==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-DEC-12 3ZDW . COMPND 2 MOLECULE: COTA LACCASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.J.ENGUITA,D.MARCAL,R.GRENHA,P.F.LINDLEY,M.A.CARRONDO . 502 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20117.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 314 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.4 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 1 0 1 1 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 . 4 0 1 1 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 0 PARALLEL BRIDGES PER LADDER . 8 2 4 5 3 4 1 1 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 . 1 2 1 2 2 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 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 2 A T 0 0 159 0, 0.0 3,-0.1 0, 0.0 224,-0.0 0.000 360.0 360.0 360.0 165.0 17.9 5.0 -1.9 2 3 A L - 0 0 31 1,-0.1 2,-0.4 38,-0.0 231,-0.0 -0.229 360.0-111.3 -70.2 135.5 20.9 3.4 -3.6 3 4 A E - 0 0 106 1,-0.1 3,-0.5 2,-0.0 37,-0.1 -0.540 37.5-122.7 -68.0 123.6 21.1 -0.3 -4.0 4 5 A K S S+ 0 0 47 -2,-0.4 229,-0.1 1,-0.2 -1,-0.1 -0.264 78.0 11.9 -70.4 142.1 23.8 -1.8 -1.8 5 6 A F S S+ 0 0 22 228,-2.4 -1,-0.2 1,-0.1 228,-0.1 0.851 80.4 118.3 67.7 46.4 26.6 -3.9 -3.0 6 7 A V + 0 0 32 -3,-0.5 2,-0.4 227,-0.4 -2,-0.1 0.500 60.3 65.4-119.1 -6.4 26.5 -3.5 -6.8 7 8 A D S S- 0 0 24 226,-0.4 228,-2.0 225,-0.3 2,-0.1 -0.942 82.9-116.8-115.5 137.5 29.9 -1.9 -7.5 8 9 A A B -a 235 0A 54 -2,-0.4 228,-0.2 226,-0.2 -2,-0.1 -0.400 39.5 -99.5 -59.4 142.6 33.2 -3.6 -7.0 9 10 A L - 0 0 11 226,-2.5 -1,-0.1 -2,-0.1 220,-0.1 -0.483 37.3-130.2 -62.3 116.5 35.6 -1.9 -4.5 10 11 A P - 0 0 46 0, 0.0 221,-0.1 0, 0.0 -1,-0.1 -0.448 12.8-153.3 -67.5 143.4 38.1 0.3 -6.3 11 12 A I - 0 0 87 -2,-0.1 175,-0.1 175,-0.1 173,-0.0 -0.958 23.6-128.5-114.5 106.0 41.7 -0.4 -5.3 12 13 A P - 0 0 24 0, 0.0 2,-0.1 0, 0.0 44,-0.1 -0.254 24.4-109.4 -60.3 140.4 43.6 2.8 -5.9 13 14 A D - 0 0 126 1,-0.1 45,-1.7 3,-0.0 2,-0.4 -0.415 30.4-107.8 -61.8 147.9 46.7 2.5 -7.9 14 15 A T B -f 58 0B 65 43,-0.2 45,-0.2 -2,-0.1 2,-0.1 -0.641 40.3-111.3 -79.1 122.7 50.0 3.1 -6.3 15 16 A L - 0 0 22 43,-2.7 45,-0.4 -2,-0.4 -1,-0.1 -0.420 26.3-140.1 -52.1 131.5 51.5 6.4 -7.5 16 17 A K - 0 0 177 -2,-0.1 -1,-0.0 43,-0.1 -3,-0.0 -0.838 22.1-115.0 -94.9 131.6 54.6 6.1 -9.6 17 18 A P - 0 0 41 0, 0.0 10,-0.3 0, 0.0 3,-0.2 -0.313 5.2-140.3 -63.7 150.0 57.4 8.5 -9.0 18 19 A V S S+ 0 0 88 8,-2.3 2,-0.3 1,-0.3 9,-0.2 0.835 93.2 6.6 -75.2 -39.3 58.5 11.1 -11.6 19 20 A Q E S+G 26 0C 106 7,-1.7 7,-3.2 2,-0.0 2,-0.4 -0.994 72.2 179.3-143.2 142.3 62.1 10.5 -10.7 20 21 A Q E +G 25 0C 112 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.975 9.5 154.7-145.2 132.8 63.6 8.0 -8.4 21 22 A S E > -G 24 0C 53 3,-2.9 3,-0.5 -2,-0.4 -2,-0.0 -0.858 59.6 -93.5-137.0 175.9 67.1 7.1 -7.4 22 23 A K T 3 S+ 0 0 189 -2,-0.3 44,-0.2 1,-0.2 3,-0.1 0.768 126.1 46.4 -58.6 -26.5 68.6 5.5 -4.3 23 24 A E T 3 S+ 0 0 119 1,-0.3 2,-0.3 42,-0.1 -1,-0.2 0.692 122.0 12.7 -88.9 -20.3 69.1 9.0 -2.8 24 25 A K E < -G 21 0C 95 -3,-0.5 -3,-2.9 41,-0.1 2,-0.4 -0.981 50.4-155.4-165.2 136.2 65.7 10.5 -3.6 25 26 A T E -Gh 20 67C 2 41,-2.6 43,-2.7 -2,-0.3 2,-0.5 -0.989 18.7-166.5-119.1 128.0 62.2 9.9 -4.7 26 27 A Y E +Gh 19 68C 38 -7,-3.2 -8,-2.3 -2,-0.4 -7,-1.7 -0.961 6.8 180.0-125.1 126.8 60.2 12.6 -6.4 27 28 A Y E - h 0 69C 8 41,-2.9 43,-2.4 -2,-0.5 2,-0.4 -0.831 14.7-152.7-120.0 155.3 56.5 12.7 -7.0 28 29 A E E + h 0 70C 72 -2,-0.3 2,-0.4 41,-0.2 43,-0.2 -1.000 13.6 179.5-131.3 127.8 54.1 15.1 -8.6 29 30 A V E - h 0 71C 0 41,-2.0 43,-2.9 -2,-0.4 2,-0.5 -0.980 7.8-163.9-133.5 119.9 50.4 15.3 -7.6 30 31 A T E - h 0 72C 28 -2,-0.4 21,-2.8 41,-0.2 22,-0.5 -0.902 17.1-133.6-109.5 129.1 48.0 17.8 -9.1 31 32 A M E +Ih 50 73C 0 41,-3.1 43,-1.6 -2,-0.5 2,-0.4 -0.628 36.2 176.0 -78.4 123.5 44.6 18.6 -7.6 32 33 A E E -I 49 0C 67 17,-3.0 17,-2.8 -2,-0.4 2,-0.4 -0.975 37.9-120.5-135.4 141.9 41.9 18.6 -10.4 33 34 A E E +I 48 0C 67 41,-0.4 2,-0.2 -2,-0.4 15,-0.2 -0.729 51.9 158.5 -71.6 131.8 38.2 19.0 -10.8 34 35 A C E -I 47 0C 23 13,-2.9 13,-3.8 -2,-0.4 2,-0.4 -0.859 37.3-124.1-148.6 171.0 37.1 15.7 -12.3 35 36 A T E +I 46 0C 89 11,-0.3 2,-0.3 -2,-0.2 11,-0.2 -0.982 29.6 170.1-125.8 134.6 33.9 13.6 -12.6 36 37 A H E -I 45 0C 63 9,-2.2 9,-3.0 -2,-0.4 2,-0.6 -0.995 36.9-113.7-141.1 148.7 33.6 10.0 -11.4 37 38 A Q - 0 0 85 -2,-0.3 3,-0.1 7,-0.3 -2,-0.0 -0.698 24.4-173.6 -81.7 125.4 30.7 7.7 -11.0 38 39 A L S S+ 0 0 0 -2,-0.6 194,-3.0 5,-0.4 2,-0.3 0.592 71.3 17.8 -93.9 -16.6 30.2 6.9 -7.3 39 40 A H S > S- 0 0 0 3,-0.2 3,-2.5 192,-0.2 -1,-0.2 -0.973 78.6-112.4-154.0 141.7 27.4 4.2 -7.8 40 41 A R T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.795 117.2 47.6 -38.8 -35.7 26.1 2.1 -10.8 41 42 A D T 3 S+ 0 0 85 -38,-0.1 -1,-0.3 -3,-0.1 -4,-0.0 0.213 97.6 84.9-102.8 17.1 22.9 4.0 -10.8 42 43 A L S < S- 0 0 15 -3,-2.5 -3,-0.2 155,-0.1 3,-0.1 -0.900 75.7-118.6-116.0 149.8 24.2 7.6 -10.6 43 44 A P - 0 0 63 0, 0.0 -5,-0.4 0, 0.0 -4,-0.1 -0.442 61.1 -70.8 -69.1 159.2 25.3 10.1 -13.2 44 45 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 -0.180 50.2-131.1 -56.4 139.3 29.0 11.1 -12.7 45 46 A T E -I 36 0C 0 -9,-3.0 -9,-2.2 -3,-0.1 2,-0.4 -0.820 13.4-124.9 -97.6 128.8 29.8 13.3 -9.7 46 47 A R E +I 35 0C 111 -2,-0.4 153,-0.4 -11,-0.2 2,-0.3 -0.672 46.6 165.6 -68.3 124.5 31.9 16.4 -10.0 47 48 A L E -I 34 0C 0 -13,-3.8 -13,-2.9 -2,-0.4 2,-0.5 -0.897 41.5-117.8-138.5 167.7 34.7 16.1 -7.5 48 49 A W E +I 33 0C 0 111,-2.4 2,-0.4 -2,-0.3 -15,-0.2 -0.956 43.3 178.3-112.2 122.9 38.1 17.4 -6.5 49 50 A G E > -I 32 0C 0 -17,-2.8 -17,-3.0 -2,-0.5 3,-1.8 -0.969 39.3-114.8-134.5 140.9 40.8 14.9 -6.8 50 51 A Y E > S-IJ 31 53C 0 3,-0.8 3,-2.0 110,-0.4 -19,-0.2 -0.618 114.2 -5.4 -65.9 123.3 44.5 14.3 -6.3 51 52 A N T 3 S- 0 0 52 -21,-2.8 -1,-0.3 -2,-0.4 -20,-0.2 0.740 131.2 -64.9 48.4 30.6 45.6 13.6 -9.9 52 53 A G T < S+ 0 0 12 -3,-1.8 2,-0.3 -22,-0.5 -1,-0.3 0.705 110.4 122.3 74.7 18.1 41.9 13.6 -10.8 53 54 A L B < -J 50 0C 70 -3,-2.0 -3,-0.8 -19,-0.1 -1,-0.3 -0.890 58.8-129.2-119.1 141.7 41.3 10.6 -8.6 54 55 A F S S+ 0 0 18 -2,-0.3 2,-0.2 -5,-0.2 109,-0.1 -0.927 104.5 23.3-129.8 114.4 39.0 10.0 -5.7 55 56 A P S S- 0 0 8 0, 0.0 108,-0.2 0, 0.0 3,-0.1 0.590 112.2-115.7 -63.7 178.1 40.5 8.8 -3.4 56 57 A G - 0 0 0 106,-3.8 108,-0.4 -2,-0.2 -5,-0.1 -0.216 46.9 -68.4 -78.0 174.6 43.8 10.1 -4.5 57 58 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.318 51.6-111.3 -64.0 148.6 46.5 7.6 -5.5 58 59 A T B -f 14 0B 6 -45,-1.7 -43,-2.7 105,-0.1 2,-0.5 -0.630 30.2-151.1 -79.3 128.4 48.0 5.5 -2.8 59 60 A I E -l 165 0D 0 105,-2.2 107,-2.9 -2,-0.4 2,-0.5 -0.909 8.1-162.0-106.5 135.5 51.6 6.4 -2.1 60 61 A E E +l 166 0D 75 -2,-0.5 2,-0.3 -45,-0.4 107,-0.2 -0.960 15.3 166.2-123.5 121.5 54.0 3.7 -0.9 61 62 A V E -l 167 0D 2 105,-2.7 107,-3.1 -2,-0.5 2,-0.3 -0.847 29.8-122.8-131.3 163.7 57.3 4.4 0.8 62 63 A K E > -l 168 0D 122 -2,-0.3 3,-2.2 105,-0.2 107,-0.2 -0.737 46.8 -87.4 -97.7 154.1 60.0 2.7 2.8 63 64 A R T 3 S+ 0 0 91 105,-2.0 74,-0.2 -2,-0.3 73,-0.1 -0.393 116.7 11.2 -57.6 136.0 61.0 3.8 6.2 64 65 A N T 3 S+ 0 0 93 72,-3.0 -1,-0.3 1,-0.3 2,-0.3 0.534 87.6 147.9 68.0 9.5 63.8 6.5 5.8 65 66 A E < - 0 0 26 -3,-2.2 2,-1.2 71,-0.3 -1,-0.3 -0.601 54.2-123.6 -75.7 138.3 63.1 6.8 2.0 66 67 A N - 0 0 54 -2,-0.3 -41,-2.6 -44,-0.2 2,-0.3 -0.742 41.8-175.7 -92.4 95.6 63.9 10.4 1.1 67 68 A V E -hK 25 134C 0 67,-2.4 67,-2.9 -2,-1.2 2,-0.4 -0.791 19.7-175.1-105.9 144.5 60.7 11.5 -0.5 68 69 A Y E -hK 26 133C 55 -43,-2.7 -41,-2.9 -2,-0.3 2,-0.4 -0.991 2.5-174.7-128.3 138.0 59.5 14.7 -2.2 69 70 A V E -hK 27 132C 0 63,-2.2 63,-2.7 -2,-0.4 2,-1.0 -0.983 15.4-153.1-134.3 124.8 56.0 15.5 -3.4 70 71 A K E -hK 28 131C 47 -43,-2.4 -41,-2.0 -2,-0.4 2,-0.5 -0.856 17.1-161.4 -92.2 102.8 55.1 18.6 -5.3 71 72 A W E -h 29 0C 3 -2,-1.0 2,-0.3 59,-0.8 -41,-0.2 -0.809 13.5-168.3 -88.9 123.3 51.5 19.1 -4.5 72 73 A M E -h 30 0C 35 -43,-2.9 -41,-3.1 -2,-0.5 2,-0.6 -0.882 19.6-139.0-120.5 143.2 50.0 21.4 -7.1 73 74 A N E +h 31 0C 2 -2,-0.3 46,-2.0 44,-0.3 47,-0.2 -0.914 33.5 154.4 -99.3 118.0 46.7 23.2 -7.3 74 75 A N + 0 0 71 -43,-1.6 -41,-0.4 -2,-0.6 -1,-0.1 -0.110 35.8 128.0-130.7 35.7 45.1 23.1 -10.7 75 76 A L - 0 0 1 -43,-0.2 43,-0.1 1,-0.2 -43,-0.1 -0.341 68.2 -82.3 -83.4 165.2 41.6 23.5 -9.5 76 77 A P - 0 0 37 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 -0.236 37.7-115.4 -61.7 162.6 39.0 26.1 -10.6 77 78 A S S S+ 0 0 86 -3,-0.1 16,-0.5 15,-0.1 15,-0.4 0.513 98.3 54.7 -86.7 -8.6 39.2 29.5 -9.2 78 79 A T S S- 0 0 92 14,-0.1 2,-0.1 13,-0.1 0, 0.0 -0.976 82.3-125.9-126.0 144.2 35.7 29.1 -7.5 79 80 A H - 0 0 17 -2,-0.4 4,-0.1 2,-0.1 -2,-0.1 -0.323 3.6-149.2 -76.2 167.0 34.6 26.4 -5.2 80 81 A F S S+ 0 0 46 2,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.400 75.5 74.0-114.8 -0.6 31.5 24.4 -5.8 81 82 A L S S- 0 0 11 119,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.721 99.5 -81.1-108.0 165.5 30.5 23.8 -2.2 82 83 A P - 0 0 30 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.439 43.2-157.6 -76.4 123.0 29.1 26.4 0.1 83 84 A I - 0 0 20 -2,-0.4 2,-0.7 -4,-0.1 69,-0.1 -0.824 6.9-149.5 -98.5 128.0 31.6 28.8 1.6 84 85 A D > - 0 0 7 -2,-0.5 3,-0.7 67,-0.2 4,-0.2 -0.862 8.7-168.0 -92.8 113.0 30.8 30.6 4.9 85 86 A H T 3 S+ 0 0 137 -2,-0.7 3,-0.3 130,-0.2 -1,-0.1 0.500 73.8 68.5 -81.1 -1.9 32.7 33.9 4.7 86 87 A T T 3 S+ 0 0 53 129,-0.3 -1,-0.2 1,-0.2 130,-0.0 0.456 81.5 71.1-101.8 -2.2 32.2 34.9 8.3 87 88 A I < 0 0 13 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.587 360.0 360.0 -87.3 -14.9 34.3 32.3 10.1 88 89 A H 0 0 129 -3,-0.3 -1,-0.1 -4,-0.2 405,-0.0 -0.781 360.0 360.0-110.9 360.0 37.7 33.8 8.9 89 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 90 97 A E 0 0 146 0, 0.0 4,-0.1 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 125.8 42.6 36.5 -0.9 91 98 A P - 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