==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-APR-10 3MJS . 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) . 36189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 72.6 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 . 47 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 . 70 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 31.7 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 2 0 1 1 4 3 5 2 4 0 2 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 1 1 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 0 118 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -22.2 -20.2 6.4 7.4 2 -1 A H T 4 + 0 0 85 2,-0.2 4,-0.4 1,-0.2 428,-0.0 0.921 360.0 39.0 -64.2 -43.4 -22.6 7.7 4.8 3 0 A M T >> S+ 0 0 52 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.893 111.7 56.9 -73.5 -39.5 -19.6 8.8 2.8 4 1 A D G >4 S+ 0 0 30 1,-0.2 3,-1.6 2,-0.2 203,-0.3 0.862 99.3 62.3 -55.3 -36.6 -17.6 5.6 3.6 5 2 A A G 3< S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.694 97.3 57.4 -69.6 -15.1 -20.5 3.6 2.2 6 3 A L G <4 S+ 0 0 7 -3,-1.4 439,-2.6 -4,-0.4 2,-0.5 0.634 91.2 90.2 -84.6 -16.5 -19.9 5.2 -1.3 7 4 A R E << +A 444 0A 2 -3,-1.6 200,-2.6 -4,-0.5 2,-0.3 -0.715 46.3 162.4-100.0 129.5 -16.2 4.0 -1.5 8 5 A Y E -AB 443 206A 9 435,-2.6 435,-2.4 -2,-0.5 2,-0.4 -0.916 15.2-159.3-128.8 156.4 -15.1 0.7 -3.0 9 6 A H E - B 0 205A 58 196,-2.7 196,-2.5 -2,-0.3 2,-0.4 -0.982 21.1-113.4-138.0 161.4 -11.9 -0.6 -4.1 10 7 A I E + B 0 204A 50 -2,-0.4 2,-0.3 194,-0.2 194,-0.2 -0.721 37.5 175.1 -83.2 132.0 -10.5 -3.3 -6.4 11 8 A E E - B 0 203A 68 192,-2.6 192,-2.9 -2,-0.4 2,-0.4 -0.858 24.5-132.1-130.7 166.9 -8.5 -6.1 -4.7 12 9 A W E - B 0 202A 39 -2,-0.3 2,-0.4 190,-0.2 190,-0.2 -0.983 21.5-169.2-124.5 125.9 -7.0 -9.2 -6.0 13 10 A N E - B 0 201A 50 188,-2.6 188,-2.6 -2,-0.4 2,-0.1 -0.901 27.6-106.2-117.8 150.4 -7.5 -12.5 -4.3 14 11 A R E - B 0 200A 117 -2,-0.4 186,-0.3 186,-0.2 2,-0.2 -0.368 38.4-170.3 -73.3 139.6 -5.8 -15.9 -4.8 15 12 A V - 0 0 8 184,-2.6 184,-0.4 1,-0.1 675,-0.1 -0.633 33.6 -63.0-119.7-179.7 -7.9 -18.5 -6.6 16 13 A A - 0 0 25 673,-0.3 675,-0.1 -2,-0.2 -1,-0.1 -0.322 50.0-106.9 -66.7 146.0 -7.4 -22.2 -7.2 17 14 A E - 0 0 90 673,-0.4 -1,-0.1 1,-0.1 161,-0.0 -0.508 44.8-122.8 -59.4 133.4 -4.6 -23.6 -9.2 18 15 A P - 0 0 26 0, 0.0 164,-0.1 0, 0.0 163,-0.1 -0.213 33.4 -77.3 -72.8 172.6 -6.1 -24.8 -12.5 19 16 A G - 0 0 54 162,-0.3 165,-0.1 166,-0.3 166,-0.1 -0.024 34.1-122.7 -58.7 171.8 -5.9 -28.3 -13.9 20 17 A T S S+ 0 0 151 161,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.507 79.2 90.2-101.0 -11.0 -2.8 -29.8 -15.6 21 18 A A S S- 0 0 69 160,-0.1 163,-0.2 1,-0.1 3,-0.1 -0.698 72.2-127.4 -95.6 139.9 -4.2 -30.7 -19.0 22 19 A R - 0 0 104 -2,-0.3 159,-0.1 1,-0.2 -1,-0.1 -0.329 49.8 -71.6 -71.7 165.2 -4.2 -28.4 -21.9 23 20 A P - 0 0 9 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.267 39.2-139.8 -56.7 143.9 -7.4 -27.8 -23.7 24 21 A A S S+ 0 0 112 160,-0.1 -2,-0.1 -3,-0.1 160,-0.0 0.939 82.2 60.2 -71.9 -43.4 -8.5 -30.8 -25.8 25 22 A G S S- 0 0 40 1,-0.1 2,-0.2 54,-0.0 54,-0.1 -0.193 101.5 -80.3 -78.5 174.8 -9.8 -28.8 -28.8 26 23 A R - 0 0 81 52,-0.4 54,-3.3 50,-0.1 55,-0.7 -0.469 38.3-140.0 -82.6 140.0 -7.7 -26.5 -31.0 27 24 A L E -c 81 0A 2 52,-0.2 26,-2.4 53,-0.2 2,-0.5 -0.713 3.9-145.7 -91.4 151.9 -6.8 -23.0 -29.9 28 25 A L E -cd 82 53A 0 53,-2.0 55,-3.2 -2,-0.3 2,-0.4 -0.982 15.4-160.0-114.6 115.0 -6.7 -20.0 -32.3 29 26 A A E -cd 83 54A 0 24,-3.3 26,-2.9 -2,-0.5 2,-0.6 -0.840 3.0-153.3 -95.8 135.6 -4.0 -17.5 -31.4 30 27 A V E -cd 84 55A 0 53,-2.6 55,-3.1 -2,-0.4 2,-0.3 -0.943 15.3-174.4-115.6 122.7 -4.3 -14.0 -32.8 31 28 A I E - d 0 56A 7 24,-2.5 26,-2.8 -2,-0.6 55,-0.1 -0.886 29.5-133.2-118.6 141.8 -1.1 -12.0 -33.2 32 29 A S > - 0 0 2 3,-0.4 3,-2.1 -2,-0.3 26,-0.1 -0.896 27.7-148.6 -90.3 111.0 -0.5 -8.3 -34.2 33 30 A P T 3 S+ 0 0 40 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.753 91.2 48.0 -66.3 -23.4 2.2 -9.1 -36.8 34 31 A D T 3 S+ 0 0 140 1,-0.2 3,-0.1 2,-0.1 24,-0.0 0.514 118.8 42.6 -84.0 -2.6 4.2 -5.8 -36.3 35 32 A H S < S+ 0 0 55 -3,-2.1 -3,-0.4 1,-0.1 -1,-0.2 -0.330 77.1 106.1-145.4 59.9 4.1 -6.3 -32.6 36 33 A A + 0 0 31 -3,-0.5 -1,-0.1 -5,-0.1 -2,-0.1 0.180 56.4 88.1-125.7 13.7 4.8 -10.0 -32.0 37 34 A G + 0 0 69 -3,-0.1 -1,-0.1 4,-0.1 -2,-0.0 0.472 52.6 113.9 -95.8 -12.4 8.4 -9.6 -30.7 38 35 A A S >> S- 0 0 33 1,-0.1 4,-1.9 -3,-0.1 3,-0.8 -0.375 73.7-120.5 -65.0 146.1 7.9 -9.1 -27.0 39 36 A P H 3> S+ 0 0 108 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.901 111.9 53.3 -54.4 -41.4 9.2 -11.8 -24.8 40 37 A W H 3> S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.843 103.6 56.8 -68.1 -27.3 5.9 -12.6 -23.3 41 38 A V H <> S+ 0 0 0 -3,-0.8 4,-2.9 2,-0.2 5,-0.2 0.946 110.6 45.8 -67.0 -41.3 4.3 -13.0 -26.7 42 39 A T H X S+ 0 0 88 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.922 111.2 51.3 -61.5 -41.2 6.9 -15.7 -27.5 43 40 A A H X S+ 0 0 25 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.894 112.0 46.3 -67.0 -40.3 6.4 -17.4 -24.3 44 41 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.951 111.9 49.9 -65.3 -47.8 2.7 -17.5 -24.7 45 42 A L H X S+ 0 0 18 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.939 112.5 49.1 -56.1 -39.7 2.9 -18.8 -28.3 46 43 A D H >< S+ 0 0 134 -4,-2.6 3,-0.9 -5,-0.2 -1,-0.2 0.946 109.5 51.2 -64.5 -38.3 5.3 -21.5 -27.1 47 44 A A H 3< S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.859 105.3 56.4 -70.7 -31.7 3.0 -22.5 -24.2 48 45 A L H 3< S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.721 108.2-134.8 -69.2 -24.7 0.0 -22.9 -26.6 49 46 A G X< - 0 0 13 -4,-1.0 3,-1.7 -3,-0.9 -1,-0.1 0.189 21.8 -74.9 89.1 160.2 2.0 -25.4 -28.7 50 47 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.657 121.4 66.5 -75.7 -9.6 2.6 -25.9 -32.3 51 48 A D T 3 S+ 0 0 109 -3,-0.2 -2,-0.1 2,-0.1 2,-0.1 0.591 76.6 107.0 -77.4 -13.9 -0.9 -27.3 -33.0 52 49 A T S < S- 0 0 10 -3,-1.7 2,-0.3 -7,-0.2 -24,-0.2 -0.418 75.0-125.8 -65.7 133.7 -2.4 -23.9 -32.2 53 50 A V E -d 28 0A 21 -26,-2.4 -24,-3.3 -2,-0.1 2,-0.5 -0.662 24.7-145.1 -80.2 144.6 -3.7 -22.2 -35.4 54 51 A R E -d 29 0A 128 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.922 14.8-170.9-119.6 133.5 -2.3 -18.7 -35.8 55 52 A F E -d 30 0A 12 -26,-2.9 -24,-2.5 -2,-0.5 2,-0.7 -0.983 13.1-150.2-120.7 123.6 -4.1 -15.7 -37.3 56 53 A E E -d 31 0A 111 -2,-0.5 2,-1.0 -26,-0.2 -24,-0.2 -0.833 11.4-147.9 -94.1 119.8 -2.1 -12.5 -38.0 57 54 A A - 0 0 0 -26,-2.8 2,-0.5 -2,-0.7 48,-0.0 -0.724 20.4-162.5 -90.9 100.8 -4.5 -9.6 -37.6 58 55 A K - 0 0 137 -2,-1.0 3,-0.4 -26,-0.1 2,-0.1 -0.751 47.1 -36.3 -96.5 129.1 -3.1 -7.1 -40.2 59 56 A G S S- 0 0 45 -2,-0.5 2,-0.1 1,-0.2 -2,-0.0 -0.398 94.7 -62.0 66.9-145.4 -4.1 -3.5 -40.0 60 57 A T S S+ 0 0 40 -2,-0.1 2,-0.5 48,-0.0 -1,-0.2 -0.620 76.1 139.7-141.6 79.7 -7.6 -2.7 -39.0 61 58 A D > - 0 0 83 -3,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.835 25.9-175.8-137.4 90.6 -10.0 -4.2 -41.5 62 59 A R H > S+ 0 0 74 -2,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.905 85.5 46.4 -51.2 -47.3 -13.1 -5.7 -40.0 63 60 A A H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 112.2 50.1 -71.8 -39.4 -14.5 -7.1 -43.3 64 61 A A H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.944 113.9 45.4 -61.5 -43.2 -11.2 -8.5 -44.4 65 62 A W H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.880 108.0 56.9 -67.9 -40.1 -10.7 -10.3 -41.0 66 63 A A H X S+ 0 0 16 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.929 110.1 46.1 -53.0 -42.7 -14.3 -11.6 -41.0 67 64 A A H X S+ 0 0 66 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.907 114.3 47.0 -65.7 -40.6 -13.6 -13.2 -44.3 68 65 A Q H X S+ 0 0 86 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.950 114.0 47.6 -71.4 -36.4 -10.3 -14.7 -43.1 69 66 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.882 107.6 55.0 -68.7 -40.5 -11.8 -16.0 -39.9 70 67 A A H X S+ 0 0 27 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.908 108.4 50.2 -60.5 -41.2 -14.7 -17.5 -41.7 71 68 A Q H X S+ 0 0 99 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.923 110.9 48.6 -61.9 -40.3 -12.2 -19.5 -43.8 72 69 A L H X S+ 0 0 42 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.925 111.9 48.6 -65.6 -43.1 -10.3 -20.7 -40.7 73 70 A R H X S+ 0 0 86 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.784 111.3 50.8 -69.6 -24.0 -13.5 -21.8 -39.0 74 71 A E H < S+ 0 0 121 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.928 115.7 40.1 -77.6 -57.0 -14.6 -23.6 -42.2 75 72 A D H < S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.859 128.0 32.1 -55.8 -40.7 -11.3 -25.5 -42.5 76 73 A E H < S- 0 0 74 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.682 92.7-142.4 -95.7 -23.0 -10.8 -26.2 -38.8 77 74 A G < - 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