==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-AUG-00 1FOB . COMPND 2 MOLECULE: BETA-1,4-GALACTANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR C.RYTTERSGAARD,S.LARSEN . 334 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 17 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 2 0 1 0 0 0 0 2 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 3 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 0 PARALLEL BRIDGES PER LADDER . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 93 0, 0.0 333,-0.1 0, 0.0 332,-0.1 0.000 360.0 360.0 360.0 155.4 30.6 36.8 102.3 2 2 A L - 0 0 4 332,-2.3 291,-0.2 1,-0.1 290,-0.1 -0.309 360.0-116.0 -69.6 156.9 28.4 35.1 104.9 3 3 A T S S+ 0 0 76 289,-0.6 2,-0.4 288,-0.3 290,-0.2 0.875 104.4 29.2 -60.2 -36.9 28.3 31.3 105.1 4 4 A Y E +a 293 0A 8 288,-2.3 290,-1.7 2,-0.0 2,-0.5 -0.991 55.9 175.4-131.4 129.9 24.6 31.5 104.1 5 5 A R E +a 294 0A 47 -2,-0.4 37,-1.9 288,-0.2 38,-1.0 -0.907 37.5 160.8-127.3 95.1 22.8 34.1 102.1 6 6 A G E -ab 295 43A 0 288,-2.7 290,-2.4 -2,-0.5 2,-0.3 -0.598 34.8-155.5-121.3-179.0 19.3 32.7 101.8 7 7 A A E -ab 296 44A 0 36,-1.3 38,-2.1 288,-0.3 2,-0.8 -0.985 20.7-132.6-149.9 145.5 15.7 33.2 101.2 8 8 A D E +ab 297 45A 0 288,-2.1 290,-1.5 -2,-0.3 292,-0.3 -0.909 32.6 164.4-102.3 106.4 12.5 31.4 102.2 9 9 A I > + 0 0 2 -2,-0.8 3,-2.6 36,-0.7 4,-0.3 -0.135 20.1 139.5-114.8 36.4 10.5 31.1 99.0 10 10 A S T 3 + 0 0 0 35,-0.4 3,-0.5 1,-0.3 4,-0.3 0.811 67.9 60.7 -47.8 -36.6 8.1 28.4 100.4 11 11 A S T >> S+ 0 0 2 -3,-0.2 4,-1.9 1,-0.2 3,-0.8 0.621 76.8 99.8 -69.7 -13.5 5.2 30.1 98.6 12 12 A L H X> S+ 0 0 0 -3,-2.6 4,-3.0 1,-0.3 3,-0.5 0.864 80.1 45.8 -40.8 -61.5 6.8 29.6 95.1 13 13 A L H 3> S+ 0 0 3 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.3 0.833 112.3 53.9 -57.5 -31.6 4.9 26.6 94.0 14 14 A L H <> S+ 0 0 49 -3,-0.8 4,-1.1 -4,-0.3 -1,-0.2 0.872 113.1 42.2 -70.3 -36.0 1.6 28.2 95.1 15 15 A L H <<>S+ 0 0 2 -4,-1.9 5,-2.7 -3,-0.5 3,-0.2 0.934 113.1 50.8 -76.1 -47.3 2.3 31.4 93.1 16 16 A E H ><5S+ 0 0 54 -4,-3.0 3,-2.0 1,-0.3 -2,-0.2 0.927 109.9 52.6 -55.1 -44.7 3.6 29.6 90.0 17 17 A D H 3<5S+ 0 0 131 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.863 103.5 56.4 -59.1 -37.0 0.5 27.4 90.1 18 18 A E T 3<5S- 0 0 145 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.285 133.1 -94.0 -78.7 12.2 -1.6 30.6 90.2 19 19 A G T < 5S+ 0 0 63 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.434 77.1 148.7 92.6 -0.4 0.1 31.6 87.0 20 20 A Y < + 0 0 78 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.3 -0.354 15.9 169.4 -72.3 148.9 2.9 33.7 88.5 21 21 A S - 0 0 53 -2,-0.1 2,-0.3 10,-0.1 10,-0.1 -0.968 18.6-138.5-151.8 155.3 6.4 34.0 86.9 22 22 A Y - 0 0 4 8,-0.4 8,-2.5 -2,-0.3 2,-0.4 -0.787 3.4-142.6-121.3 165.3 9.4 36.2 87.6 23 23 A K B -Ij 29 323B 43 299,-1.8 301,-2.2 6,-0.3 6,-0.3 -0.985 17.2-127.2-129.4 137.1 12.0 38.1 85.6 24 24 A N > - 0 0 17 4,-2.3 3,-2.2 -2,-0.4 -1,-0.0 0.010 49.3 -81.1 -66.9-178.3 15.7 38.7 86.2 25 25 A L T 3 S+ 0 0 62 1,-0.3 -1,-0.1 2,-0.1 301,-0.1 0.545 131.2 59.9 -65.9 -6.0 17.2 42.1 86.3 26 26 A N T 3 S- 0 0 127 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.303 118.0-110.1-101.6 5.6 17.4 42.0 82.5 27 27 A G S < S+ 0 0 37 -3,-2.2 2,-0.6 1,-0.3 -2,-0.1 0.712 73.7 140.4 74.5 17.5 13.6 41.6 82.2 28 28 A Q - 0 0 114 -4,-0.0 -4,-2.3 1,-0.0 -1,-0.3 -0.855 56.5-120.8 -97.0 122.8 14.0 38.0 81.0 29 29 A T B +I 23 0B 95 -2,-0.6 -6,-0.3 -6,-0.3 2,-0.3 -0.274 48.5 154.9 -56.8 147.3 11.4 35.6 82.4 30 30 A Q - 0 0 65 -8,-2.5 -8,-0.4 -6,-0.0 5,-0.1 -0.898 50.9 -77.9-176.6 143.3 13.2 32.8 84.4 31 31 A A >> - 0 0 37 -2,-0.3 4,-1.9 1,-0.1 3,-1.1 -0.219 43.1-130.0 -49.6 126.5 12.6 30.3 87.2 32 32 A L H 3> S+ 0 0 4 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.838 104.9 56.0 -48.3 -44.7 12.9 32.2 90.5 33 33 A E H 3> S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.863 109.8 46.2 -60.7 -35.3 15.4 29.7 92.0 34 34 A T H <> S+ 0 0 39 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.835 110.2 53.5 -76.8 -30.4 17.7 30.2 89.1 35 35 A I H X S+ 0 0 8 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.913 114.3 42.6 -66.3 -42.7 17.3 34.0 89.3 36 36 A L H X>S+ 0 0 2 -4,-2.6 5,-1.9 -5,-0.2 4,-0.6 0.913 111.1 54.1 -69.1 -45.7 18.3 33.8 93.0 37 37 A A H ><5S+ 0 0 25 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.932 109.0 48.3 -55.6 -48.1 21.1 31.3 92.5 38 38 A D H 3<5S+ 0 0 125 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.741 106.4 59.1 -65.8 -23.6 22.8 33.5 89.9 39 39 A A H 3<5S- 0 0 18 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.570 127.2 -95.7 -82.4 -10.0 22.4 36.5 92.2 40 40 A G T <<5S+ 0 0 21 -3,-1.5 -3,-0.2 -4,-0.6 2,-0.2 0.284 75.6 142.5 116.1 -12.6 24.5 34.8 94.9 41 41 A I < + 0 0 4 -5,-1.9 -1,-0.4 1,-0.1 -35,-0.2 -0.462 21.6 177.7 -61.7 128.4 21.8 33.3 97.1 42 42 A N + 0 0 44 -37,-1.9 33,-2.5 1,-0.2 2,-0.3 0.343 55.3 45.3-119.5 7.2 23.2 29.9 98.2 43 43 A S E -bc 6 75A 0 -38,-1.0 -36,-1.3 31,-0.3 2,-0.4 -0.993 58.4-156.2-152.5 142.6 20.5 28.5 100.5 44 44 A I E -bc 7 76A 0 31,-2.0 33,-2.5 -2,-0.3 2,-0.4 -0.978 8.8-151.6-124.4 129.6 16.7 28.1 100.5 45 45 A R E -bc 8 77A 0 -38,-2.1 -36,-0.7 -2,-0.4 2,-0.4 -0.815 14.0-169.9 -98.5 135.1 14.5 27.8 103.6 46 46 A Q E - c 0 78A 0 31,-2.6 33,-3.2 -2,-0.4 2,-0.4 -0.990 17.9-134.2-130.8 128.1 11.2 25.9 103.2 47 47 A R E - c 0 79A 1 -2,-0.4 2,-0.5 31,-0.2 33,-0.2 -0.640 21.6-157.0 -82.0 133.3 8.4 25.7 105.8 48 48 A V E - c 0 80A 2 31,-2.9 33,-2.3 -2,-0.4 34,-0.6 -0.949 7.6-168.8-117.4 123.0 7.1 22.2 106.3 49 49 A W - 0 0 15 8,-2.8 10,-0.3 -2,-0.5 35,-0.2 -0.819 16.9-139.6-106.3 148.8 3.6 21.4 107.6 50 50 A V S S- 0 0 13 33,-2.6 9,-0.4 -2,-0.3 34,-0.2 0.996 81.8 -7.8 -73.6 -68.0 2.5 17.9 108.8 51 51 A N + 0 0 82 7,-0.1 2,-0.2 8,-0.0 -1,-0.2 -0.405 68.8 175.9-132.1 61.5 -1.0 17.3 107.6 52 52 A P > - 0 0 15 0, 0.0 3,-2.0 0, 0.0 33,-0.1 -0.481 32.7-133.9 -66.9 131.7 -2.6 20.4 106.1 53 53 A S T 3 S+ 0 0 140 1,-0.3 31,-0.0 -2,-0.2 0, 0.0 0.856 106.7 42.8 -53.0 -38.1 -6.1 19.6 104.8 54 54 A D T 3 S- 0 0 124 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.341 112.1-118.6 -93.4 7.8 -5.3 21.4 101.6 55 55 A G X + 0 0 21 -3,-2.0 3,-2.0 1,-0.2 6,-0.3 0.324 54.9 158.2 76.8 -8.2 -1.8 20.1 101.2 56 56 A S T 3 S- 0 0 15 1,-0.3 -1,-0.2 5,-0.1 -7,-0.1 -0.281 73.2 -7.6 -56.1 126.0 -0.0 23.5 101.4 57 57 A Y T 3 S+ 0 0 8 -47,-0.2 -8,-2.8 1,-0.1 -1,-0.3 0.691 98.0 142.9 61.8 23.3 3.6 23.1 102.4 58 58 A D <> - 0 0 37 -3,-2.0 4,-2.6 -10,-0.2 5,-0.2 -0.137 69.8 -82.2 -81.6-173.8 3.3 19.4 103.1 59 59 A L H > S+ 0 0 39 -9,-0.4 4,-1.8 -10,-0.3 5,-0.1 0.896 129.7 46.4 -58.6 -43.3 6.0 16.8 102.4 60 60 A D H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 111.6 52.3 -65.8 -43.1 5.1 16.3 98.7 61 61 A Y H > S+ 0 0 24 -6,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.938 112.3 46.2 -55.3 -49.2 4.9 20.1 98.2 62 62 A N H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.790 107.2 57.1 -67.3 -28.9 8.4 20.5 99.7 63 63 A L H X S+ 0 0 16 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.929 107.5 48.2 -67.4 -43.0 9.9 17.6 97.7 64 64 A E H X S+ 0 0 102 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.918 116.4 43.6 -61.6 -44.8 8.9 19.3 94.4 65 65 A L H X S+ 0 0 1 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.884 112.1 52.0 -69.9 -38.6 10.3 22.6 95.6 66 66 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.832 101.3 62.0 -68.2 -32.9 13.5 21.0 97.0 67 67 A K H X S+ 0 0 104 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.921 107.7 43.6 -57.5 -45.2 14.2 19.2 93.8 68 68 A R H X S+ 0 0 56 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.803 111.0 54.7 -70.9 -31.1 14.5 22.5 92.0 69 69 A V H <>S+ 0 0 1 -4,-1.4 5,-2.2 2,-0.2 -2,-0.2 0.916 109.4 47.0 -68.2 -43.7 16.6 24.0 94.8 70 70 A K H ><5S+ 0 0 91 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.921 109.8 54.6 -61.9 -44.9 19.1 21.2 94.6 71 71 A A H 3<5S+ 0 0 76 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.892 105.0 52.6 -56.3 -44.3 19.2 21.6 90.8 72 72 A A T 3<5S- 0 0 29 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.389 119.6-112.7 -75.3 3.3 20.1 25.3 91.1 73 73 A G T < 5S+ 0 0 65 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.795 71.3 132.6 72.0 31.2 22.9 24.3 93.4 74 74 A M < - 0 0 13 -5,-2.2 -31,-0.3 1,-0.1 -1,-0.2 -0.796 55.8-113.0-111.6 155.2 21.6 25.8 96.6 75 75 A S E -c 43 0A 28 -33,-2.5 -31,-2.0 -2,-0.3 2,-0.4 -0.310 29.5-121.6 -79.7 170.5 21.5 24.1 100.0 76 76 A L E -c 44 0A 6 51,-0.2 53,-2.2 -33,-0.2 54,-2.0 -0.961 21.0-173.9-122.2 132.4 18.3 23.2 101.7 77 77 A Y E -cd 45 130A 0 -33,-2.5 -31,-2.6 -2,-0.4 2,-0.6 -0.980 15.0-155.3-123.4 111.3 17.0 24.4 105.2 78 78 A L E -cd 46 131A 0 52,-2.9 54,-2.2 -2,-0.5 2,-0.9 -0.830 0.7-157.6 -94.0 122.3 13.8 22.7 106.2 79 79 A D E -cd 47 132A 0 -33,-3.2 -31,-2.9 -2,-0.6 2,-0.6 -0.831 10.5-158.8-100.3 93.2 11.8 24.6 108.7 80 80 A L E -cd 48 133A 0 52,-1.2 54,-0.9 -2,-0.9 -31,-0.1 -0.643 13.3-174.7 -77.4 114.8 9.6 22.1 110.5 81 81 A H - 0 0 6 -33,-2.3 54,-0.4 -2,-0.6 -1,-0.2 0.644 25.5-145.0 -82.1 -13.9 6.6 23.8 112.0 82 82 A L + 0 0 0 -34,-0.6 60,-0.3 1,-0.2 2,-0.3 0.919 69.0 84.3 47.8 51.3 5.5 20.5 113.6 83 83 A S S S- 0 0 1 -35,-0.3 -33,-2.6 11,-0.2 -1,-0.2 -0.942 90.2-111.7-166.0 167.3 1.9 21.5 113.1 84 84 A D S S+ 0 0 30 9,-0.4 2,-0.2 -2,-0.3 -35,-0.1 0.488 101.3 15.3 -88.5 -4.1 -0.7 21.3 110.3 85 85 A T S S- 0 0 61 8,-0.3 -35,-0.1 -4,-0.1 -37,-0.0 -0.817 113.0 -27.3-151.0-172.6 -0.6 25.1 110.0 86 86 A W - 0 0 96 -2,-0.2 2,-0.5 1,-0.1 7,-0.3 -0.183 55.8-158.3 -49.5 126.7 1.5 28.2 111.0 87 87 A A + 0 0 2 5,-0.1 5,-0.2 -4,-0.1 -1,-0.1 -0.936 29.9 129.5-113.3 132.2 3.4 27.7 114.2 88 88 A D B > S-K 91 0C 46 3,-2.4 3,-1.7 -2,-0.5 48,-0.1 -0.921 71.9 -67.4-161.0-178.8 4.7 30.6 116.3 89 89 A P T 3 S+ 0 0 32 0, 0.0 3,-0.2 0, 0.0 47,-0.0 0.708 131.9 44.4 -55.5 -21.4 4.7 31.8 120.0 90 90 A S T 3 S+ 0 0 79 1,-0.3 2,-0.3 0, 0.0 -3,-0.0 0.514 122.7 32.3-102.2 -4.8 0.9 32.3 119.9 91 91 A D B < +K 88 0C 83 -3,-1.7 -3,-2.4 2,-0.0 -1,-0.3 -0.801 47.4 156.4-156.8 110.6 0.0 29.1 118.2 92 92 A Q - 0 0 0 -2,-0.3 51,-2.3 -5,-0.2 2,-0.4 -0.583 25.3-177.4-127.7 64.7 1.8 25.7 118.4 93 93 A T B -l 143 0D 77 -7,-0.3 -9,-0.4 49,-0.2 -8,-0.3 -0.542 27.4-122.5 -72.7 121.1 -1.1 23.4 117.4 94 94 A T - 0 0 11 49,-0.8 -11,-0.2 -2,-0.4 -10,-0.1 -0.317 40.3 -90.8 -60.6 139.2 -0.2 19.7 117.5 95 95 A P > - 0 0 2 0, 0.0 3,-2.0 0, 0.0 2,-0.2 -0.168 45.7-101.5 -51.6 143.4 -0.7 17.9 114.2 96 96 A S T 3 S+ 0 0 70 1,-0.3 3,-0.1 -45,-0.1 -13,-0.0 -0.499 114.0 29.8 -65.3 134.3 -4.1 16.4 113.7 97 97 A G T 3 S+ 0 0 73 1,-0.4 -1,-0.3 -2,-0.2 2,-0.2 0.184 100.2 102.7 99.7 -21.1 -3.6 12.7 114.4 98 98 A W S < S- 0 0 34 -3,-2.0 -1,-0.4 1,-0.1 2,-0.2 -0.606 82.3 -86.0 -92.2 161.3 -0.7 13.2 116.8 99 99 A S + 0 0 14 -2,-0.2 46,-0.2 3,-0.2 -1,-0.1 -0.440 37.6 170.6 -77.3 136.0 -1.2 13.0 120.6 100 100 A T S S+ 0 0 74 -2,-0.2 -1,-0.1 44,-0.1 3,-0.1 0.064 87.1 46.2-119.6 16.9 -2.4 15.7 122.9 101 101 A T S S+ 0 0 123 1,-0.2 2,-0.3 43,-0.1 -2,-0.0 0.472 105.5 47.8-137.4 -9.3 -2.7 13.2 125.8 102 102 A D > - 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