==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-OCT-01 1K3I . COMPND 2 MOLECULE: GALACTOSE OXIDASE PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM SP.; . AUTHOR S.J.FIRBANK,M.S.ROGERS,C.M.WILMOT,D.M.DOOLEY,M.A.HALCROW, . 651 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 218 33.5 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 . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 49 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.5 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 . 5 0.8 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 9 3 8 11 9 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 . 2 1 6 0 1 1 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 -12 A I 0 0 136 0, 0.0 3,-0.1 0, 0.0 204,-0.0 0.000 360.0 360.0 360.0 96.3 -10.9 42.3 27.4 2 -11 A P - 0 0 53 0, 0.0 2,-0.4 0, 0.0 9,-0.0 -0.147 360.0 -87.0 -74.1 173.0 -7.7 40.9 25.8 3 -10 A E S S- 0 0 33 7,-0.0 119,-0.1 119,-0.0 9,-0.1 -0.700 83.6 -30.8 -85.4 129.2 -6.9 40.9 22.1 4 -9 A G S S- 0 0 22 -2,-0.4 2,-0.3 117,-0.1 3,-0.0 -0.234 81.7 -82.5 67.5-152.0 -8.1 38.0 20.1 5 -8 A S > > - 0 0 42 1,-0.1 5,-2.0 6,-0.0 3,-0.7 -0.961 23.6-108.5-151.3 166.3 -8.6 34.5 21.5 6 -7 A L G > 5S+ 0 0 61 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.847 113.1 67.9 -66.0 -34.1 -6.7 31.2 22.3 7 -6 A Q G 3 5S+ 0 0 166 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.818 109.8 35.4 -55.1 -33.3 -8.5 29.5 19.4 8 -5 A F G < 5S- 0 0 48 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.2 0.397 109.2-121.2-101.5 0.9 -6.5 31.8 17.0 9 -4 A L T < 5 - 0 0 21 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.957 50.9-173.8 55.2 51.8 -3.3 31.8 19.2 10 -3 A S < - 0 0 2 -5,-2.0 2,-0.3 -7,-0.1 -1,-0.1 -0.352 20.6-174.8 -80.7 157.2 -3.6 35.6 19.3 11 -2 A L - 0 0 10 -2,-0.1 2,-0.3 518,-0.1 518,-0.2 -0.976 34.5-102.7-146.7 148.4 -1.3 38.2 20.8 12 -1 A R - 0 0 62 516,-1.8 521,-0.3 -2,-0.3 2,-0.3 -0.584 38.7-133.4 -74.7 134.9 -1.7 42.0 21.2 13 1 A A - 0 0 11 110,-0.4 2,-0.2 -2,-0.3 521,-0.2 -0.689 20.1-111.2 -91.1 144.5 0.3 43.9 18.5 14 2 A S - 0 0 11 519,-2.6 521,-0.2 -2,-0.3 518,-0.1 -0.532 27.1-142.6 -77.8 137.5 2.5 46.8 19.5 15 3 A A - 0 0 37 516,-0.4 112,-0.1 -2,-0.2 110,-0.1 -0.393 29.0 -92.8 -89.3 169.0 1.4 50.3 18.4 16 4 A P - 0 0 17 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 -0.371 43.8 -97.7 -78.5 166.4 3.9 53.0 17.2 17 5 A I S S+ 0 0 106 485,-0.3 144,-0.3 61,-0.1 2,-0.3 -0.707 93.2 68.9 -85.3 92.8 5.2 55.5 19.7 18 6 A G S S- 0 0 36 -2,-1.4 2,-0.3 142,-0.1 142,-0.2 -0.972 80.5 -83.6 177.8-177.9 2.8 58.3 18.9 19 7 A S E -A 159 0A 70 140,-1.7 140,-2.3 -2,-0.3 2,-0.1 -0.852 41.1-101.2-115.9 148.9 -0.8 59.5 19.2 20 8 A A E -A 158 0A 54 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.407 39.5-123.3 -65.2 134.4 -3.8 58.9 17.0 21 9 A I - 0 0 6 136,-2.9 136,-0.3 -2,-0.1 2,-0.1 -0.603 29.7-102.5 -81.7 137.8 -4.6 61.8 14.7 22 10 A S - 0 0 81 -2,-0.3 3,-0.3 1,-0.1 -1,-0.1 -0.387 30.3-164.5 -60.1 132.4 -8.1 63.4 14.9 23 11 A R > + 0 0 47 1,-0.2 3,-1.4 2,-0.1 -1,-0.1 0.380 58.8 104.3-102.5 2.6 -10.2 62.2 12.0 24 12 A N T 3 S+ 0 0 117 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.796 88.6 37.9 -55.3 -33.7 -13.0 64.7 12.2 25 13 A N T 3 S+ 0 0 109 -3,-0.3 -1,-0.3 46,-0.1 -2,-0.1 0.377 90.5 126.7-100.8 4.1 -11.8 66.7 9.2 26 14 A W < - 0 0 23 -3,-1.4 2,-0.5 17,-0.1 45,-0.2 -0.267 47.7-152.0 -66.2 146.9 -10.6 63.8 7.1 27 15 A A E -B 70 0A 37 43,-1.9 43,-2.4 2,-0.0 2,-0.3 -0.983 21.2-169.1-118.3 115.1 -11.7 63.1 3.5 28 16 A V E -B 69 0A 27 -2,-0.5 2,-0.3 41,-0.2 41,-0.2 -0.850 10.1-180.0-112.7 146.7 -11.7 59.4 2.7 29 17 A T E -B 68 0A 86 39,-2.2 39,-3.1 -2,-0.3 2,-0.3 -0.983 2.4-173.4-140.7 149.7 -12.0 57.6 -0.6 30 18 A C E -B 67 0A 36 -2,-0.3 37,-0.2 37,-0.2 3,-0.1 -0.921 38.5-112.0-138.7 164.7 -12.0 53.9 -1.7 31 19 A D S S- 0 0 78 35,-1.2 2,-0.3 -2,-0.3 36,-0.1 0.822 98.0 -14.4 -69.3 -27.8 -12.0 52.0 -4.9 32 20 A S - 0 0 13 34,-0.3 2,-0.3 2,-0.0 -1,-0.2 -0.961 59.5-166.8-168.0 155.6 -15.5 50.7 -4.1 33 21 A A - 0 0 29 -2,-0.3 20,-0.3 20,-0.2 5,-0.1 -0.923 22.2-125.7-155.7 126.1 -18.0 50.4 -1.2 34 22 A Q > - 0 0 20 18,-2.6 3,-2.3 3,-0.3 2,-0.3 -0.343 43.2 -94.0 -67.6 148.9 -21.2 48.5 -0.8 35 23 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.493 118.4 26.2 -65.1 126.9 -24.3 50.4 0.2 36 24 A G T 3 S+ 0 0 44 -2,-0.3 -1,-0.3 -3,-0.1 14,-0.2 0.136 115.7 67.5 104.0 -19.4 -24.5 50.2 4.0 37 25 A N S < S+ 0 0 24 -3,-2.3 15,-1.8 15,-0.2 -3,-0.3 -0.363 74.4 173.1-127.4 49.8 -20.7 49.7 4.3 38 26 A E > - 0 0 64 13,-0.2 3,-1.3 -5,-0.1 4,-0.1 -0.048 45.5-107.1 -56.0 163.2 -19.6 53.2 3.1 39 27 A C G > S+ 0 0 16 1,-0.3 3,-1.2 2,-0.2 12,-0.2 0.764 117.2 60.7 -66.1 -28.7 -16.0 54.2 3.2 40 28 A N G > S+ 0 0 92 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.567 83.1 83.1 -78.2 -4.9 -16.5 56.6 6.1 41 29 A K G < S+ 0 0 61 -3,-1.3 3,-0.5 1,-0.3 -1,-0.3 0.663 83.0 61.9 -70.1 -15.7 -17.7 53.6 8.2 42 30 A A G < S+ 0 0 0 -3,-1.2 113,-2.7 1,-0.2 -1,-0.3 0.505 111.0 37.4 -87.5 -5.2 -14.0 53.0 8.8 43 31 A I S < S+ 0 0 29 -3,-1.5 -1,-0.2 111,-0.2 -2,-0.2 0.044 86.0 96.7-133.0 27.2 -13.6 56.3 10.6 44 32 A D S S- 0 0 70 -3,-0.5 3,-0.1 109,-0.3 -2,-0.1 0.468 90.2-118.9 -96.3 -1.8 -16.9 56.7 12.5 45 33 A G S S+ 0 0 49 1,-0.2 2,-0.7 108,-0.2 109,-0.1 0.400 75.7 123.4 81.9 -4.4 -15.5 55.4 15.8 46 34 A N > - 0 0 72 -5,-0.2 3,-1.4 107,-0.2 -1,-0.2 -0.827 47.9-162.1 -95.1 115.5 -18.0 52.5 15.8 47 35 A K T 3 S+ 0 0 136 -2,-0.7 39,-0.5 1,-0.3 -1,-0.1 0.666 90.3 59.2 -68.7 -15.5 -16.2 49.1 16.1 48 36 A D T 3 S+ 0 0 128 37,-0.1 2,-0.4 38,-0.1 -1,-0.3 0.415 95.2 72.6 -94.3 0.8 -19.3 47.4 14.9 49 37 A T < + 0 0 33 -3,-1.4 2,-0.3 104,-0.2 -5,-0.1 -0.927 63.0 179.6-116.1 142.3 -19.5 49.3 11.6 50 38 A F - 0 0 26 -2,-0.4 2,-0.3 -14,-0.2 103,-0.3 -0.983 31.6-116.9-145.3 154.6 -17.1 48.6 8.7 51 39 A W E -K 152 0B 1 101,-2.8 101,-1.7 -2,-0.3 2,-0.3 -0.636 36.5-177.0 -81.7 144.3 -16.3 49.6 5.1 52 40 A H E -K 151 0B 8 -15,-1.8 -18,-2.6 -2,-0.3 99,-0.2 -0.984 21.3-125.0-147.4 134.1 -16.7 46.8 2.7 53 41 A T - 0 0 0 97,-2.0 -20,-0.2 -2,-0.3 -19,-0.1 -0.204 54.9 -56.4 -72.6 169.8 -15.9 46.7 -1.1 54 42 A F + 0 0 73 4,-0.1 2,-0.3 -21,-0.1 -1,-0.2 -0.093 68.5 152.6 -48.6 140.0 -18.5 45.7 -3.7 55 43 A Y > + 0 0 90 5,-0.1 3,-1.7 -3,-0.1 2,-0.2 -0.960 43.7 11.9-160.3 168.8 -20.1 42.3 -3.3 56 44 A G G > S+ 0 0 45 -2,-0.3 3,-2.1 1,-0.3 -2,-0.0 -0.369 129.0 12.6 62.6-123.6 -23.3 40.4 -4.2 57 45 A A G 3 S+ 0 0 108 1,-0.3 -1,-0.3 -2,-0.2 3,-0.1 0.729 129.5 56.0 -59.0 -24.9 -25.5 42.4 -6.7 58 46 A N G < S- 0 0 82 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.399 116.9-112.2 -89.1 3.6 -22.6 44.7 -7.4 59 47 A G < - 0 0 31 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.0 -0.220 28.1 -87.2 88.6 174.1 -20.4 41.9 -8.4 60 48 A D - 0 0 78 -5,-0.2 -5,-0.1 -3,-0.1 -1,-0.1 -0.577 42.6-166.4-124.1 70.1 -17.3 40.7 -6.5 61 49 A P - 0 0 51 0, 0.0 -8,-0.1 0, 0.0 -29,-0.0 -0.317 18.6-131.4 -59.1 130.9 -14.3 42.7 -7.7 62 50 A K - 0 0 164 1,-0.2 87,-0.1 87,-0.1 88,-0.1 -0.264 37.4 -50.7 -80.6 166.7 -11.0 41.2 -6.6 63 51 A P S S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 78,-0.1 -0.165 83.3 88.5 -64.9 169.4 -8.0 43.0 -4.9 64 52 A P + 0 0 83 0, 0.0 2,-0.4 0, 0.0 77,-0.2 0.428 61.2 175.6 -68.7 147.9 -6.0 45.2 -4.9 65 53 A H E - C 0 140A 2 75,-1.8 75,-3.0 -2,-0.1 2,-0.4 -0.952 12.7-151.2-123.0 143.7 -8.4 47.4 -2.9 66 54 A T E - C 0 139A 31 -2,-0.4 -35,-1.2 73,-0.2 2,-0.5 -0.940 17.1-168.0-127.2 143.2 -7.5 50.8 -1.7 67 55 A Y E -BC 30 138A 1 71,-2.4 71,-2.6 -2,-0.4 2,-0.4 -0.988 18.8-168.4-123.9 116.6 -8.3 53.1 1.2 68 56 A T E -BC 29 137A 15 -39,-3.1 -39,-2.2 -2,-0.5 2,-0.5 -0.924 3.8-162.2-115.2 133.4 -7.1 56.7 0.8 69 57 A I E -BC 28 136A 2 67,-3.3 67,-2.1 -2,-0.4 2,-0.7 -0.942 9.8-165.1-117.8 127.2 -7.0 59.4 3.5 70 58 A D E -BC 27 135A 21 -43,-2.4 -43,-1.9 -2,-0.5 65,-0.2 -0.931 4.6-173.2-107.4 107.0 -6.7 63.2 3.0 71 59 A M E - 0 0 6 63,-2.9 2,-0.7 -2,-0.7 64,-0.1 0.440 31.3-134.4 -80.8 0.7 -5.8 64.5 6.5 72 60 A K E S+ 0 0 99 62,-0.3 2,-0.3 -45,-0.1 -1,-0.1 0.036 80.0 49.6 71.5 -27.8 -6.1 68.1 5.2 73 61 A T E S- 0 0 80 -2,-0.7 2,-0.2 61,-0.2 -2,-0.1 -0.951 95.1 -91.6-138.4 157.9 -2.9 69.2 6.9 74 62 A T E + 0 0 79 -2,-0.3 2,-0.3 58,-0.1 60,-0.2 -0.479 44.0 178.8 -73.3 137.5 0.7 67.9 7.1 75 63 A Q E - C 0 133A 43 58,-2.4 58,-2.3 -2,-0.2 2,-1.5 -0.948 38.9-113.0-135.6 153.3 1.4 65.6 10.0 76 64 A N E - C 0 132A 50 -2,-0.3 84,-2.9 84,-0.3 2,-0.3 -0.688 46.1-161.7 -89.7 86.4 4.6 63.7 11.1 77 65 A V E +DC 159 131A 0 -2,-1.5 54,-1.7 54,-1.4 82,-0.2 -0.527 29.9 160.4 -77.0 129.4 3.2 60.2 10.4 78 66 A N E - 0 0 6 80,-2.2 50,-1.9 -2,-0.3 2,-0.3 0.218 62.3 -11.5-131.3 14.1 4.9 57.2 11.9 79 67 A G E -DC 158 127A 0 79,-0.8 79,-2.8 48,-0.2 2,-0.3 -0.952 47.6-139.7 169.5 171.3 2.2 54.5 11.7 80 68 A L E -DC 157 126A 0 46,-1.7 46,-2.2 -2,-0.3 2,-0.3 -0.982 12.8-145.5-150.6 154.9 -1.3 53.3 11.1 81 69 A S E -DC 156 125A 8 75,-2.3 75,-1.9 -2,-0.3 2,-0.4 -0.941 4.4-161.2-125.8 150.1 -3.7 50.8 12.7 82 70 A M E -DC 155 124A 3 42,-2.7 42,-2.8 -2,-0.3 73,-0.2 -0.969 1.1-164.7-134.9 114.8 -6.4 48.6 11.2 83 71 A L E -D 154 0A 17 71,-3.0 70,-2.4 -2,-0.4 71,-1.6 -0.899 21.2-143.0 -99.1 117.5 -9.2 47.1 13.2 84 72 A P - 0 0 1 0, 0.0 68,-0.1 0, 0.0 8,-0.1 -0.227 38.9 -67.0 -74.8 169.2 -10.9 44.3 11.2 85 73 A R - 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