==== 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 4EIR . COMPND 2 MOLECULE: POLYSACCHARIDE MONOOXYGENASE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: NEUROSPORA CRASSA; . AUTHOR X.LI,W.T.BEESON,C.M.PHILLIPS,M.A.MARLETTA,J.H.CATE . 446 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 26.7 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 . 2 0.4 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 . 5 1.1 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 . 41 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 8 3 2 0 2 4 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 20 0, 0.0 80,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 113.0 16.0 10.1 16.7 2 2 A T - 0 0 1 24,-1.3 2,-0.3 78,-0.1 65,-0.2 -0.959 360.0-139.2-168.9 162.6 17.5 9.4 20.1 3 3 A I E -A 66 0A 0 63,-2.5 63,-2.6 -2,-0.3 2,-1.1 -0.992 16.3-137.3-141.9 130.1 19.5 6.7 22.0 4 4 A F E +A 65 0A 0 -2,-0.3 61,-0.2 61,-0.2 3,-0.1 -0.789 42.8 164.3 -78.6 99.9 19.2 5.4 25.6 5 5 A S E + 0 0 4 59,-1.8 12,-3.1 -2,-1.1 2,-0.3 0.512 49.0 16.0-111.6 -7.0 23.0 5.4 25.9 6 6 A S E -A 64 0A 9 58,-0.8 58,-2.5 10,-0.2 2,-0.4 -0.971 61.6-134.7-160.5 159.3 23.7 5.2 29.7 7 7 A L E -A 63 0A 0 8,-0.3 7,-3.0 11,-0.3 2,-0.5 -0.962 11.1-148.6-120.7 137.1 22.0 4.2 33.0 8 8 A E E -AB 62 13A 38 54,-2.8 54,-2.5 -2,-0.4 2,-0.4 -0.906 17.4-179.0-105.8 132.0 22.2 6.1 36.3 9 9 A V E > -AB 61 12A 17 3,-2.6 3,-1.9 -2,-0.5 52,-0.1 -0.999 67.6 -10.7-133.7 126.9 21.9 4.1 39.5 10 10 A N T 3 S- 0 0 156 50,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.875 131.3 -50.8 52.2 42.6 22.0 5.6 43.0 11 11 A G T 3 S+ 0 0 61 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.544 118.1 109.2 76.7 9.3 23.0 8.9 41.7 12 12 A V E < -B 9 0A 84 -3,-1.9 -3,-2.6 3,-0.0 2,-0.3 -0.970 64.6-135.7-124.5 123.2 25.9 7.6 39.6 13 13 A N E -B 8 0A 71 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.613 12.6-148.1 -73.1 130.1 26.0 7.3 35.8 14 14 A Q - 0 0 42 -7,-3.0 -1,-0.1 -2,-0.3 -6,-0.1 0.506 50.7 -91.6 -84.0 -5.1 27.4 3.9 34.8 15 15 A G > - 0 0 22 -8,-0.2 3,-2.0 2,-0.1 -8,-0.3 -0.040 48.6 -56.7 111.7 152.6 29.1 5.1 31.7 16 16 A L T 3 S- 0 0 103 1,-0.3 -10,-0.2 -10,-0.1 3,-0.1 -0.434 123.1 -10.9 -65.7 119.6 28.5 5.6 27.9 17 17 A G T 3 S+ 0 0 18 -12,-3.1 2,-0.8 -2,-0.3 -1,-0.3 0.662 99.4 138.1 63.2 17.9 27.5 2.2 26.5 18 18 A E S < S- 0 0 92 -3,-2.0 -11,-0.3 -13,-0.3 -1,-0.2 -0.842 86.0 -11.9 -99.9 103.7 28.6 0.6 29.8 19 19 A G S S+ 0 0 0 -2,-0.8 154,-2.7 1,-0.2 2,-0.4 0.511 122.3 94.4 80.1 2.2 26.0 -2.1 30.6 20 20 A V B S-D 172 0B 1 152,-0.2 2,-1.0 -15,-0.2 152,-0.2 -0.999 76.5-132.9-123.9 129.1 23.7 -0.6 27.9 21 21 A R - 0 0 27 150,-2.7 150,-0.5 -2,-0.4 27,-0.1 -0.729 38.0-170.1 -83.4 102.6 23.8 -2.2 24.4 22 22 A V - 0 0 11 -2,-1.0 25,-2.6 -5,-0.2 2,-0.2 -0.792 21.6-145.9-107.8 139.3 24.0 0.9 22.2 23 23 A P B -K 46 0C 0 0, 0.0 23,-0.2 0, 0.0 46,-0.1 -0.538 13.8-141.6 -81.8 158.4 23.7 1.6 18.5 24 24 A T S S+ 0 0 74 21,-0.8 45,-0.5 -2,-0.2 2,-0.4 0.784 88.6 71.1 -84.6 -31.9 25.8 4.3 16.9 25 25 A Y S S- 0 0 3 20,-0.3 243,-0.1 1,-0.1 -23,-0.1 -0.677 71.3-154.0 -87.0 136.5 22.8 5.2 14.7 26 26 A N + 0 0 2 -2,-0.4 -24,-1.3 241,-0.3 -1,-0.1 0.245 50.4 126.4 -94.1 14.5 19.9 6.9 16.4 27 27 A G - 0 0 1 -26,-0.2 17,-0.1 1,-0.1 2,-0.1 -0.274 57.0-110.4 -75.2 156.7 17.2 5.8 13.9 28 28 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 140,-0.2 -0.323 12.6-121.2 -80.8 162.7 14.0 4.0 14.9 29 29 A I B +E 167 0B 6 138,-2.6 138,-2.6 1,-0.1 3,-0.1 -0.885 30.8 175.5 -89.9 133.9 12.7 0.6 14.5 30 30 A E + 0 0 17 -2,-0.5 2,-0.7 136,-0.2 134,-0.3 0.477 55.6 82.1-118.9 -7.6 9.4 0.9 12.6 31 31 A D > - 0 0 75 1,-0.1 3,-1.6 132,-0.1 6,-0.2 -0.871 56.2-168.7-103.6 103.8 8.6 -2.8 12.1 32 32 A V T 3 S+ 0 0 4 -2,-0.7 160,-0.5 1,-0.3 162,-0.3 0.637 86.2 59.6 -69.3 -12.7 6.9 -4.2 15.2 33 33 A T T 3 S+ 0 0 101 158,-0.1 -1,-0.3 157,-0.1 2,-0.2 0.532 84.6 104.0 -88.1 -8.3 7.3 -7.8 13.9 34 34 A S S X S- 0 0 31 -3,-1.6 3,-2.0 1,-0.1 4,-0.2 -0.470 78.8-127.6 -76.3 145.3 11.1 -7.5 13.6 35 35 A A T >> S+ 0 0 53 1,-0.3 3,-1.4 -2,-0.2 4,-0.6 0.770 108.2 72.7 -53.8 -28.5 13.4 -9.2 16.1 36 36 A S H 3> S+ 0 0 10 1,-0.2 4,-1.5 6,-0.2 -1,-0.3 0.659 76.8 76.1 -64.6 -15.8 14.9 -5.7 16.3 37 37 A I H <4 S+ 0 0 1 -3,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 0.752 89.8 59.3 -67.9 -22.5 11.9 -4.5 18.3 38 38 A A H <4 S- 0 0 0 -3,-1.4 -2,-0.2 -4,-0.2 -1,-0.2 0.993 134.3 -11.6 -70.1 -63.9 13.2 -6.3 21.4 39 39 A a H < S- 0 0 9 1,-0.6 132,-0.4 -4,-0.6 -2,-0.2 -0.068 105.6 -95.9-131.2 33.3 16.6 -4.7 22.0 40 40 A N < + 0 0 15 -4,-1.5 -1,-0.6 130,-0.1 2,-0.3 -0.100 62.4 141.9 68.3 179.8 17.2 -2.7 18.8 41 41 A G > + 0 0 14 -3,-0.1 3,-2.4 4,-0.1 4,-0.1 -0.977 27.2 55.6 146.8-159.6 19.2 -4.3 15.9 42 42 A S T 3 S+ 0 0 64 1,-0.4 -6,-0.2 -2,-0.3 3,-0.1 -0.135 106.2 29.8 -49.9 136.5 19.2 -4.5 12.1 43 43 A P T 3 S+ 0 0 23 0, 0.0 -1,-0.4 0, 0.0 207,-0.3 -0.981 128.4 55.0 -84.2 5.1 19.2 -2.2 10.1 44 44 A N S < S- 0 0 7 -3,-2.4 2,-0.4 205,-0.1 -18,-0.0 -0.352 84.4-126.9 -79.7 170.0 21.0 -0.6 13.0 45 45 A T - 0 0 80 -3,-0.1 -21,-0.8 -2,-0.1 2,-0.4 -0.995 20.9-156.9-123.7 127.3 24.2 -2.1 14.6 46 46 A V B -K 23 0C 52 -2,-0.4 2,-0.1 -23,-0.2 -25,-0.1 -0.884 9.8-134.2-112.1 130.5 24.2 -2.6 18.3 47 47 A A - 0 0 53 -25,-2.6 2,-0.2 -2,-0.4 -25,-0.1 -0.445 17.2-130.8 -78.4 150.4 27.4 -2.8 20.4 48 48 A S - 0 0 111 -2,-0.1 2,-0.3 -27,-0.1 -26,-0.1 -0.565 18.6-164.3 -92.9 167.4 27.9 -5.4 23.0 49 49 A T - 0 0 13 50,-0.2 -31,-0.1 -2,-0.2 -28,-0.1 -0.974 20.4-152.8-152.3 138.1 29.1 -4.8 26.6 50 50 A S + 0 0 115 -2,-0.3 2,-0.3 2,-0.0 49,-0.1 0.575 66.1 107.3 -87.6 -11.0 30.4 -7.1 29.3 51 51 A K - 0 0 63 -31,-0.1 2,-0.5 48,-0.1 122,-0.2 -0.541 48.6-168.4 -75.3 130.9 29.2 -4.9 32.1 52 52 A V - 0 0 42 -2,-0.3 2,-0.5 120,-0.1 122,-0.2 -0.990 19.0-138.1-117.3 124.6 26.3 -6.0 34.2 53 53 A I E -f 174 0B 2 120,-3.1 122,-2.6 -2,-0.5 2,-0.4 -0.721 9.3-137.3 -92.5 122.6 24.9 -3.2 36.5 54 54 A T E +f 175 0B 78 -2,-0.5 2,-0.4 120,-0.2 122,-0.2 -0.638 27.9 175.7 -78.5 131.0 23.9 -4.2 40.0 55 55 A V E -f 176 0B 2 120,-2.4 122,-2.6 -2,-0.4 2,-0.4 -0.999 30.0-121.0-138.8 138.4 20.7 -2.6 41.2 56 56 A Q E > -f 177 0B 111 -2,-0.4 3,-1.5 120,-0.2 82,-0.2 -0.628 35.1-113.8 -76.2 128.1 18.7 -3.0 44.4 57 57 A A T 3 S+ 0 0 16 120,-3.1 83,-0.3 -2,-0.4 3,-0.1 -0.314 100.9 33.2 -57.9 141.9 15.1 -4.2 44.0 58 58 A G T 3 S+ 0 0 33 80,-2.3 -1,-0.2 1,-0.4 2,-0.2 0.328 99.9 100.5 91.7 -5.5 12.6 -1.5 45.0 59 59 A T S < S- 0 0 61 -3,-1.5 79,-2.8 80,-0.1 2,-0.4 -0.667 72.1-111.1-107.8 163.3 14.7 1.4 43.9 60 60 A N E - C 0 137A 75 77,-0.3 -50,-0.5 -2,-0.2 2,-0.3 -0.766 20.8-162.1 -96.0 142.2 14.6 3.5 40.7 61 61 A V E -AC 9 136A 0 75,-2.8 75,-2.9 -2,-0.4 2,-0.5 -0.761 15.8-135.8-106.6 163.2 17.1 3.5 37.9 62 62 A T E -AC 8 135A 13 -54,-2.5 -54,-2.8 -2,-0.3 2,-0.3 -0.950 4.7-149.1-128.7 112.7 17.3 6.4 35.4 63 63 A A E -AC 7 134A 0 71,-2.6 71,-2.3 -2,-0.5 2,-0.6 -0.622 17.2-145.0 -72.0 135.2 17.7 5.8 31.7 64 64 A I E -AC 6 133A 6 -58,-2.5 -59,-1.8 -2,-0.3 -58,-0.8 -0.923 12.7-158.8-112.8 110.9 19.6 8.7 30.1 65 65 A W E +A 4 0A 0 67,-2.5 2,-0.3 -2,-0.6 -61,-0.2 -0.711 14.2 174.0 -94.8 136.6 18.5 9.6 26.6 66 66 A R E -A 3 0A 40 -63,-2.6 -63,-2.5 -2,-0.3 13,-0.3 -0.972 40.3-121.1-139.9 154.5 20.7 11.5 24.2 67 67 A Y S S- 0 0 73 11,-2.5 2,-0.3 -2,-0.3 12,-0.1 0.931 94.4 -6.7 -61.3 -48.3 20.5 12.5 20.5 68 68 A M S > S- 0 0 35 10,-0.3 3,-1.2 -66,-0.1 -1,-0.1 -0.896 73.8-102.6-139.5 169.3 23.7 10.7 19.6 69 69 A L T 3 S+ 0 0 40 -45,-0.5 -44,-0.1 -2,-0.3 -45,-0.0 0.794 122.1 53.8 -65.0 -26.7 26.6 8.8 21.3 70 70 A S T 3 S+ 0 0 91 -4,-0.0 -1,-0.2 2,-0.0 2,-0.2 0.561 80.1 119.9 -83.2 -9.3 28.7 11.9 20.8 71 71 A T < + 0 0 29 -3,-1.2 7,-0.0 1,-0.2 0, 0.0 -0.395 34.2 176.6 -66.3 125.2 26.2 14.3 22.5 72 72 A T + 0 0 144 -2,-0.2 -1,-0.2 -6,-0.0 6,-0.0 0.756 55.5 70.8 -96.4 -32.7 27.7 16.0 25.6 73 73 A G - 0 0 19 1,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.151 61.4-149.6 -83.7 176.9 24.8 18.3 26.6 74 74 A D + 0 0 56 -8,-0.1 57,-0.3 55,-0.0 58,-0.1 0.086 52.3 125.0-135.4 21.8 21.4 17.6 28.1 75 75 A S S > S- 0 0 53 56,-0.1 3,-1.4 55,-0.1 4,-0.4 -0.303 81.2 -92.9 -71.2 166.7 19.3 20.4 26.6 76 76 A P G >> S+ 0 0 52 0, 0.0 3,-1.9 0, 0.0 4,-1.7 0.892 128.8 51.8 -51.3 -44.4 16.1 19.5 24.7 77 77 A A G 34 S+ 0 0 76 1,-0.3 4,-0.1 2,-0.2 51,-0.0 0.742 105.1 58.6 -63.8 -23.5 17.9 19.4 21.4 78 78 A D G <4 S+ 0 0 47 -3,-1.4 -11,-2.5 50,-0.1 -1,-0.3 0.451 113.0 38.6 -82.4 -3.3 20.5 17.1 23.0 79 79 A V T <4 S- 0 0 0 -3,-1.9 2,-0.3 -4,-0.4 -76,-0.3 0.784 125.0 -41.1-110.0 -65.6 17.8 14.6 23.8 80 80 A M < - 0 0 0 -4,-1.7 -1,-0.3 48,-0.1 -78,-0.1 -0.952 65.5 -82.0-166.7 150.6 15.3 14.3 21.0 81 81 A D > - 0 0 95 -80,-0.3 3,-2.1 -2,-0.3 47,-0.1 -0.312 38.6-125.3 -60.9 139.3 13.4 16.6 18.6 82 82 A S T 3 S+ 0 0 64 1,-0.3 -1,-0.1 46,-0.1 47,-0.0 0.638 105.0 71.2 -68.2 -13.5 10.3 18.2 20.2 83 83 A S T 3 S+ 0 0 23 1,-0.2 2,-2.3 2,-0.0 -1,-0.3 0.759 75.5 91.7 -64.4 -24.6 8.1 17.0 17.4 84 84 A H < + 0 0 9 -3,-2.1 2,-0.3 71,-0.1 -1,-0.2 -0.371 57.8 169.5 -82.5 67.9 8.5 13.4 18.8 85 85 A K + 0 0 70 -2,-2.3 71,-3.0 39,-0.1 72,-0.2 -0.589 22.5 95.8 -80.4 135.1 5.5 13.3 21.1 86 86 A G - 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