 -38.7 77 74 A G < - 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