==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-NOV-10 3PPS . COMPND 2 MOLECULE: LACCASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THIELAVIA ARENARIA; . AUTHOR J.P.KALLIO,J.ROUVINEN,N.HAKULINEN . 2256 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 78071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1474 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 174 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 507 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 30 1.3 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 . 2 0.1 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 . 298 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 193 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.4 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 4 4 4 0 4 4 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 12 4 0 4 2 2 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 . 29 8 11 23 10 8 12 4 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 . 4 0 4 10 4 6 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 0 103 0, 0.0 32,-0.1 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 114.7 20.6 23.8 19.2 2 2 A G - 0 0 21 1,-0.4 2,-0.1 73,-0.1 12,-0.0 0.011 360.0 -29.5-107.2-136.5 20.4 20.2 20.6 3 3 A P + 0 0 64 0, 0.0 -1,-0.4 0, 0.0 12,-0.3 -0.427 41.7 177.0 -77.9 156.0 18.0 19.0 23.3 4 4 A T S S+ 0 0 111 10,-2.9 11,-0.2 -2,-0.1 10,-0.1 0.397 88.3 23.7-129.7 -15.0 16.7 21.1 26.1 5 5 A a S S+ 0 0 34 9,-2.1 2,-1.0 6,-0.1 8,-0.3 0.035 84.5 122.9-139.1 28.6 14.4 18.6 27.8 6 6 A N + 0 0 29 8,-0.5 5,-0.2 6,-0.1 8,-0.1 -0.793 36.5 154.3 -96.7 99.0 15.8 15.2 26.7 7 7 A T - 0 0 62 3,-1.1 3,-0.3 -2,-1.0 157,-0.2 -0.805 59.7 -98.5-125.4 162.6 16.7 13.3 29.9 8 8 A P S S+ 0 0 60 0, 0.0 156,-1.1 0, 0.0 3,-0.3 0.785 126.4 38.8 -45.1 -35.2 17.0 9.7 31.0 9 9 A S S S+ 0 0 96 1,-0.2 2,-0.3 154,-0.2 3,-0.2 0.770 122.6 40.3 -91.4 -30.0 13.5 9.8 32.4 10 10 A N > + 0 0 77 -3,-0.3 -3,-1.1 1,-0.1 3,-0.6 -0.607 58.3 149.9-123.1 72.8 11.9 11.9 29.7 11 11 A R T 3 + 0 0 30 -2,-0.3 149,-1.9 -3,-0.3 -1,-0.1 0.679 66.9 71.6 -74.2 -17.5 13.2 10.8 26.3 12 12 A A T 3 S+ 0 0 34 147,-0.2 8,-1.7 -3,-0.2 2,-0.4 0.814 88.0 70.5 -69.0 -32.8 9.9 11.8 24.6 13 13 A a E < +A 19 0A 30 -3,-0.6 6,-0.2 -8,-0.3 -6,-0.2 -0.726 51.3 165.4 -89.6 137.3 10.7 15.5 25.0 14 14 A W E - 0 0 7 4,-1.8 -10,-2.9 1,-0.6 -9,-2.1 0.741 67.3 -23.9-113.5 -67.9 13.5 16.9 22.8 15 15 A T E > S-A 18 0A 23 3,-1.4 3,-2.8 -12,-0.3 -1,-0.6 -0.947 87.3 -71.2-139.1 161.4 13.1 20.7 23.0 16 16 A N T 3 S+ 0 0 155 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.327 125.8 22.5 -49.3 122.1 10.1 22.9 23.7 17 17 A G T 3 S+ 0 0 60 1,-0.1 2,-0.3 -2,-0.1 -1,-0.3 0.396 116.9 71.7 96.4 -4.2 7.9 22.6 20.6 18 18 A F E < +A 15 0A 41 -3,-2.8 -4,-1.8 4,-0.1 -3,-1.4 -0.982 52.3 130.1-145.1 136.0 9.3 19.2 19.5 19 19 A D E > -A 13 0A 54 -2,-0.3 3,-0.6 -6,-0.2 -6,-0.2 -0.750 68.9 -59.9-155.5-155.9 9.0 15.7 20.8 20 20 A I T 3 S+ 0 0 12 -8,-1.7 4,-0.1 1,-0.2 -7,-0.1 0.653 129.4 51.7 -77.6 -14.3 8.3 12.0 20.0 21 21 A N T 3 S+ 0 0 109 -9,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.555 82.6 113.2 -94.5 -11.0 4.8 13.0 18.8 22 22 A T S < S- 0 0 22 -3,-0.6 2,-1.0 1,-0.1 320,-0.1 -0.443 76.2-119.7 -67.1 128.6 5.9 15.7 16.5 23 23 A D >> - 0 0 42 -2,-0.2 4,-2.0 1,-0.2 3,-1.9 -0.569 26.8-166.5 -71.1 102.6 5.2 14.9 12.8 24 24 A Y T 34 S+ 0 0 3 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.653 81.4 66.3 -71.6 -14.7 8.8 14.9 11.5 25 25 A E T 34 S+ 0 0 35 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.398 116.8 24.4 -86.0 5.4 7.6 15.0 7.9 26 26 A V T <4 S+ 0 0 108 -3,-1.9 2,-0.6 1,-0.3 -2,-0.2 0.596 117.9 47.0-127.2 -58.2 6.2 18.4 8.5 27 27 A S < - 0 0 52 -4,-2.0 -1,-0.3 104,-0.0 -5,-0.0 -0.819 61.7-176.1 -98.5 123.5 7.8 20.4 11.3 28 28 A T - 0 0 34 -2,-0.6 2,-0.2 -3,-0.1 103,-0.1 -0.976 32.5-111.1-120.0 128.3 11.6 20.5 11.4 29 29 A P - 0 0 6 0, 0.0 2,-1.5 0, 0.0 -12,-0.0 -0.370 27.3-136.3 -55.0 116.4 13.6 22.1 14.2 30 30 A N + 0 0 142 -2,-0.2 2,-0.5 2,-0.1 46,-0.1 -0.634 34.8 167.8 -78.8 90.6 15.3 25.2 12.8 31 31 A T - 0 0 8 -2,-1.5 2,-0.2 44,-0.2 46,-0.2 -0.905 35.6-140.6-102.5 132.4 18.8 25.0 14.3 32 32 A G + 0 0 88 -2,-0.5 2,-0.4 44,-0.1 44,-0.1 0.009 66.8 115.2 -83.6 31.5 21.3 27.4 12.8 33 33 A R - 0 0 111 -2,-0.2 44,-2.3 -32,-0.1 2,-0.4 -0.848 43.8-172.1-106.7 136.4 23.9 24.7 12.9 34 34 A T E -b 77 0B 75 -2,-0.4 2,-0.4 42,-0.2 44,-0.2 -0.939 10.5-154.6-115.5 145.9 25.7 23.0 10.0 35 35 A V E -b 78 0B 9 42,-3.1 44,-2.6 -2,-0.4 2,-0.4 -0.991 4.6-156.7-124.9 134.5 28.0 20.0 10.4 36 36 A A E -b 79 0B 73 -2,-0.4 2,-0.3 42,-0.2 44,-0.2 -0.845 10.1-178.4-109.7 142.8 30.8 19.0 8.1 37 37 A Y E -b 80 0B 64 42,-2.5 44,-2.9 -2,-0.4 2,-0.4 -0.974 14.2-147.9-132.8 149.4 32.4 15.5 7.6 38 38 A Q E -b 81 0B 107 -2,-0.3 2,-0.4 42,-0.2 44,-0.2 -0.985 11.4-174.1-119.8 133.4 35.3 14.3 5.4 39 39 A L E -b 82 0B 2 42,-3.5 44,-3.0 -2,-0.4 2,-0.5 -0.981 4.2-167.3-128.2 121.1 35.4 10.8 4.0 40 40 A T E -b 83 0B 35 -2,-0.4 22,-2.7 42,-0.2 2,-0.6 -0.915 8.7-150.2-115.6 119.1 38.5 9.5 2.1 41 41 A L E +bC 84 61B 0 42,-3.0 44,-1.3 -2,-0.5 2,-0.3 -0.778 19.0 175.7 -96.6 118.2 38.4 6.3 0.1 42 42 A T E - C 0 60B 44 18,-1.8 18,-1.8 -2,-0.6 2,-0.4 -0.778 20.7-136.5-112.8 163.3 41.6 4.3 -0.3 43 43 A E E - C 0 59B 26 42,-0.4 2,-0.4 -2,-0.3 16,-0.2 -0.961 15.6-168.8-122.5 136.8 42.3 1.0 -2.0 44 44 A K E - C 0 58B 57 14,-2.7 14,-1.2 -2,-0.4 3,-0.4 -0.953 3.9-161.1-134.6 117.5 44.4 -1.8 -0.6 45 45 A E E S+ C 0 57B 78 -2,-0.4 12,-0.3 1,-0.2 11,-0.2 -0.653 76.3 10.9 -92.3 148.1 45.6 -4.9 -2.3 46 46 A N E S+ 0 0 123 10,-1.1 2,-0.3 -2,-0.3 10,-0.2 0.947 91.4 165.7 51.1 58.6 46.9 -8.0 -0.5 47 47 A W E - C 0 55B 64 8,-2.8 8,-3.7 -3,-0.4 2,-0.8 -0.733 41.6-120.9-112.0 150.8 45.6 -6.8 2.8 48 48 A I E - C 0 54B 99 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.823 36.7-155.6 -97.0 109.9 45.1 -8.5 6.2 49 49 A G > - 0 0 7 4,-1.9 3,-2.5 -2,-0.8 164,-0.1 -0.031 36.0 -74.0 -82.4-179.0 41.4 -8.2 7.2 50 50 A P T 3 S+ 0 0 29 0, 0.0 155,-0.3 0, 0.0 157,-0.2 0.776 129.3 43.9 -44.1 -40.8 39.6 -8.4 10.6 51 51 A D T 3 S- 0 0 0 2,-0.2 161,-0.2 155,-0.2 159,-0.1 0.191 117.6-103.5 -98.9 18.6 40.0 -12.2 10.9 52 52 A G S < S+ 0 0 44 -3,-2.5 2,-0.3 1,-0.3 154,-0.0 0.339 80.6 129.7 82.0 -6.5 43.6 -12.5 9.9 53 53 A V - 0 0 44 1,-0.1 -4,-1.9 -5,-0.1 -1,-0.3 -0.626 65.3-104.8 -88.2 139.6 42.8 -13.8 6.4 54 54 A L E -C 48 0B 78 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.390 29.0-160.2 -64.8 126.1 44.3 -12.3 3.3 55 55 A K E -C 47 0B 8 -8,-3.7 -8,-2.8 -2,-0.2 3,-0.1 -0.945 13.2-147.8-104.0 125.5 42.0 -10.0 1.3 56 56 A N E S- 0 0 57 122,-0.5 -10,-1.1 -2,-0.5 2,-0.3 0.739 81.5 -7.7 -65.0 -18.9 43.1 -9.5 -2.3 57 57 A V E +C 45 0B 16 -12,-0.3 2,-0.3 -10,-0.1 -12,-0.2 -0.931 61.3 177.6-172.1 146.9 41.6 -6.1 -2.2 58 58 A V E -C 44 0B 3 -14,-1.2 -14,-2.7 -2,-0.3 2,-0.5 -0.974 20.0-141.9-151.8 157.8 39.4 -3.8 -0.0 59 59 A M E -C 43 0B 6 89,-3.1 2,-0.4 -2,-0.3 -16,-0.2 -0.972 26.0-160.4-130.9 114.9 38.2 -0.2 -0.3 60 60 A L E -C 42 0B 0 -18,-1.8 -18,-1.8 -2,-0.5 2,-0.9 -0.781 21.5-137.6-112.4 136.7 38.1 1.7 3.0 61 61 A V E > S-CD 41 64B 1 88,-0.8 3,-0.7 3,-0.5 -20,-0.2 -0.816 96.0 -14.4 -85.5 105.9 36.4 4.8 4.3 62 62 A N T 3 S- 0 0 57 -22,-2.7 -1,-0.2 -2,-0.9 -21,-0.1 0.908 120.9 -63.4 65.4 47.2 39.1 6.6 6.3 63 63 A D T 3 S+ 0 0 105 -23,-0.5 2,-0.3 -3,-0.5 -1,-0.2 0.448 112.6 102.5 66.8 1.7 41.6 3.8 6.5 64 64 A K B < S-D 61 0B 152 -3,-0.7 -3,-0.5 85,-0.1 -1,-0.2 -0.781 83.6-116.0-112.5 161.6 39.4 1.6 8.6 65 65 A I S S+ 0 0 27 -2,-0.3 2,-0.4 138,-0.2 138,-0.1 0.621 106.7 40.5 -69.1 -9.5 37.3 -1.5 7.5 66 66 A I S S- 0 0 24 -5,-0.2 86,-0.2 137,-0.1 -1,-0.1 -0.998 89.1-118.8-141.8 135.5 34.3 0.6 8.5 67 67 A G - 0 0 5 84,-2.3 86,-0.3 -2,-0.4 -5,-0.1 -0.173 37.0 -98.0 -66.9 160.9 33.5 4.3 7.9 68 68 A P - 0 0 52 0, 0.0 85,-0.9 0, 0.0 2,-0.5 -0.111 44.3 -91.7 -69.3 177.3 32.9 6.7 10.7 69 69 A T E -f 153 0C 40 83,-0.2 2,-1.1 68,-0.0 85,-0.2 -0.795 23.8-137.4 -95.5 130.2 29.5 7.8 11.9 70 70 A I E -f 154 0C 2 83,-2.3 85,-2.2 -2,-0.5 2,-0.3 -0.779 36.4-175.1 -85.5 103.6 27.8 10.8 10.4 71 71 A R E +f 155 0C 114 -2,-1.1 2,-0.3 83,-0.2 85,-0.2 -0.731 18.1 127.4-107.2 151.3 26.4 12.4 13.6 72 72 A A E -f 156 0C 3 83,-1.3 85,-2.5 -2,-0.3 2,-0.3 -0.937 50.2 -89.9 176.8 167.7 24.2 15.4 14.1 73 73 A N E > -f 157 0C 25 -2,-0.3 3,-2.5 83,-0.3 57,-0.2 -0.720 54.0 -81.9 -98.3 149.8 21.0 16.6 15.7 74 74 A W T 3 S+ 0 0 1 83,-2.7 57,-0.1 -2,-0.3 59,-0.1 -0.266 120.8 21.2 -42.8 114.1 17.5 16.5 14.2 75 75 A G T 3 S+ 0 0 0 55,-1.7 -1,-0.3 1,-0.4 -44,-0.2 -0.041 90.0 124.9 114.2 -30.6 17.4 19.7 12.1 76 76 A D < - 0 0 0 -3,-2.5 54,-2.3 53,-0.1 -1,-0.4 -0.215 59.6-121.2 -61.7 152.6 21.1 20.4 11.6 77 77 A N E -bE 34 129B 60 -44,-2.3 -42,-3.1 52,-0.2 2,-0.4 -0.716 27.8-152.5 -94.1 152.3 22.4 20.8 8.1 78 78 A I E -bE 35 128B 3 50,-2.5 50,-2.3 -2,-0.3 2,-0.4 -0.978 17.6-175.0-136.2 132.5 25.2 18.4 6.9 79 79 A E E -bE 36 127B 69 -44,-2.6 -42,-2.5 -2,-0.4 2,-0.5 -0.976 10.3-173.7-127.7 117.4 28.0 18.6 4.3 80 80 A V E -bE 37 126B 0 46,-2.7 46,-2.3 -2,-0.4 2,-0.7 -0.951 12.1-151.4-117.5 119.4 30.0 15.5 3.7 81 81 A T E -bE 38 125B 22 -44,-2.9 -42,-3.5 -2,-0.5 2,-0.6 -0.780 8.6-163.6 -92.7 113.2 33.1 15.6 1.5 82 82 A V E -bE 39 124B 0 42,-2.4 42,-1.2 -2,-0.7 2,-0.6 -0.881 2.4-166.2 -98.8 118.4 33.8 12.3 -0.3 83 83 A I E -bE 40 123B 11 -44,-3.0 -42,-3.0 -2,-0.6 2,-1.1 -0.931 8.2-152.7-107.6 114.5 37.3 12.1 -1.7 84 84 A N E +bE 41 122B 0 38,-2.8 37,-2.5 -2,-0.6 38,-0.8 -0.713 29.7 158.1 -94.4 92.1 37.7 9.2 -4.1 85 85 A N + 0 0 73 -44,-1.3 -42,-0.4 -2,-1.1 -1,-0.1 0.074 29.8 135.6 -98.6 23.5 41.3 8.1 -4.0 86 86 A L - 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