==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-APR-12 4EIS . COMPND 2 MOLECULE: POLYSACCHARIDE MONOOXYGENASE-3; . SOURCE 2 ORGANISM_SCIENTIFIC: NEUROSPORA CRASSA; . AUTHOR X.LI,W.T.BEESON,C.M.PHILLIPS,M.A.MARLETTA,J.H.CATE . 450 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 54.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 23.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 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 . 1 0.2 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 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 0 0 4 4 0 2 0 0 0 2 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 2 0 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 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 1 A X 0 0 78 0, 0.0 2,-0.3 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 122.2 -17.0 13.4 -21.8 2 2 A G - 0 0 5 37,-1.7 2,-0.3 76,-0.1 36,-0.1 -0.938 360.0-140.7 166.5-178.4 -14.2 14.7 -23.9 3 3 A F - 0 0 20 -2,-0.3 73,-2.2 71,-0.0 2,-0.6 -0.954 41.7 -77.5-156.9 166.6 -13.0 15.7 -27.3 4 4 A V E -A 75 0A 18 -2,-0.3 71,-0.3 71,-0.2 3,-0.1 -0.700 42.4-171.8 -72.5 121.0 -10.0 15.5 -29.6 5 5 A D E - 0 0 51 69,-2.7 11,-1.9 -2,-0.6 2,-0.3 0.836 58.5 -25.3 -86.0 -40.5 -7.7 18.2 -28.2 6 6 A N E -AB 74 15A 27 68,-1.2 68,-2.6 9,-0.3 2,-0.3 -0.958 56.8-150.4-163.5 174.7 -5.0 18.1 -30.9 7 7 A A E -AB 73 14A 0 7,-2.3 7,-2.6 -2,-0.3 2,-0.5 -0.962 19.0-129.7-148.8 166.6 -3.3 16.0 -33.6 8 8 A T E +AB 72 13A 35 64,-2.0 64,-1.9 -2,-0.3 2,-0.4 -0.978 36.7 170.6-122.8 110.3 -0.1 15.4 -35.5 9 9 A I E > - B 0 12A 0 3,-2.5 3,-2.3 -2,-0.5 55,-0.2 -0.985 67.5 -3.2-126.3 129.6 -0.9 15.3 -39.2 10 10 A G T 3 S- 0 0 40 -2,-0.4 -1,-0.1 60,-0.3 3,-0.1 0.802 131.4 -59.7 58.1 27.6 1.7 15.2 -42.0 11 11 A G T 3 S+ 0 0 67 59,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.433 115.8 113.1 83.5 -0.2 4.2 15.5 -39.3 12 12 A Q E < -B 9 0A 125 -3,-2.3 -3,-2.5 52,-0.2 2,-0.3 -0.822 65.8-120.3-112.3 146.1 2.8 18.8 -38.0 13 13 A F E -B 8 0A 122 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.646 28.5-177.2 -83.6 134.1 1.1 19.7 -34.8 14 14 A Y E -B 7 0A 56 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.5 -0.981 20.6-143.9-130.7 127.1 -2.4 21.1 -34.8 15 15 A Q E -B 6 0A 74 -2,-0.4 17,-0.4 -9,-0.2 -9,-0.3 -0.739 29.6-134.6 -81.4 126.9 -4.5 22.3 -31.9 16 16 A F - 0 0 9 -11,-1.9 159,-0.1 -2,-0.5 -1,-0.1 -0.200 40.8 -62.5 -75.0 166.7 -8.1 21.3 -32.6 17 17 A Y - 0 0 27 17,-0.1 -1,-0.2 1,-0.1 17,-0.1 -0.270 53.5-144.3 -43.6 132.4 -11.1 23.6 -32.1 18 18 A Q >> - 0 0 15 1,-0.1 4,-2.6 -3,-0.1 3,-1.7 -0.900 15.1-170.5-113.9 101.3 -11.3 24.4 -28.4 19 19 A P T 34 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.694 89.3 48.2 -68.8 -17.7 -14.9 24.7 -27.1 20 20 A Y T 34 S+ 0 0 54 2,-0.1 18,-0.0 3,-0.1 -2,-0.0 0.089 127.1 23.3-107.3 20.9 -13.7 26.1 -23.7 21 21 A Q T X4 S+ 0 0 86 -3,-1.7 3,-1.0 207,-0.0 4,-0.5 0.439 111.3 59.5-139.7 -51.7 -11.4 28.7 -25.2 22 22 A D G >< S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.3 -2,-0.1 0.849 96.2 58.4 -65.0 -42.4 -12.3 29.7 -28.8 23 23 A P G 3 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.717 103.1 54.7 -62.3 -18.9 -15.8 31.0 -28.4 24 24 A X G < S+ 0 0 52 -3,-1.0 283,-0.3 3,-0.1 -2,-0.2 0.586 85.2 98.2 -94.8 -11.0 -14.8 33.7 -25.9 25 25 A M S < S- 0 0 87 -3,-1.2 -4,-0.0 -4,-0.5 279,-0.0 -0.426 79.8-125.7 -72.8 149.3 -12.1 35.3 -28.0 26 26 A G S S+ 0 0 64 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.0 0.888 108.9 23.5 -57.3 -39.7 -13.0 38.4 -30.0 27 27 A S S S- 0 0 98 -3,-0.0 -1,-0.3 -5,-0.0 -3,-0.1 -0.892 90.2-139.2-129.6 98.6 -11.8 36.7 -33.1 28 28 A P - 0 0 67 0, 0.0 3,-0.1 0, 0.0 -6,-0.1 -0.309 32.2-104.2 -58.7 139.9 -11.9 32.8 -32.7 29 29 A P - 0 0 44 0, 0.0 2,-0.1 0, 0.0 -7,-0.0 -0.329 32.3-102.8 -69.7 145.6 -8.7 31.2 -34.3 30 30 A D - 0 0 103 30,-0.1 2,-0.3 29,-0.1 29,-0.1 -0.411 48.7-174.2 -59.3 139.6 -8.7 29.5 -37.6 31 31 A R - 0 0 31 2,-0.1 30,-2.4 -2,-0.1 29,-0.3 -0.896 38.7-137.7-134.7 161.1 -8.7 25.7 -37.1 32 32 A I S S+ 0 0 2 -17,-0.4 144,-2.3 -2,-0.3 2,-0.3 0.494 89.9 68.6 -89.6 -9.7 -8.5 22.5 -39.1 33 33 A S B S-D 175 0B 8 142,-0.2 142,-0.3 -18,-0.2 27,-0.2 -0.836 87.4-106.7-115.6 156.0 -11.3 20.9 -37.0 34 34 A R - 0 0 4 140,-2.7 140,-0.2 -2,-0.3 25,-0.1 -0.471 40.2 -88.2 -89.7 147.0 -14.9 21.8 -36.8 35 35 A K - 0 0 81 22,-0.5 22,-0.3 23,-0.2 -1,-0.1 -0.093 42.7-175.0 -47.8 136.8 -16.8 23.6 -34.0 36 36 A I - 0 0 14 20,-0.1 3,-0.1 137,-0.1 17,-0.1 -0.929 29.7-126.0-131.7 158.8 -18.2 21.4 -31.2 37 37 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 18,-0.0 0.723 68.7 -69.3 -76.3 -18.9 -20.3 22.6 -28.2 38 38 A G S S- 0 0 5 2,-0.2 -36,-0.1 -36,-0.1 -18,-0.0 -0.960 72.1 -50.2 150.0-163.3 -18.2 21.2 -25.4 39 39 A N S S+ 0 0 13 -2,-0.3 -37,-1.7 -3,-0.1 0, 0.0 0.330 92.3 113.0 -96.6 6.7 -17.3 17.7 -24.1 40 40 A G - 0 0 19 -39,-0.2 -2,-0.2 1,-0.1 2,-0.1 -0.317 65.0 -98.2 -84.4 163.8 -20.8 16.3 -23.9 41 41 A P - 0 0 36 0, 0.0 2,-0.4 0, 0.0 130,-0.2 -0.354 14.0-135.3 -82.5 157.2 -22.4 13.4 -25.8 42 42 A V B +E 170 0B 10 128,-2.8 128,-3.0 1,-0.1 3,-0.1 -0.891 23.7 176.4 -98.1 135.2 -24.7 13.3 -28.8 43 43 A E + 0 0 76 -2,-0.4 2,-0.6 126,-0.2 124,-0.3 0.338 51.3 86.8-123.8 5.0 -27.5 10.8 -28.1 44 44 A D > - 0 0 68 1,-0.1 3,-1.6 122,-0.1 6,-0.3 -0.892 48.8-172.2-115.3 104.2 -29.7 11.1 -31.2 45 45 A V T 3 S+ 0 0 5 -2,-0.6 151,-0.6 1,-0.3 153,-0.3 0.602 87.9 59.1 -69.8 -11.5 -28.7 8.9 -34.2 46 46 A T T 3 S+ 0 0 104 149,-0.1 2,-0.3 148,-0.1 -1,-0.3 0.434 90.5 93.3 -94.2 -0.8 -31.3 10.7 -36.4 47 47 A S S X S- 0 0 38 -3,-1.6 3,-2.0 1,-0.1 4,-0.2 -0.670 79.7-129.3 -95.1 144.9 -29.8 14.1 -35.8 48 48 A L T >> S+ 0 0 85 -2,-0.3 3,-1.8 1,-0.3 4,-0.8 0.726 104.6 78.6 -57.4 -19.9 -27.2 15.9 -38.0 49 49 A A H 3> S+ 0 0 14 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.769 79.8 67.9 -62.0 -21.9 -25.3 16.3 -34.7 50 50 A I H <4 S+ 0 0 1 -3,-2.0 -1,-0.3 -6,-0.3 -2,-0.2 0.729 94.7 59.8 -70.2 -17.5 -24.2 12.7 -35.1 51 51 A Q H <4 S- 0 0 3 -3,-1.8 122,-0.2 -4,-0.2 -2,-0.2 0.995 134.8 -13.4 -73.1 -66.5 -22.1 13.8 -38.1 52 52 A a H < S- 0 0 4 -4,-0.8 122,-0.4 1,-0.5 5,-0.2 0.003 111.2 -86.8-130.3 24.8 -19.7 16.4 -36.7 53 53 A N S >< S- 0 0 12 -4,-1.7 3,-0.9 -5,-0.2 -1,-0.5 -0.059 70.3 -35.9 82.9 172.6 -21.3 17.1 -33.3 54 54 A A T 3 S- 0 0 28 1,-0.2 -5,-0.0 -3,-0.1 -12,-0.0 -0.313 120.6 -3.9 -73.0 139.3 -24.0 19.6 -32.4 55 55 A D T 3 S+ 0 0 138 1,-0.1 -1,-0.2 -19,-0.1 -20,-0.0 0.841 92.3 166.6 51.4 42.3 -24.3 23.0 -34.1 56 56 A S < - 0 0 40 -3,-0.9 -20,-0.1 -22,-0.1 -1,-0.1 -0.159 18.9-167.3 -80.5 175.6 -21.1 22.4 -36.0 57 57 A A - 0 0 39 -22,-0.3 -22,-0.5 -5,-0.2 43,-0.1 -0.973 33.7 -79.2-157.5 156.7 -19.7 24.4 -38.9 58 58 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.260 46.7-121.8 -59.8 153.5 -17.0 24.0 -41.5 59 59 A A - 0 0 6 -27,-0.2 -27,-0.1 39,-0.2 -25,-0.1 -0.709 9.6-131.9 -96.9 153.7 -13.4 24.7 -40.5 60 60 A K S S+ 0 0 154 -29,-0.3 2,-0.2 -2,-0.3 -28,-0.2 0.767 81.3 50.4 -79.1 -25.9 -11.3 27.4 -42.2 61 61 A L - 0 0 71 -30,-2.4 2,-0.3 -28,-0.1 115,-0.2 -0.705 60.8-149.4-117.7 160.7 -8.2 25.3 -42.7 62 62 A H - 0 0 41 -2,-0.2 2,-0.5 113,-0.1 115,-0.3 -0.946 17.4-133.2-120.4 150.2 -7.0 21.9 -44.0 63 63 A A E -f 177 0B 0 113,-2.6 115,-2.4 -2,-0.3 2,-0.2 -0.918 23.1-132.1-101.8 123.3 -4.0 19.9 -42.8 64 64 A S E +f 178 0B 57 -2,-0.5 2,-0.3 113,-0.2 -52,-0.2 -0.520 37.2 157.2 -74.9 136.6 -1.8 18.5 -45.6 65 65 A A E -f 179 0B 3 113,-2.5 115,-2.4 -2,-0.2 2,-0.3 -0.974 40.0-111.1-157.7 147.1 -0.8 14.8 -45.4 66 66 A A E > -f 180 0B 47 -2,-0.3 3,-2.1 113,-0.2 75,-0.2 -0.575 40.6-104.9 -76.0 140.0 0.3 12.1 -47.8 67 67 A A T 3 S+ 0 0 20 113,-2.7 76,-0.2 -2,-0.3 115,-0.2 -0.381 111.3 31.1 -56.5 139.1 -2.0 9.2 -48.5 68 68 A G T 3 S+ 0 0 38 73,-2.0 -1,-0.2 1,-0.3 75,-0.2 0.174 94.6 123.0 93.2 -17.3 -0.7 6.2 -46.5 69 69 A S < - 0 0 33 -3,-2.1 72,-2.3 73,-0.1 2,-0.4 -0.311 62.7-110.9 -75.0 159.8 0.7 8.4 -43.7 70 70 A T E - C 0 140A 78 70,-0.2 2,-0.4 -3,-0.1 -60,-0.3 -0.750 23.4-159.0 -94.9 139.4 -0.2 8.0 -40.0 71 71 A V E - C 0 139A 0 68,-3.1 68,-2.0 -2,-0.4 2,-0.5 -0.942 5.7-150.4-112.2 137.9 -2.2 10.6 -38.0 72 72 A T E -AC 8 138A 25 -64,-1.9 -64,-2.0 -2,-0.4 2,-0.4 -0.932 9.5-168.3-105.0 129.6 -2.2 10.9 -34.2 73 73 A L E -AC 7 137A 0 64,-3.3 64,-2.8 -2,-0.5 2,-0.5 -0.942 6.3-156.0-111.6 140.5 -5.2 12.2 -32.4 74 74 A R E -AC 6 136A 67 -68,-2.6 -69,-2.7 -2,-0.4 -68,-1.2 -0.957 9.3-157.1-121.0 116.0 -5.0 13.1 -28.7 75 75 A W E -A 4 0A 16 60,-2.7 60,-0.4 -2,-0.5 -71,-0.2 -0.512 23.8-108.2 -83.1 153.4 -8.1 13.0 -26.6 76 76 A T S S- 0 0 27 -73,-2.2 -1,-0.1 -2,-0.2 2,-0.1 -0.226 72.4 -54.0 -61.9 169.5 -8.8 14.8 -23.4 77 77 A I - 0 0 39 169,-0.2 -1,-0.2 1,-0.1 54,-0.1 -0.280 61.2-140.6 -62.9 125.4 -8.8 12.5 -20.4 78 78 A W - 0 0 1 52,-1.3 -76,-0.1 -3,-0.1 -1,-0.1 -0.743 15.0-121.4 -94.6 121.3 -11.3 9.6 -21.0 79 79 A P > - 0 0 10 0, 0.0 3,-1.8 0, 0.0 172,-0.1 -0.308 16.7-130.4 -62.8 137.9 -13.4 8.5 -18.1 80 80 A D T 3 S+ 0 0 107 170,-0.4 3,-0.1 1,-0.3 51,-0.1 0.688 104.4 62.6 -68.3 -15.3 -13.0 4.7 -17.3 81 81 A S T 3 S+ 0 0 48 1,-0.2 2,-2.3 2,-0.0 -1,-0.3 0.778 82.2 87.2 -71.1 -25.7 -16.7 4.1 -17.2 82 82 A H < + 0 0 14 -3,-1.8 -1,-0.2 76,-0.1 2,-0.1 -0.304 58.1 165.3 -84.1 59.2 -17.0 5.1 -21.0 83 83 A V + 0 0 19 -2,-2.3 76,-3.2 -3,-0.1 77,-0.3 -0.415 20.7 105.9 -65.9 149.6 -16.3 1.7 -22.5 84 84 A G - 0 0 0 74,-0.2 43,-1.9 33,-0.2 44,-0.2 -0.901 65.2 -57.7 159.5 174.1 -17.1 1.4 -26.2 85 85 A P - 0 0 0 0, 0.0 72,-2.2 0, 0.0 2,-0.4 -0.288 35.1-143.3 -74.4 162.2 -15.8 1.3 -29.8 86 86 A V E -GH 116 156B 3 30,-1.6 30,-1.5 70,-0.2 2,-0.4 -0.998 24.6-178.4-128.5 129.7 -13.7 3.9 -31.5 87 87 A I E -GH 115 155B 0 68,-2.4 68,-2.4 -2,-0.4 2,-0.4 -0.994 14.2-162.6-139.8 139.4 -14.4 4.5 -35.2 88 88 A T E +GH 114 154B 0 26,-2.8 25,-2.5 -2,-0.4 26,-1.8 -0.982 11.6 176.0-128.5 131.7 -12.9 6.7 -37.9 89 89 A Y E -GH 112 153B 0 64,-3.0 64,-2.2 -2,-0.4 2,-0.3 -0.867 10.8-156.7-121.7 162.4 -14.5 7.7 -41.3 90 90 A M E -GH 111 152B 0 21,-2.7 21,-2.9 -2,-0.3 2,-0.3 -0.935 4.1-169.6-132.5 161.3 -13.5 9.9 -44.2 91 91 A A E - 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