==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-SEP-08 2JKX . COMPND 2 MOLECULE: GALACTOSE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIBBERELLA ZEAE; . AUTHOR S.E.DEACON,K.MAHMOUD,R.K.SPOONER,S.J.FIRBANK,P.F.KNOWLES, . 639 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 61.5 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 . 217 34.0 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 . 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 . 57 8.9 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 . 7 1.1 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 . 8 4 7 10 10 3 1 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 . 2 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 56 0, 0.0 520,-0.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-173.1 33.7 -1.6 17.6 2 2 A S - 0 0 13 518,-0.1 518,-0.1 515,-0.1 520,-0.1 -0.746 360.0-134.2-146.1-162.9 30.7 -3.9 17.2 3 3 A A - 0 0 33 518,-0.4 2,-0.2 -2,-0.2 110,-0.0 -0.986 15.7-112.1-158.6 151.8 29.9 -7.7 17.0 4 4 A P - 0 0 45 0, 0.0 63,-0.1 0, 0.0 111,-0.1 -0.525 20.0-141.8 -76.1 156.3 28.0 -10.4 15.2 5 5 A I S S+ 0 0 51 61,-0.3 2,-0.1 -2,-0.2 62,-0.1 0.617 82.4 46.5 -89.8 -16.0 25.2 -12.1 17.1 6 6 A G S S- 0 0 15 142,-0.1 2,-0.4 60,-0.1 142,-0.2 -0.380 91.9 -90.3-111.3-168.4 26.1 -15.5 15.5 7 7 A S E -A 147 0A 82 140,-2.4 140,-2.4 -2,-0.1 59,-0.1 -0.870 48.5 -97.2-108.8 139.9 29.1 -17.7 14.8 8 8 A A E -A 146 0A 57 -2,-0.4 2,-0.3 138,-0.2 138,-0.2 -0.303 36.8-128.0 -61.8 132.4 31.1 -17.4 11.5 9 9 A I - 0 0 5 136,-3.1 136,-0.3 1,-0.1 2,-0.2 -0.617 27.3-105.8 -80.6 135.3 30.1 -20.0 8.9 10 10 A S - 0 0 82 -2,-0.3 3,-0.2 1,-0.1 -1,-0.1 -0.487 29.4-165.1 -61.5 129.0 32.9 -22.1 7.4 11 11 A R > + 0 0 45 -2,-0.2 3,-1.5 1,-0.2 -1,-0.1 0.200 50.3 117.3-105.1 9.7 33.5 -20.8 3.8 12 12 A N T 3 S+ 0 0 138 1,-0.3 -1,-0.2 0, 0.0 19,-0.0 0.863 87.9 27.0 -45.8 -49.9 35.6 -23.7 2.5 13 13 A N T 3 S+ 0 0 124 -3,-0.2 -1,-0.3 46,-0.1 2,-0.1 0.124 90.3 134.9-109.0 18.4 33.1 -24.8 -0.2 14 14 A W < - 0 0 23 -3,-1.5 2,-0.4 17,-0.1 45,-0.2 -0.405 41.5-152.1 -66.0 139.9 31.3 -21.5 -0.9 15 15 A A E -B 58 0A 41 43,-2.5 43,-3.6 -2,-0.1 2,-0.3 -0.965 17.3-167.3-108.6 136.0 30.7 -20.3 -4.4 16 16 A V E -B 57 0A 27 -2,-0.4 2,-0.4 41,-0.2 41,-0.2 -0.932 10.0-167.9-124.8 145.8 30.5 -16.5 -4.8 17 17 A T E -B 56 0A 94 39,-2.8 39,-3.3 -2,-0.3 2,-0.3 -0.997 3.7-167.4-134.4 138.5 29.3 -14.2 -7.7 18 18 A a E -B 55 0A 24 -2,-0.4 37,-0.2 37,-0.2 3,-0.2 -0.864 32.3-122.9-120.4 155.6 29.8 -10.5 -8.2 19 19 A D S S- 0 0 75 35,-1.5 2,-0.3 -2,-0.3 -1,-0.1 0.883 97.6 -15.2 -65.5 -37.7 28.1 -8.0 -10.6 20 20 A S - 0 0 13 34,-0.2 2,-0.3 -3,-0.0 -1,-0.3 -0.954 65.6-164.2-156.6 156.8 31.6 -7.2 -11.8 21 21 A A - 0 0 32 -2,-0.3 20,-0.3 20,-0.2 5,-0.1 -0.946 19.5-128.8-148.5 122.9 35.2 -7.7 -10.6 22 22 A Q > - 0 0 22 18,-2.9 3,-2.1 3,-0.4 18,-0.2 -0.387 42.6 -96.0 -62.1 142.1 38.5 -6.1 -11.6 23 23 A S T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.439 117.2 25.3 -60.4 134.6 41.3 -8.6 -12.4 24 24 A G T 3 S+ 0 0 48 -2,-0.1 -1,-0.3 -3,-0.1 14,-0.2 0.138 118.0 67.3 90.0 -17.3 43.4 -9.0 -9.3 25 25 A N S < S+ 0 0 26 -3,-2.1 15,-1.7 15,-0.2 -3,-0.4 -0.384 76.6 173.0-125.5 49.6 40.3 -8.1 -7.2 26 26 A E > - 0 0 62 13,-0.2 3,-2.4 -5,-0.1 4,-0.3 -0.184 46.8-107.9 -63.9 152.0 38.2 -11.1 -8.0 27 27 A a G > S+ 0 0 16 1,-0.3 3,-1.4 2,-0.2 12,-0.2 0.825 118.7 58.2 -43.5 -41.6 34.9 -11.8 -6.2 28 28 A N G > S+ 0 0 88 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.572 83.5 81.4 -75.7 -6.1 36.5 -14.7 -4.3 29 29 A K G X S+ 0 0 55 -3,-2.4 3,-0.6 1,-0.3 5,-0.3 0.672 83.5 64.0 -68.2 -18.8 39.1 -12.3 -2.7 30 30 A A G < S+ 0 0 0 -3,-1.4 113,-2.9 -4,-0.3 -1,-0.3 0.505 108.0 40.6 -80.8 -4.0 36.4 -11.3 -0.3 31 31 A I G < S+ 0 0 27 -3,-1.5 -1,-0.2 111,-0.2 -2,-0.2 0.103 83.7 97.1-129.3 23.7 36.3 -14.9 1.1 32 32 A D S < S- 0 0 73 -3,-0.6 -2,-0.1 109,-0.3 -3,-0.1 0.405 91.7-117.1 -94.6 2.1 40.1 -15.9 1.2 33 33 A G S S+ 0 0 53 1,-0.2 2,-0.6 108,-0.1 109,-0.1 0.569 78.5 121.4 76.1 8.5 40.6 -15.0 4.9 34 34 A N > - 0 0 69 -5,-0.3 3,-1.5 107,-0.2 -2,-0.2 -0.913 49.1-163.5-112.3 113.3 43.1 -12.3 4.0 35 35 A K T 3 S+ 0 0 53 -2,-0.6 39,-0.6 1,-0.3 -1,-0.1 0.611 89.8 60.8 -68.5 -13.0 42.3 -8.7 5.1 36 36 A D T 3 S+ 0 0 123 37,-0.1 2,-0.4 105,-0.1 -1,-0.3 0.513 95.5 70.8 -94.6 -6.3 44.8 -7.3 2.6 37 37 A T < + 0 0 34 -3,-1.5 2,-0.3 -8,-0.2 -5,-0.1 -0.928 64.8 175.6-108.9 139.7 43.0 -8.7 -0.4 38 38 A F - 0 0 22 -2,-0.4 103,-0.3 -14,-0.2 2,-0.3 -0.981 33.1-116.5-140.4 148.8 39.7 -7.3 -1.5 39 39 A W E -K 140 0B 2 101,-2.5 101,-1.7 -2,-0.3 2,-0.3 -0.613 35.7-176.8 -73.0 143.7 37.0 -7.6 -4.2 40 40 A H E -K 139 0B 6 -15,-1.7 -18,-2.9 -2,-0.3 99,-0.2 -0.975 21.4-124.6-146.3 133.9 36.7 -4.4 -6.3 41 41 A T - 0 0 0 97,-2.0 -20,-0.2 -2,-0.3 96,-0.1 -0.203 54.7 -56.5 -70.5 168.4 34.2 -3.7 -9.1 42 42 A F + 0 0 67 4,-0.1 2,-0.3 -20,-0.1 -1,-0.2 -0.116 66.6 162.9 -47.7 134.9 35.3 -2.5 -12.6 43 43 A Y > - 0 0 101 5,-0.1 3,-1.1 -3,-0.1 2,-0.9 -0.987 48.3 -7.9-153.8 154.5 37.4 0.7 -12.7 44 44 A G G > S+ 0 0 53 -2,-0.3 3,-1.1 1,-0.3 4,-0.1 -0.488 132.4 27.2 67.8-101.0 39.7 2.5 -15.1 45 45 A A G 3 S+ 0 0 103 -2,-0.9 -1,-0.3 1,-0.2 3,-0.1 0.879 126.7 46.0 -60.2 -43.8 40.2 0.2 -18.1 46 46 A N G < S- 0 0 86 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.419 118.3-107.6 -82.2 2.9 36.8 -1.7 -17.6 47 47 A G < - 0 0 32 -3,-1.1 -1,-0.3 1,-0.1 -2,-0.1 -0.236 32.9 -87.3 85.9 172.8 34.9 1.6 -17.2 48 48 A D - 0 0 69 -5,-0.2 -5,-0.1 -2,-0.1 -1,-0.1 -0.661 43.1-164.8-116.3 74.9 33.4 2.7 -13.9 49 49 A P - 0 0 50 0, 0.0 -8,-0.1 0, 0.0 -29,-0.0 -0.402 20.6-128.8 -63.6 132.1 29.9 1.1 -13.6 50 50 A K - 0 0 159 1,-0.1 87,-0.1 -2,-0.1 88,-0.1 -0.314 38.6 -60.9 -78.0 161.2 28.0 2.8 -10.8 51 51 A P S S+ 0 0 32 0, 0.0 2,-0.2 0, 0.0 78,-0.1 -0.322 83.0 96.5 -71.1 168.4 26.2 1.1 -8.0 52 52 A P + 0 0 76 0, 0.0 2,-0.3 0, 0.0 77,-0.2 0.258 61.8 178.3 -63.4 139.4 24.1 -0.9 -7.1 53 53 A H E - C 0 128A 1 75,-2.4 75,-3.9 -2,-0.2 2,-0.4 -0.923 13.3-144.9-117.0 150.4 26.8 -3.5 -6.9 54 54 A T E - C 0 127A 33 -2,-0.3 -35,-1.5 73,-0.2 2,-0.5 -0.944 17.9-168.9-130.6 131.7 26.1 -7.1 -5.8 55 55 A Y E -BC 18 126A 1 71,-2.8 71,-2.9 -2,-0.4 2,-0.5 -0.967 18.1-172.4-116.0 113.7 27.8 -9.8 -3.8 56 56 A T E -BC 17 125A 20 -39,-3.3 -39,-2.8 -2,-0.5 2,-0.5 -0.917 3.6-163.4-115.8 131.1 26.0 -13.2 -3.9 57 57 A I E -BC 16 124A 1 67,-3.4 67,-1.9 -2,-0.5 2,-0.6 -0.918 11.8-163.7-116.3 128.4 27.0 -16.2 -1.9 58 58 A D E -BC 15 123A 28 -43,-3.6 -43,-2.5 -2,-0.5 65,-0.2 -0.956 4.8-173.0-105.2 112.0 26.0 -19.9 -2.4 59 59 A M E - 0 0 6 63,-2.8 2,-1.9 -2,-0.6 -46,-0.1 0.333 32.2-133.0 -87.1 5.2 26.8 -21.6 0.9 60 60 A K E S+ 0 0 93 62,-0.2 2,-0.3 -45,-0.1 -1,-0.1 -0.113 80.9 44.9 72.3 -39.8 26.0 -25.1 -0.7 61 61 A T E S- 0 0 87 -2,-1.9 2,-0.3 61,-0.2 -2,-0.1 -0.888 98.2 -85.2-128.7 164.1 23.8 -26.1 2.2 62 62 A T E - 0 0 90 -2,-0.3 2,-0.3 58,-0.1 60,-0.3 -0.513 45.9-173.1 -68.8 123.5 21.0 -24.6 4.4 63 63 A Q E - C 0 121A 38 58,-3.4 58,-2.6 -2,-0.3 2,-1.7 -0.888 34.8-118.6-117.6 151.8 22.4 -22.5 7.4 64 64 A N E - C 0 120A 47 -2,-0.3 84,-2.7 84,-0.3 2,-0.2 -0.614 46.8-161.8 -85.7 78.1 20.5 -20.9 10.2 65 65 A V E +DC 147 119A 0 -2,-1.7 54,-2.2 54,-1.2 82,-0.3 -0.428 31.3 159.8 -77.1 130.6 21.7 -17.4 9.2 66 66 A N E - 0 0 6 80,-2.5 50,-2.0 1,-0.3 -61,-0.3 0.173 61.9 -12.9-134.5 16.3 21.6 -14.5 11.7 67 67 A G E -DC 146 115A 0 79,-1.0 79,-3.0 48,-0.2 2,-0.3 -0.916 45.5-137.0 173.9 169.0 24.0 -12.0 10.3 68 68 A L E -DC 145 114A 0 46,-2.2 46,-2.6 -2,-0.3 2,-0.3 -0.957 13.6-152.0-132.4 161.0 26.8 -10.9 8.0 69 69 A S E -DC 144 113A 9 75,-2.2 75,-2.1 -2,-0.3 2,-0.4 -0.964 3.2-160.0-125.1 154.4 29.9 -8.8 8.4 70 70 A M E -DC 143 112A 1 42,-2.8 42,-2.9 -2,-0.3 73,-0.2 -0.969 2.0-161.8-135.5 112.4 31.7 -6.7 5.9 71 71 A L E -D 142 0A 30 71,-3.1 70,-2.3 -2,-0.4 71,-1.5 -0.886 20.7-138.2 -95.3 118.4 35.3 -5.7 6.4 72 72 A P - 0 0 1 0, 0.0 68,-0.1 0, 0.0 9,-0.1 -0.196 40.9 -69.7 -66.6 163.2 36.2 -2.7 4.1 73 73 A R - 0 0 19 6,-0.2 3,-0.2 66,-0.1 -37,-0.1 -0.258 42.1-153.7 -50.5 143.4 39.5 -2.6 2.2 74 74 A Q + 0 0 74 -39,-0.6 -1,-0.1 1,-0.1 4,-0.1 0.100 67.1 98.6-113.1 19.1 42.4 -2.0 4.7 75 75 A D S S- 0 0 85 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.271 101.3-101.2 -94.7 10.9 44.9 -0.3 2.5 76 76 A G S S+ 0 0 85 1,-0.3 2,-0.4 -3,-0.2 -2,-0.1 0.527 88.2 120.4 81.6 6.3 44.1 3.3 3.5 77 77 A N - 0 0 62 1,-0.1 -1,-0.3 2,-0.1 -2,-0.3 -0.898 51.7-158.1-106.8 132.5 42.0 3.9 0.4 78 78 A Q > + 0 0 80 -2,-0.4 3,-1.8 -3,-0.1 2,-0.2 0.548 48.5 127.3 -84.8 -10.6 38.4 4.8 0.8 79 79 A N T 3 S+ 0 0 46 1,-0.2 -6,-0.2 59,-0.1 59,-0.1 -0.302 76.6 12.3 -60.0 116.0 37.2 3.7 -2.7 80 80 A G T 3 S+ 0 0 0 1,-0.3 59,-2.1 57,-0.3 -1,-0.2 0.489 73.8 158.7 99.7 4.0 34.2 1.3 -2.4 81 81 A W < - 0 0 38 -3,-1.8 51,-3.0 57,-0.2 2,-0.4 -0.456 47.6-118.3 -52.5 128.1 33.2 1.7 1.2 82 82 A I B +L 131 0C 5 49,-0.2 49,-0.2 57,-0.2 23,-0.2 -0.623 41.4 168.5 -82.8 129.1 29.6 0.5 1.1 83 83 A G + 0 0 5 47,-3.0 22,-1.7 1,-0.4 -1,-0.1 0.669 62.3 25.2 -98.9 -99.6 27.0 3.1 2.2 84 84 A R E S+E 104 0A 89 20,-0.2 46,-1.7 47,-0.1 45,-1.5 -0.454 81.4 158.9 -68.2 141.3 23.4 2.3 1.5 85 85 A H E -EF 103 128A 2 18,-2.4 18,-2.0 43,-0.3 2,-0.3 -0.984 31.4-151.0-160.5 162.4 22.8 -1.5 1.3 86 86 A E E -EF 102 127A 51 41,-1.8 41,-2.8 -2,-0.3 2,-0.5 -0.991 11.2-147.5-140.1 144.7 20.3 -4.3 1.6 87 87 A V E -EF 101 126A 0 14,-3.0 13,-2.4 -2,-0.3 14,-1.0 -0.965 18.0-172.6-113.5 128.6 20.8 -8.0 2.7 88 88 A Y E - 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