==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-AUG-09 2WQ8 . COMPND 2 MOLECULE: GALACTOSE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIBBERELLA ZEAE; . AUTHOR J.G.RANNES,A.IOANNOU,S.C.WILLIES,C.BEHRENS,G.J.GROGAN,S.L.FL . 639 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 218 34.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 53 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 1 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 . 1 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 0 PARALLEL BRIDGES PER LADDER . 7 4 8 10 10 4 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 6 0 2 0 0 0 0 1 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 A 0 0 54 0, 0.0 520,-1.1 0, 0.0 514,-0.1 0.000 360.0 360.0 360.0 141.3 -31.3 21.0 -31.2 2 2 A S - 0 0 21 109,-0.3 520,-0.1 518,-0.1 518,-0.1 -0.410 360.0-144.1-118.3-165.8 -28.8 20.4 -28.5 3 3 A A - 0 0 34 518,-0.4 2,-0.3 -2,-0.1 110,-0.1 -0.967 17.8-113.7-156.1 162.6 -25.1 20.5 -27.9 4 4 A P - 0 0 39 0, 0.0 63,-0.1 0, 0.0 111,-0.1 -0.684 20.1-128.1 -92.8 153.0 -22.4 18.6 -25.9 5 5 A I S S+ 0 0 50 61,-0.4 62,-0.1 -2,-0.3 2,-0.1 0.704 86.5 38.1 -73.8 -14.6 -20.4 19.9 -23.0 6 6 A G S S- 0 0 24 142,-0.1 2,-0.4 60,-0.1 142,-0.2 -0.229 85.3 -86.2-120.9-166.6 -17.0 18.8 -24.7 7 7 A S E -A 147 0A 76 140,-2.2 140,-2.6 -2,-0.1 59,-0.1 -0.942 51.2 -97.9-115.3 148.4 -14.9 18.3 -27.9 8 8 A A E -A 146 0A 50 -2,-0.4 138,-0.2 138,-0.2 60,-0.0 -0.317 33.2-128.1 -66.4 132.5 -15.1 15.2 -30.0 9 9 A I - 0 0 6 136,-3.1 136,-0.3 1,-0.1 -1,-0.1 -0.692 31.3-107.2 -79.2 129.7 -12.4 12.6 -29.4 10 10 A P - 0 0 87 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.324 27.9-159.1 -61.5 141.9 -10.7 11.6 -32.6 11 11 A R > + 0 0 40 1,-0.1 3,-2.4 2,-0.1 -2,-0.0 0.462 55.4 112.6-109.3 -2.2 -11.8 8.0 -33.6 12 12 A N T 3 S+ 0 0 141 1,-0.3 -1,-0.1 20,-0.0 19,-0.0 0.780 88.4 33.3 -40.1 -43.0 -8.9 6.8 -35.9 13 13 A N T 3 S+ 0 0 118 -3,-0.2 -1,-0.3 46,-0.1 2,-0.1 0.259 89.6 127.4-103.5 16.9 -7.7 4.2 -33.5 14 14 A W < - 0 0 24 -3,-2.4 2,-0.5 17,-0.1 45,-0.2 -0.445 43.7-153.7 -76.9 143.9 -10.9 3.0 -31.8 15 15 A A E -B 58 0A 45 43,-2.2 43,-3.0 -2,-0.1 2,-0.3 -0.971 18.0-170.1-107.0 135.3 -12.0 -0.5 -31.5 16 16 A V E -B 57 0A 28 -2,-0.5 2,-0.3 41,-0.2 41,-0.2 -0.871 9.4-167.5-126.9 154.6 -15.8 -1.0 -31.2 17 17 A T E -B 56 0A 94 39,-1.9 39,-3.2 -2,-0.3 2,-0.3 -0.986 3.1-171.3-141.1 142.8 -18.0 -4.0 -30.4 18 18 A a E -B 55 0A 22 -2,-0.3 37,-0.2 37,-0.2 3,-0.1 -0.941 35.4-119.4-134.7 149.2 -21.7 -4.4 -30.8 19 19 A D S S- 0 0 80 35,-1.5 2,-0.3 -2,-0.3 36,-0.1 0.870 97.4 -10.2 -58.1 -36.8 -24.0 -7.3 -29.7 20 20 A S - 0 0 15 34,-0.2 2,-0.3 -3,-0.0 -1,-0.2 -0.973 62.5-167.2-154.8 157.2 -24.9 -7.8 -33.3 21 21 A A - 0 0 33 -2,-0.3 20,-0.3 20,-0.2 2,-0.2 -0.965 22.6-128.0-145.8 128.8 -24.5 -6.1 -36.7 22 22 A Q > - 0 0 23 18,-2.9 3,-2.6 3,-0.5 18,-0.2 -0.574 41.2-103.1 -69.2 147.1 -26.1 -6.7 -40.0 23 23 A S T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.446 116.8 31.7 -75.3 141.2 -23.6 -7.1 -42.7 24 24 A G T 3 S+ 0 0 47 -2,-0.1 -1,-0.3 -3,-0.0 14,-0.2 0.017 118.8 61.2 95.8 -30.0 -23.6 -3.8 -44.6 25 25 A N S < S+ 0 0 22 -3,-2.6 15,-2.0 15,-0.2 -3,-0.5 -0.340 81.1 173.9-124.0 47.9 -24.4 -2.2 -41.3 26 26 A E > - 0 0 65 13,-0.2 3,-2.6 -5,-0.2 4,-0.4 -0.172 46.9-105.2 -61.0 153.1 -21.3 -3.2 -39.4 27 27 A a G > S+ 0 0 18 1,-0.3 3,-1.4 2,-0.2 12,-0.2 0.819 119.4 55.0 -40.2 -47.6 -20.6 -2.0 -36.0 28 28 A N G > S+ 0 0 87 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.568 81.7 84.4 -76.5 -4.6 -17.9 0.4 -37.3 29 29 A K G X S+ 0 0 51 -3,-2.6 3,-0.7 1,-0.3 5,-0.3 0.722 83.8 65.4 -64.0 -17.1 -20.3 2.1 -39.7 30 30 A A G < S+ 0 0 0 -3,-1.4 113,-2.9 -4,-0.4 -1,-0.3 0.513 109.5 35.4 -81.3 -3.9 -21.2 4.2 -36.6 31 31 A I G < S+ 0 0 27 -3,-1.8 -1,-0.2 111,-0.2 -2,-0.2 0.086 85.8 96.9-136.1 29.4 -17.7 5.7 -36.5 32 32 A D S < S- 0 0 69 -3,-0.7 -2,-0.1 109,-0.3 3,-0.1 0.554 90.3-119.2 -92.7 -9.9 -16.7 6.0 -40.2 33 33 A G S S+ 0 0 48 1,-0.3 2,-0.6 108,-0.2 109,-0.1 0.541 76.6 122.5 90.5 5.0 -17.7 9.7 -40.3 34 34 A N > - 0 0 76 -5,-0.3 3,-1.3 107,-0.2 -1,-0.3 -0.900 50.4-159.3-104.4 120.3 -20.2 9.0 -43.0 35 35 A K T 3 S+ 0 0 125 -2,-0.6 39,-0.5 1,-0.3 -1,-0.1 0.618 89.0 60.9 -71.9 -11.2 -23.7 10.2 -42.0 36 36 A D T 3 S+ 0 0 128 37,-0.1 2,-0.4 38,-0.1 -1,-0.3 0.376 93.5 70.7-102.3 7.2 -25.3 7.9 -44.5 37 37 A T < - 0 0 31 -3,-1.3 2,-0.3 104,-0.2 -5,-0.1 -0.969 63.0-179.8-115.0 145.2 -23.9 4.7 -43.1 38 38 A F - 0 0 21 -2,-0.4 2,-0.3 -14,-0.2 103,-0.3 -0.976 31.2-117.9-137.5 147.6 -25.2 3.3 -39.9 39 39 A W E -K 140 0B 2 101,-2.2 101,-1.7 -2,-0.3 2,-0.3 -0.627 37.4-177.7 -66.5 148.0 -24.6 0.3 -37.6 40 40 A H E -K 139 0B 6 -15,-2.0 -18,-2.9 -2,-0.3 99,-0.2 -0.984 23.1-122.9-153.3 134.1 -27.8 -1.8 -37.3 41 41 A T - 0 0 0 97,-2.2 -20,-0.2 -2,-0.3 -19,-0.1 -0.174 54.6 -59.7 -71.2 171.2 -28.4 -4.9 -35.3 42 42 A F + 0 0 70 -21,-0.1 2,-0.3 4,-0.1 -1,-0.2 -0.225 65.7 149.4 -48.7 136.1 -29.6 -8.2 -36.9 43 43 A Y > + 0 0 89 5,-0.1 3,-1.8 -3,-0.1 5,-0.1 -0.870 45.7 24.1-146.4-170.6 -32.8 -8.3 -38.8 44 44 A G G > S+ 0 0 46 1,-0.3 3,-2.7 -2,-0.3 -2,-0.0 -0.303 128.4 6.6 59.9-133.5 -34.2 -10.3 -41.7 45 45 A A G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -2,-0.0 3,-0.1 0.741 131.1 60.0 -55.1 -23.7 -32.6 -13.7 -42.4 46 46 A N G < S- 0 0 81 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.415 113.3-116.7 -89.2 6.5 -30.6 -13.2 -39.2 47 47 A G < - 0 0 33 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.0 -0.109 26.5 -90.8 75.7 168.8 -33.7 -13.0 -37.1 48 48 A D - 0 0 72 -5,-0.1 -5,-0.1 -3,-0.1 -1,-0.1 -0.686 42.5-167.1-124.9 69.7 -34.7 -9.8 -35.1 49 49 A P - 0 0 53 0, 0.0 -8,-0.0 0, 0.0 -29,-0.0 -0.403 21.3-123.6 -68.1 142.3 -33.2 -10.1 -31.7 50 50 A K - 0 0 151 1,-0.1 87,-0.1 -2,-0.1 88,-0.0 -0.284 36.3 -57.3 -88.9 162.5 -34.6 -7.6 -29.3 51 51 A P S S+ 0 0 29 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.383 82.6 91.1 -65.9 163.4 -33.0 -4.9 -27.1 52 52 A P + 0 0 79 0, 0.0 2,-0.3 0, 0.0 77,-0.2 0.134 61.8 173.3 -75.1 137.4 -31.0 -4.3 -25.0 53 53 A H E - C 0 128A 0 75,-2.3 75,-3.7 -2,-0.2 2,-0.4 -0.859 14.8-149.8-110.8 161.8 -28.4 -3.8 -27.6 54 54 A T E - C 0 127A 34 -2,-0.3 -35,-1.5 73,-0.3 2,-0.5 -0.980 15.5-165.6-141.0 134.6 -25.0 -2.5 -26.8 55 55 A Y E -BC 18 126A 1 71,-2.8 71,-2.7 -2,-0.4 2,-0.4 -0.988 16.4-168.6-123.5 120.0 -22.3 -0.5 -28.4 56 56 A T E -BC 17 125A 16 -39,-3.2 -39,-1.9 -2,-0.5 2,-0.5 -0.919 3.2-164.9-115.3 130.4 -18.8 -0.7 -26.8 57 57 A I E -BC 16 124A 1 67,-3.3 67,-2.1 -2,-0.4 2,-0.6 -0.942 8.9-164.0-116.7 125.6 -15.9 1.6 -27.6 58 58 A D E -BC 15 123A 28 -43,-3.0 -43,-2.2 -2,-0.5 65,-0.2 -0.972 5.8-172.2-101.4 115.2 -12.3 1.0 -26.6 59 59 A M E - 0 0 7 63,-2.9 2,-1.3 -2,-0.6 64,-0.1 0.435 30.0-133.1 -91.2 0.7 -10.6 4.4 -27.1 60 60 A K E S+ 0 0 85 62,-0.3 2,-0.3 -45,-0.1 -1,-0.1 -0.069 80.3 46.4 76.7 -36.7 -7.1 2.9 -26.5 61 61 A T E S- 0 0 85 -2,-1.3 2,-0.4 61,-0.2 -2,-0.1 -0.912 96.6 -89.6-129.8 166.4 -6.1 5.6 -24.1 62 62 A T E - 0 0 83 -2,-0.3 2,-0.3 58,-0.1 60,-0.3 -0.566 45.0-175.3 -72.4 125.4 -7.6 7.4 -21.1 63 63 A Q E - C 0 121A 35 58,-3.0 58,-3.3 -2,-0.4 2,-1.5 -0.857 36.6-113.5-116.6 157.9 -9.7 10.5 -22.0 64 64 A N E - C 0 120A 45 -2,-0.3 84,-2.8 84,-0.3 2,-0.2 -0.651 48.2-159.2 -87.7 75.9 -11.4 13.0 -19.8 65 65 A V E +DC 147 119A 0 54,-1.6 54,-2.2 -2,-1.5 82,-0.3 -0.400 31.9 158.4 -69.6 129.9 -14.9 12.0 -21.0 66 66 A N E - 0 0 5 80,-2.6 50,-1.9 1,-0.3 -61,-0.4 0.268 61.2 -13.1-134.4 13.1 -17.9 14.3 -20.6 67 67 A G E -DC 146 115A 0 79,-0.8 79,-2.6 48,-0.2 -1,-0.3 -0.951 45.7-146.1 175.9 170.1 -20.5 13.2 -23.1 68 68 A L E -DC 145 114A 0 46,-1.6 46,-2.7 -2,-0.3 2,-0.3 -0.933 14.0-154.6-143.6 167.2 -21.4 11.2 -26.1 69 69 A S E -DC 144 113A 9 75,-1.8 75,-2.2 -2,-0.3 2,-0.5 -0.959 2.5-152.8-142.4 151.8 -23.8 11.9 -28.9 70 70 A V E -DC 143 112A 4 42,-2.4 42,-2.6 -2,-0.3 73,-0.2 -0.988 3.2-156.9-130.2 116.3 -25.7 9.6 -31.3 71 71 A L E -D 142 0A 15 71,-3.1 70,-2.8 -2,-0.5 71,-1.2 -0.874 23.8-137.9 -88.2 113.6 -26.8 10.7 -34.8 72 72 A P - 0 0 7 0, 0.0 68,-0.2 0, 0.0 37,-0.1 -0.143 39.6 -72.8 -61.3 166.2 -29.7 8.4 -35.8 73 73 A R - 0 0 19 6,-0.2 3,-0.2 1,-0.1 -37,-0.1 -0.342 41.4-154.2 -55.1 152.8 -29.9 7.0 -39.3 74 74 A Q + 0 0 81 -39,-0.5 -1,-0.1 1,-0.2 -38,-0.1 0.206 67.3 100.7-120.1 5.4 -30.8 9.9 -41.8 75 75 A D S S- 0 0 89 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.219 101.1-103.9 -80.1 17.5 -32.4 7.8 -44.5 76 76 A G S S+ 0 0 82 1,-0.3 2,-0.5 -3,-0.2 -2,-0.1 0.471 87.7 119.4 78.5 -3.8 -36.0 8.6 -43.4 77 77 A N - 0 0 60 1,-0.1 -1,-0.3 2,-0.1 -2,-0.2 -0.834 50.8-158.9 -98.7 135.8 -36.4 5.1 -41.8 78 78 A Q > + 0 0 80 -2,-0.5 3,-2.0 -3,-0.1 2,-0.2 0.521 45.6 129.8 -89.5 -6.0 -37.1 5.2 -38.0 79 79 A N T 3 S+ 0 0 41 1,-0.2 -6,-0.2 59,-0.1 59,-0.1 -0.272 74.0 12.9 -57.0 116.9 -36.1 1.7 -37.2 80 80 A G T 3 S+ 0 0 0 1,-0.3 59,-1.9 -2,-0.2 -1,-0.2 0.492 75.8 156.9 101.6 -2.3 -33.6 1.4 -34.4 81 81 A W < - 0 0 38 -3,-2.0 51,-2.9 57,-0.2 2,-0.5 -0.360 48.5-113.3 -45.2 137.1 -33.9 4.9 -32.9 82 82 A I B +L 131 0C 9 49,-0.3 23,-0.3 57,-0.2 49,-0.2 -0.710 42.0 167.7 -87.1 124.9 -32.8 4.6 -29.3 83 83 A G + 0 0 6 47,-2.6 22,-1.7 -2,-0.5 -1,-0.1 0.747 66.1 21.3 -93.7-100.5 -35.4 5.2 -26.5 84 84 A R E S+E 104 0A 80 20,-0.2 45,-1.4 47,-0.2 46,-1.4 -0.411 81.1 158.6 -69.8 144.7 -34.3 4.1 -22.9 85 85 A H E -EF 103 128A 1 18,-1.7 18,-1.7 43,-0.3 2,-0.3 -0.987 30.0-148.6-164.5 161.8 -30.5 3.9 -22.6 86 86 A E E -EF 102 127A 51 41,-1.7 41,-2.7 -2,-0.3 2,-0.4 -0.985 8.6-149.3-143.2 147.2 -27.6 3.9 -20.3 87 87 A V E -EF 101 126A 0 14,-2.4 13,-2.6 -2,-0.3 14,-1.2 -0.975 17.0-176.3-121.4 129.3 -24.0 5.2 -20.6 88 88 A Y E - 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