==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JUL-11 3SQR . COMPND 2 MOLECULE: LACCASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOTRYTIS ACLADA; . AUTHOR E.M.OSIPOV,K.M.POLYAKOV,T.V.TIKHONOVA,P.V.DOROVATOVSKY,R.LUD . 539 2 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 23.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 . 62 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 0 0 1 2 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 3 3 4 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 S 0 0 144 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.000 360.0 360.0 360.0 139.5 -16.8 22.6 -41.5 2 2 A a B -A 13 0A 61 11,-1.8 11,-3.0 13,-0.3 2,-0.3 -0.977 360.0-115.4-141.9 152.5 -13.3 23.9 -40.4 3 3 A A - 0 0 76 -2,-0.3 8,-0.2 9,-0.2 2,-0.2 -0.571 31.6-109.2 -83.1 142.9 -9.9 22.5 -41.0 4 4 A N + 0 0 48 -2,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.535 54.0 153.7 -64.0 131.6 -7.7 21.3 -38.1 5 5 A S B > -B 8 0B 38 3,-0.5 3,-2.2 -2,-0.2 151,-0.2 -0.955 61.4 -89.3-150.5 173.6 -4.8 23.7 -37.6 6 6 A A T 3 S+ 0 0 33 -2,-0.3 150,-0.6 1,-0.3 3,-0.2 0.724 130.9 38.5 -53.6 -28.1 -2.4 24.9 -34.9 7 7 A T T 3 S+ 0 0 116 1,-0.2 -1,-0.3 148,-0.2 148,-0.1 0.081 122.9 41.2-113.6 19.6 -5.0 27.6 -34.1 8 8 A S B X +B 5 0B 31 -3,-2.2 3,-1.6 148,-0.2 -3,-0.5 -0.238 60.0 149.7-159.5 55.7 -8.1 25.5 -34.5 9 9 A R T 3 + 0 0 34 1,-0.3 143,-2.3 -3,-0.2 -5,-0.1 0.730 69.3 69.5 -66.8 -20.1 -7.3 22.1 -33.0 10 10 A S T 3 S+ 0 0 54 141,-0.2 7,-2.1 143,-0.1 8,-0.3 0.721 86.9 89.2 -68.9 -18.8 -11.0 21.7 -32.1 11 11 A a E < +C 16 0C 8 -3,-1.6 5,-0.2 -8,-0.2 3,-0.1 -0.535 39.4 166.4 -87.7 145.0 -11.7 21.3 -35.8 12 12 A W E > -C 15 0C 54 3,-2.3 3,-1.5 1,-0.5 2,-0.4 -0.242 60.7 -95.5-145.0 50.4 -11.8 18.2 -37.9 13 13 A G B 3 S-A 2 0A 26 -11,-3.0 -11,-1.8 1,-0.3 -1,-0.5 -0.636 106.8 -3.6 77.4-124.9 -13.6 19.2 -41.1 14 14 A E T 3 S+ 0 0 84 -2,-0.4 -1,-0.3 -13,-0.2 2,-0.2 0.591 137.7 61.5 -72.4 -14.5 -17.3 18.4 -40.8 15 15 A Y E < +C 12 0C 68 -3,-1.5 -3,-2.3 -13,-0.2 -13,-0.3 -0.617 65.5 168.5-110.4 171.3 -16.4 16.8 -37.5 16 16 A S E > -C 11 0C 30 -5,-0.2 3,-1.9 -2,-0.2 -5,-0.2 -0.943 55.2 -69.0-162.2-175.6 -15.0 18.3 -34.4 17 17 A I T 3 S+ 0 0 6 -7,-2.1 -6,-0.1 -2,-0.3 136,-0.1 0.640 127.6 58.6 -60.9 -19.1 -14.2 17.9 -30.7 18 18 A D T 3 S+ 0 0 105 -8,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.525 78.8 112.5 -94.2 -4.1 -18.0 18.0 -30.2 19 19 A T S < S- 0 0 20 -3,-1.9 2,-1.4 1,-0.1 324,-0.1 -0.463 74.1-124.8 -66.2 133.4 -18.7 15.0 -32.4 20 20 A N >> - 0 0 35 -2,-0.2 4,-2.2 1,-0.2 3,-1.8 -0.675 27.9-173.8 -80.7 95.6 -20.0 12.0 -30.5 21 21 A W T 34 S+ 0 0 2 -2,-1.4 -1,-0.2 1,-0.3 -2,-0.0 0.583 78.8 65.5 -71.1 -9.5 -17.3 9.5 -31.7 22 22 A Y T 34 S+ 0 0 32 1,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.680 119.5 23.6 -73.1 -26.9 -19.2 6.7 -29.9 23 23 A D T <4 S+ 0 0 125 -3,-1.8 2,-0.3 1,-0.2 -2,-0.2 0.617 123.9 46.6-110.0 -26.7 -22.0 7.2 -32.4 24 24 A V < - 0 0 64 -4,-2.2 -1,-0.2 99,-0.1 -5,-0.0 -0.968 58.4-173.3-128.6 137.1 -20.4 8.9 -35.5 25 25 A T - 0 0 47 -2,-0.3 98,-0.1 -3,-0.1 3,-0.1 -0.991 22.2-125.5-136.0 128.0 -17.3 8.0 -37.4 26 26 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.157 30.3-110.7 -57.0 155.9 -15.5 9.9 -40.2 27 27 A T + 0 0 128 1,-0.0 42,-0.2 42,-0.0 2,-0.1 -0.798 51.2 159.9 -87.0 134.7 -14.8 8.1 -43.4 28 28 A G - 0 0 35 40,-0.9 2,-0.3 -2,-0.5 41,-0.2 -0.310 34.5 -87.5-125.8-143.5 -11.1 7.6 -43.7 29 29 A V - 0 0 76 37,-0.1 41,-2.1 -2,-0.1 2,-0.5 -0.799 38.5 -91.8-129.3 173.0 -8.8 5.3 -45.7 30 30 A T E -d 70 0D 89 -2,-0.3 2,-0.5 39,-0.2 41,-0.2 -0.753 35.7-168.1 -91.0 126.3 -7.3 1.9 -45.3 31 31 A R E -d 71 0D 81 39,-3.1 41,-2.5 -2,-0.5 2,-0.4 -0.979 5.9-158.8-118.4 129.6 -3.9 1.7 -43.8 32 32 A E E +d 72 0D 96 -2,-0.5 2,-0.3 39,-0.2 41,-0.2 -0.904 10.8 179.8-114.7 138.5 -1.9 -1.5 -43.9 33 33 A Y E -d 73 0D 53 39,-3.1 41,-3.0 -2,-0.4 2,-0.5 -0.960 18.1-152.2-136.7 147.5 0.9 -2.6 -41.7 34 34 A W E -d 74 0D 159 -2,-0.3 2,-0.4 39,-0.2 41,-0.2 -0.990 20.4-176.1-118.7 122.9 3.2 -5.6 -41.4 35 35 A L E -d 75 0D 5 39,-3.7 41,-2.9 -2,-0.5 2,-0.5 -0.974 11.9-158.6-122.5 140.2 4.5 -6.4 -38.0 36 36 A S E -d 76 0D 16 -2,-0.4 19,-3.1 39,-0.2 2,-0.7 -0.958 13.3-142.1-117.3 123.5 6.9 -9.0 -37.0 37 37 A V E -dE 77 54D 0 39,-3.1 41,-1.9 -2,-0.5 2,-0.3 -0.758 37.3-171.7 -83.9 116.4 7.1 -10.2 -33.4 38 38 A E E - E 0 53D 65 15,-3.7 15,-2.4 -2,-0.7 2,-0.7 -0.806 36.9-131.0-124.7 154.1 10.7 -10.8 -32.9 39 39 A N E + E 0 52D 105 39,-0.5 13,-0.2 -2,-0.3 2,-0.2 -0.898 51.5 168.9 -98.8 109.4 13.3 -12.2 -30.5 40 40 A S E - E 0 51D 14 11,-3.2 11,-2.1 -2,-0.7 2,-0.4 -0.603 39.7-132.0-123.6 175.6 15.8 -9.4 -30.3 41 41 A T E + E 0 50D 106 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.999 34.6 168.4-130.8 127.0 18.9 -8.0 -28.6 42 42 A I E - E 0 49D 24 7,-2.7 7,-2.5 -2,-0.4 15,-0.1 -0.962 32.6-152.5-137.0 162.6 18.9 -4.4 -27.6 43 43 A T + 0 0 68 -2,-0.3 3,-0.4 5,-0.2 5,-0.2 -0.681 29.4 156.4-131.9 82.8 20.9 -1.9 -25.6 44 44 A P S S+ 0 0 18 0, 0.0 153,-0.9 0, 0.0 170,-0.4 0.742 81.7 18.4 -82.8 -22.8 18.4 0.9 -24.5 45 45 A D S S- 0 0 0 2,-0.4 168,-0.5 151,-0.2 167,-0.1 -0.013 124.2 -77.4-140.0 28.5 20.3 2.1 -21.5 46 46 A G S S+ 0 0 2 -3,-0.4 165,-2.7 166,-0.2 164,-0.7 0.460 106.8 104.5 80.5 1.1 23.9 0.8 -21.9 47 47 A Y B -H 209 0E 23 162,-0.2 2,-0.4 163,-0.2 -2,-0.4 -0.971 65.0-141.9-116.7 124.3 22.9 -2.7 -20.9 48 48 A T + 0 0 27 160,-2.8 2,-0.3 -2,-0.5 -5,-0.2 -0.649 36.6 144.3 -91.6 128.3 22.5 -5.3 -23.5 49 49 A R E -E 42 0D 13 -7,-2.5 -7,-2.7 -2,-0.4 122,-0.1 -0.965 48.2 -82.6-153.5 169.1 19.7 -7.8 -23.2 50 50 A S E -E 41 0D 49 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.3 -0.314 44.2-179.0 -69.5 157.8 17.2 -9.8 -24.9 51 51 A A E -E 40 0D 0 -11,-2.1 -11,-3.2 121,-0.1 2,-0.5 -0.986 30.1-133.1-151.0 160.0 13.8 -8.4 -25.9 52 52 A M E +E 39 0D 23 88,-2.2 2,-0.3 -2,-0.3 -13,-0.2 -0.985 46.8 167.7-111.9 117.7 10.6 -9.3 -27.5 53 53 A T E -E 38 0D 0 -15,-2.4 -15,-3.7 -2,-0.5 2,-0.8 -0.851 46.7-116.7-129.9 161.0 9.8 -6.7 -30.1 54 54 A F E > S-EF 37 57D 0 3,-0.6 3,-1.2 87,-0.4 -17,-0.2 -0.889 104.6 -17.1 -90.5 113.9 7.8 -5.6 -33.0 55 55 A N T 3 S- 0 0 71 -19,-3.1 -1,-0.2 -2,-0.8 -18,-0.1 0.802 118.8 -66.0 63.6 28.7 10.3 -5.2 -35.8 56 56 A G T 3 S+ 0 0 30 -20,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.572 107.2 97.9 78.4 13.7 13.4 -5.1 -33.7 57 57 A T B < -F 54 0D 69 -3,-1.2 -3,-0.6 84,-0.1 -1,-0.2 -0.951 69.0-117.1-131.1 152.2 12.9 -1.9 -31.8 58 58 A V S S+ 0 0 22 -2,-0.3 2,-0.2 -5,-0.1 86,-0.1 -0.988 109.1 34.7-124.6 118.7 11.6 -0.9 -28.3 59 59 A P S S- 0 0 26 0, 0.0 85,-0.3 0, 0.0 3,-0.1 0.640 107.1-126.3 -61.2 158.7 9.2 0.8 -28.7 60 60 A G - 0 0 6 83,-3.3 -5,-0.1 81,-0.2 -2,-0.1 -0.039 46.5 -57.1 -59.1 176.3 7.8 -0.9 -31.7 61 61 A P - 0 0 39 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.188 61.1-106.8 -55.9 145.2 6.9 0.9 -35.0 62 62 A A - 0 0 46 82,-0.1 2,-0.6 -3,-0.1 84,-0.2 -0.593 22.5-154.0 -73.1 135.7 4.4 3.7 -34.7 63 63 A I E -i 146 0F 0 82,-2.3 84,-2.4 -2,-0.3 2,-0.5 -0.969 20.8-179.2-107.7 116.9 1.0 3.0 -36.1 64 64 A I E +i 147 0F 79 -2,-0.6 2,-0.3 82,-0.2 84,-0.2 -0.976 10.1 152.7-123.6 125.8 -0.4 6.4 -37.1 65 65 A A E -i 148 0F 1 82,-2.3 84,-3.1 -2,-0.5 2,-0.4 -0.821 38.5-108.6-140.8 174.4 -3.8 6.7 -38.5 66 66 A D E > -i 149 0F 56 -2,-0.3 3,-2.7 82,-0.2 56,-0.2 -0.879 49.4 -83.3-105.4 151.7 -6.6 9.2 -38.8 67 67 A W T 3 S+ 0 0 3 82,-2.5 56,-0.2 -2,-0.4 58,-0.1 -0.251 119.3 22.9 -47.2 125.0 -9.9 9.0 -37.0 68 68 A G T 3 S+ 0 0 0 54,-2.8 -40,-0.9 1,-0.3 -1,-0.3 0.250 89.9 134.9 97.0 -13.6 -12.2 6.7 -39.1 69 69 A D < - 0 0 2 -3,-2.7 53,-2.8 -42,-0.2 2,-0.5 -0.304 54.1-127.0 -67.3 154.3 -9.4 4.9 -40.9 70 70 A N E -dG 30 121D 65 -41,-2.1 -39,-3.1 51,-0.2 2,-0.4 -0.926 23.8-151.3-101.7 127.8 -9.5 1.1 -41.3 71 71 A L E -dG 31 120D 1 49,-3.3 49,-1.7 -2,-0.5 2,-0.5 -0.857 13.7-171.3-101.3 135.7 -6.3 -0.6 -40.1 72 72 A I E -dG 32 119D 30 -41,-2.5 -39,-3.1 -2,-0.4 2,-0.6 -0.987 12.4-178.5-120.3 112.4 -5.1 -3.9 -41.5 73 73 A I E -dG 33 118D 0 45,-3.0 45,-2.7 -2,-0.5 2,-0.7 -0.926 14.6-156.7-123.2 104.5 -2.2 -5.1 -39.4 74 74 A H E -dG 34 117D 29 -41,-3.0 -39,-3.7 -2,-0.6 2,-0.7 -0.745 14.0-166.6 -79.8 111.4 -0.5 -8.3 -40.4 75 75 A V E -dG 35 116D 0 41,-2.7 41,-2.6 -2,-0.7 2,-0.5 -0.910 4.7-171.2-109.7 114.3 1.1 -9.8 -37.3 76 76 A T E -dG 36 115D 31 -41,-2.9 -39,-3.1 -2,-0.7 2,-1.1 -0.872 19.2-137.8-106.2 126.7 3.6 -12.6 -37.8 77 77 A N E +d 37 0D 0 37,-3.0 36,-3.7 -2,-0.5 37,-0.2 -0.743 29.0 168.3 -84.4 103.3 4.9 -14.4 -34.8 78 78 A N + 0 0 81 -41,-1.9 -39,-0.5 -2,-1.1 2,-0.2 0.114 41.2 110.4-102.4 21.0 8.6 -14.8 -35.3 79 79 A L - 0 0 8 3,-0.2 34,-0.3 -41,-0.2 -42,-0.1 -0.625 58.9-150.4 -80.7 152.2 9.3 -15.9 -31.8 80 80 A E S S+ 0 0 141 -2,-0.2 -1,-0.1 32,-0.1 -3,-0.0 0.781 85.8 31.4 -89.8 -32.1 10.3 -19.6 -31.6 81 81 A H S S+ 0 0 71 450,-0.1 2,-0.3 451,-0.1 452,-0.2 0.144 108.8 57.7-124.3 10.9 9.0 -20.5 -28.0 82 82 A N - 0 0 26 28,-0.1 -3,-0.2 450,-0.1 2,-0.1 -0.991 65.1-135.3-135.4 144.2 5.9 -18.3 -27.3 83 83 A G - 0 0 1 -2,-0.3 2,-0.3 28,-0.1 28,-0.2 -0.261 31.9-158.2 -62.1 177.3 2.6 -17.8 -28.9 84 84 A T B -L 110 0G 0 26,-0.9 26,-3.0 -2,-0.1 2,-0.3 -0.978 18.1-171.8-156.4 170.8 1.7 -14.1 -29.1 85 85 A S - 0 0 0 -2,-0.3 48,-3.0 24,-0.2 49,-0.5 -0.876 18.8-139.2-169.6 125.9 -1.5 -12.0 -29.4 86 86 A I E -J 132 0F 0 -2,-0.3 2,-0.3 46,-0.3 46,-0.2 -0.871 11.7-162.7-112.1 125.1 -1.6 -8.3 -29.9 87 87 A H E -J 131 0F 1 44,-2.8 44,-2.5 -2,-0.5 2,-0.8 -0.778 15.2-142.5-104.3 142.7 -4.0 -6.0 -28.2 88 88 A W E > -J 130 0F 0 12,-0.5 3,-2.0 -2,-0.3 42,-0.2 -0.900 37.1-123.4-107.8 99.0 -4.8 -2.4 -29.4 89 89 A H T 3 S- 0 0 0 40,-2.1 40,-0.3 -2,-0.8 3,-0.1 -0.270 81.2 -5.5 -65.0 127.6 -5.1 -0.7 -26.1 90 90 A G T 3 S+ 0 0 7 1,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.432 89.9 144.1 77.9 1.3 -8.4 1.1 -25.5 91 91 A I < - 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