==== 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 13-APR-10 3MJT . COMPND 2 MOLECULE: AMPHB; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES NODOSUS; . AUTHOR J.ZHENG,C.A.TAYLOR,S.K.PIASECKI,A.T.KEATINGE-CLAY . 951 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 686 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 13.7 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 . 73 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 298 31.3 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 3 1 0 2 4 4 3 2 3 3 0 2 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 86 0, 0.0 4,-1.6 0, 0.0 209,-0.0 0.000 360.0 360.0 360.0 145.2 -20.6 7.0 7.6 2 -1 A H H > + 0 0 156 2,-0.2 4,-0.7 1,-0.1 424,-0.0 0.898 360.0 53.1 -66.8 -38.5 -22.6 7.5 4.5 3 0 A M H >> S+ 0 0 59 1,-0.2 3,-1.7 2,-0.2 4,-0.6 0.964 106.2 51.7 -64.9 -47.6 -19.4 8.8 2.7 4 1 A D H >4 S+ 0 0 34 1,-0.2 3,-1.7 2,-0.2 203,-0.3 0.890 103.7 61.0 -46.6 -45.7 -17.5 5.6 3.7 5 2 A A H 3< S+ 0 0 56 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.683 98.6 56.3 -65.2 -16.1 -20.4 3.6 2.2 6 3 A L H << S+ 0 0 8 -3,-1.7 439,-2.8 -4,-0.7 2,-0.4 0.615 90.1 90.9 -82.2 -19.8 -19.8 5.2 -1.2 7 4 A R E << +A 444 0A 0 -3,-1.7 200,-2.6 -4,-0.6 2,-0.3 -0.698 47.1 164.0 -94.9 129.5 -16.1 4.1 -1.4 8 5 A Y E -AB 443 206A 8 435,-2.6 435,-2.4 -2,-0.4 2,-0.3 -0.907 15.1-159.7-131.1 154.3 -15.1 0.7 -3.0 9 6 A H E - B 0 205A 54 196,-2.6 196,-2.3 -2,-0.3 2,-0.3 -0.995 21.6-115.2-136.6 155.4 -11.8 -0.5 -4.2 10 7 A I E + B 0 204A 50 -2,-0.3 2,-0.3 194,-0.2 194,-0.2 -0.636 36.7 179.6 -84.1 139.2 -10.5 -3.3 -6.5 11 8 A E E - B 0 203A 64 192,-2.6 192,-2.8 -2,-0.3 2,-0.5 -0.892 22.6-133.7-133.9 160.5 -8.5 -6.1 -4.8 12 9 A W E - B 0 202A 36 -2,-0.3 2,-0.4 190,-0.2 190,-0.2 -0.986 24.1-171.0-124.1 124.2 -6.9 -9.2 -6.2 13 10 A N E - B 0 201A 52 188,-2.7 188,-2.7 -2,-0.5 2,-0.1 -0.880 29.1-101.1-122.0 152.9 -7.4 -12.4 -4.4 14 11 A R E - B 0 200A 112 -2,-0.4 186,-0.2 186,-0.2 2,-0.2 -0.368 40.2-171.2 -70.0 138.1 -5.8 -15.8 -4.8 15 12 A V - 0 0 10 184,-2.5 184,-0.4 1,-0.1 675,-0.1 -0.682 34.9 -62.9-119.0-176.1 -7.9 -18.4 -6.7 16 13 A A - 0 0 25 673,-0.3 675,-0.2 -2,-0.2 -1,-0.1 -0.247 50.8-107.2 -69.3 144.2 -7.5 -22.2 -7.4 17 14 A E - 0 0 94 673,-0.3 -1,-0.1 1,-0.1 3,-0.1 -0.540 44.5-121.0 -62.1 136.2 -4.6 -23.6 -9.3 18 15 A P - 0 0 24 0, 0.0 164,-0.1 0, 0.0 163,-0.1 -0.263 33.1 -82.2 -77.2 170.0 -6.0 -24.7 -12.6 19 16 A G - 0 0 54 162,-0.4 165,-0.1 166,-0.3 166,-0.1 0.044 32.8-121.8 -61.5 177.5 -5.8 -28.3 -13.9 20 17 A T S S+ 0 0 147 161,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.462 79.6 92.6-107.8 -2.0 -2.7 -29.7 -15.7 21 18 A A S S- 0 0 68 160,-0.1 163,-0.2 1,-0.1 3,-0.1 -0.721 71.4-128.3-100.5 136.4 -4.2 -30.6 -19.1 22 19 A R - 0 0 112 -2,-0.3 159,-0.1 1,-0.2 -2,-0.1 -0.374 49.4 -70.9 -75.6 167.2 -4.1 -28.3 -22.0 23 20 A P - 0 0 4 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.208 39.9-138.8 -58.2 144.5 -7.4 -27.6 -23.8 24 21 A A S S+ 0 0 107 160,-0.1 -2,-0.1 -3,-0.1 160,-0.0 0.941 81.5 56.4 -71.5 -43.6 -8.6 -30.6 -25.9 25 22 A G S S- 0 0 35 1,-0.1 2,-0.2 54,-0.0 54,-0.1 -0.105 101.7 -76.4 -80.5-177.2 -9.7 -28.7 -29.0 26 23 A R - 0 0 106 52,-0.4 54,-3.5 50,-0.1 55,-0.6 -0.609 39.6-142.8 -87.9 135.2 -7.7 -26.4 -31.2 27 24 A L E -c 81 0A 1 -2,-0.2 26,-2.7 52,-0.2 2,-0.6 -0.728 4.2-144.1 -89.0 150.8 -6.9 -22.8 -30.1 28 25 A L E -cd 82 53A 0 53,-2.2 55,-3.1 -2,-0.3 2,-0.5 -0.965 15.8-161.0-108.8 114.1 -6.8 -19.9 -32.5 29 26 A A E -cd 83 54A 0 24,-3.2 26,-3.0 -2,-0.6 2,-0.5 -0.839 3.6-152.9 -99.8 137.5 -4.1 -17.5 -31.5 30 27 A V E -cd 84 55A 0 53,-2.5 55,-3.3 -2,-0.5 2,-0.4 -0.934 14.8-173.9-111.9 124.5 -4.4 -13.9 -32.9 31 28 A I E - d 0 56A 6 24,-3.0 26,-2.9 -2,-0.5 55,-0.1 -0.896 28.5-131.7-118.2 143.9 -1.1 -12.0 -33.4 32 29 A S > - 0 0 1 3,-0.4 3,-2.0 -2,-0.4 26,-0.1 -0.883 27.7-146.3 -91.0 118.2 -0.5 -8.3 -34.4 33 30 A P T 3 S+ 0 0 39 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.790 92.6 46.7 -73.6 -22.1 2.1 -9.0 -37.0 34 31 A D T 3 S+ 0 0 137 1,-0.2 3,-0.1 2,-0.1 24,-0.0 0.415 118.4 43.6 -85.7 1.8 4.2 -5.8 -36.4 35 32 A H S < S+ 0 0 55 -3,-2.0 -3,-0.4 1,-0.1 -1,-0.2 -0.349 77.4 109.7-147.3 52.0 4.1 -6.3 -32.7 36 33 A A + 0 0 34 -3,-0.5 -1,-0.1 -5,-0.1 -2,-0.1 0.217 58.2 78.6-117.6 14.0 4.8 -10.0 -32.3 37 34 A G + 0 0 65 4,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.392 53.2 119.2-114.5 1.3 8.3 -9.9 -30.8 38 35 A A S >> S- 0 0 33 -3,-0.1 4,-2.1 1,-0.1 3,-0.9 -0.401 72.7-118.1 -68.7 143.7 7.9 -9.0 -27.1 39 36 A P H 3> S+ 0 0 106 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.910 114.4 53.8 -50.2 -43.5 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,-0.1 0.864 106.1 53.0 -63.0 -28.9 5.9 -12.4 -23.4 41 38 A V H <> S+ 0 0 0 -3,-0.9 4,-2.9 2,-0.2 5,-0.2 0.950 110.5 46.1 -70.7 -49.0 4.3 -12.9 -26.8 42 39 A T H X S+ 0 0 76 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.899 111.7 52.7 -57.4 -37.1 6.9 -15.5 -27.8 43 40 A A H X S+ 0 0 27 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.901 110.3 47.3 -68.2 -39.2 6.4 -17.2 -24.5 44 41 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.963 111.1 50.1 -65.3 -48.8 2.7 -17.5 -24.9 45 42 A L H X S+ 0 0 18 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.911 111.7 49.3 -52.5 -45.0 2.9 -18.8 -28.5 46 43 A D H >< S+ 0 0 134 -4,-2.4 3,-0.8 -5,-0.2 -1,-0.2 0.916 110.2 52.1 -62.2 -41.4 5.4 -21.4 -27.3 47 44 A A H 3< S+ 0 0 28 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 102.6 56.6 -63.1 -31.9 3.0 -22.3 -24.4 48 45 A L H 3< S- 0 0 2 -4,-2.2 -1,-0.2 1,-0.1 3,-0.2 0.677 109.2-132.8 -77.7 -15.8 -0.1 -22.8 -26.7 49 46 A G X< - 0 0 19 -3,-0.8 3,-1.3 -4,-0.8 -1,-0.1 0.159 23.5 -75.7 84.1 159.8 2.0 -25.4 -28.7 50 47 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.601 120.5 68.7 -80.8 -0.3 2.5 -25.8 -32.4 51 48 A D T 3 S+ 0 0 107 -3,-0.2 -2,-0.1 2,-0.1 2,-0.1 0.591 76.7 109.0 -85.5 -10.1 -0.9 -27.3 -33.2 52 49 A T S < S- 0 0 10 -3,-1.3 2,-0.3 -4,-0.2 -24,-0.2 -0.409 74.8-124.4 -60.1 133.6 -2.4 -23.9 -32.4 53 50 A V E -d 28 0A 18 -26,-2.7 -24,-3.2 -2,-0.1 2,-0.5 -0.699 24.7-144.9 -83.0 138.0 -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 -0.903 14.1-170.5-111.0 136.5 -2.2 -18.6 -35.9 55 52 A F E -d 30 0A 11 -26,-3.0 -24,-3.0 -2,-0.5 2,-0.8 -0.969 12.5-150.7-122.4 116.9 -4.0 -15.7 -37.3 56 53 A E E -d 31 0A 124 -2,-0.5 2,-1.1 -26,-0.2 -24,-0.2 -0.827 11.3-149.2 -87.6 114.4 -2.1 -12.5 -38.2 57 54 A A - 0 0 0 -26,-2.9 2,-0.4 -2,-0.8 52,-0.1 -0.721 19.5-163.5 -86.4 96.3 -4.4 -9.5 -37.7 58 55 A K - 0 0 154 -2,-1.1 3,-0.5 -26,-0.1 7,-0.1 -0.678 47.7 -35.5 -94.8 127.6 -3.1 -7.1 -40.3 59 56 A G S S- 0 0 36 -2,-0.4 2,-0.1 1,-0.2 -2,-0.0 -0.327 94.5 -64.6 64.1-141.3 -4.0 -3.4 -40.2 60 57 A T S S+ 0 0 39 48,-0.0 2,-0.6 -2,-0.0 -1,-0.2 -0.616 75.7 142.2-142.4 76.4 -7.6 -2.6 -39.0 61 58 A D > - 0 0 84 -3,-0.5 4,-2.7 1,-0.2 5,-0.2 -0.839 26.0-174.4-133.4 93.6 -9.9 -4.1 -41.6 62 59 A R H > S+ 0 0 74 -2,-0.6 4,-3.0 1,-0.2 -1,-0.2 0.892 85.1 45.8 -52.6 -51.6 -13.1 -5.6 -40.1 63 60 A A H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.885 112.2 50.2 -65.3 -39.6 -14.4 -7.1 -43.4 64 61 A A H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.948 114.3 45.2 -66.5 -44.1 -11.1 -8.5 -44.5 65 62 A W H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.875 106.7 57.6 -67.4 -37.6 -10.7 -10.2 -41.2 66 63 A A H X S+ 0 0 16 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.929 110.0 46.8 -55.5 -41.1 -14.2 -11.4 -41.1 67 64 A A H X S+ 0 0 66 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.935 113.1 47.6 -65.5 -43.2 -13.5 -13.2 -44.4 68 65 A Q H X S+ 0 0 91 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.927 113.4 47.9 -63.9 -40.0 -10.2 -14.6 -43.2 69 66 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.849 107.7 55.2 -68.2 -40.8 -11.7 -15.9 -40.0 70 67 A A H X S+ 0 0 28 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.900 108.5 49.5 -60.9 -40.6 -14.7 -17.5 -41.7 71 68 A Q H X S+ 0 0 98 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.904 109.6 50.1 -63.9 -43.2 -12.3 -19.5 -43.9 72 69 A L H X S+ 0 0 33 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.902 112.1 48.3 -61.8 -42.9 -10.2 -20.7 -40.9 73 70 A R H X S+ 0 0 80 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.794 109.3 53.1 -71.1 -27.2 -13.3 -21.8 -39.1 74 71 A E H < S+ 0 0 123 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.978 114.3 41.7 -64.5 -61.3 -14.5 -23.6 -42.2 75 72 A D H < S+ 0 0 101 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.791 127.6 30.4 -52.0 -40.4 -11.2 -25.5 -42.5 76 73 A E H < S- 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.2 0.724 93.2-142.4-102.2 -18.6 -10.9 -26.3 -38.8 77 74 A G < - 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