==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-03 1HJQ . COMPND 2 MOLECULE: BETA-1,4-GALACTANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR J.LE NOURS,C.RYTTERSGAARD,L.LO LEGGIO,P.R.OSTERGAARD, . 332 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.5 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 1 0 1 1 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 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 PARALLEL BRIDGES PER LADDER . 5 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 0 121 0, 0.0 331,-0.1 0, 0.0 281,-0.0 0.000 360.0 360.0 360.0 154.1 7.3 74.0 113.9 2 2 A L - 0 0 11 330,-1.7 290,-0.2 1,-0.1 3,-0.1 -0.224 360.0-157.2 -63.7 140.0 8.0 70.2 114.4 3 3 A Q S S+ 0 0 98 288,-1.1 2,-0.6 1,-0.3 289,-0.2 0.891 89.2 41.6 -79.4 -44.1 5.4 67.6 113.5 4 4 A Y E +a 292 0A 20 287,-3.1 289,-2.2 2,-0.0 2,-0.4 -0.920 68.5 160.2-110.4 114.4 6.9 65.1 115.9 5 5 A K E +a 293 0A 37 -2,-0.6 37,-3.1 287,-0.2 38,-0.6 -0.930 26.4 99.2-137.4 112.6 8.0 66.4 119.3 6 6 A G E -ab 294 43A 0 287,-2.1 289,-2.1 -2,-0.4 2,-0.3 -0.864 53.5 -95.9-163.6-161.6 8.4 64.0 122.2 7 7 A V E -ab 295 44A 0 36,-1.1 38,-2.5 287,-0.3 2,-0.7 -0.870 28.1-113.2-134.0 165.5 10.6 62.0 124.5 8 8 A D E +ab 296 45A 0 287,-2.3 289,-1.2 -2,-0.3 38,-0.2 -0.923 37.6 170.4 -98.9 118.1 11.9 58.5 124.8 9 9 A W > + 0 0 2 36,-1.3 3,-2.4 -2,-0.7 37,-0.1 0.054 26.3 132.0-119.2 25.1 10.2 57.3 128.1 10 10 A S T > + 0 0 0 35,-0.6 3,-0.5 1,-0.3 4,-0.3 0.783 68.7 58.0 -47.6 -37.4 11.1 53.6 127.9 11 11 A S T >> S+ 0 0 1 1,-0.2 4,-2.4 -3,-0.2 3,-0.5 0.594 75.0 104.6 -73.8 -9.4 12.3 53.4 131.5 12 12 A V H <> S+ 0 0 0 -3,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.815 82.5 40.3 -42.2 -50.5 9.0 54.7 133.0 13 13 A M H <> S+ 0 0 8 -3,-0.5 4,-3.0 2,-0.2 -1,-0.2 0.855 111.8 55.7 -72.4 -33.5 7.7 51.3 134.4 14 14 A V H <> S+ 0 0 38 -3,-0.5 4,-0.9 -4,-0.3 -1,-0.2 0.902 112.0 46.1 -63.2 -38.1 11.1 50.2 135.6 15 15 A E H <>S+ 0 0 5 -4,-2.4 5,-2.5 2,-0.2 3,-0.2 0.908 110.7 50.7 -70.6 -42.2 11.1 53.5 137.6 16 16 A E H ><5S+ 0 0 61 -4,-2.2 3,-2.6 -5,-0.3 -2,-0.2 0.952 109.0 52.0 -60.5 -46.7 7.6 53.1 138.8 17 17 A R H 3<5S+ 0 0 160 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.793 105.6 57.1 -58.9 -26.5 8.4 49.6 140.0 18 18 A A T 3<5S- 0 0 58 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.373 128.4 -99.9 -85.8 4.4 11.4 51.2 141.8 19 19 A G T < 5 + 0 0 47 -3,-2.6 -3,-0.2 1,-0.3 2,-0.2 0.517 68.9 154.2 92.6 6.5 9.0 53.4 143.7 20 20 A V < - 0 0 11 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.3 -0.447 24.2-163.9 -72.5 140.1 9.3 56.6 141.6 21 21 A R - 0 0 133 298,-0.5 2,-0.3 -2,-0.2 8,-0.0 -0.991 6.8-150.6-126.0 129.1 6.5 59.1 141.5 22 22 A Y + 0 0 6 -2,-0.4 8,-1.9 8,-0.4 2,-0.3 -0.717 14.6 178.0-101.7 149.8 6.2 61.8 138.9 23 23 A K B -Ij 29 321B 32 297,-1.7 299,-3.7 -2,-0.3 6,-0.2 -0.962 28.7-115.2-142.1 156.2 4.6 65.3 139.2 24 24 A N > - 0 0 2 4,-1.5 3,-1.8 -2,-0.3 298,-0.2 -0.082 57.4 -74.9 -77.7-169.6 4.3 68.2 136.8 25 25 A V T 3 S+ 0 0 56 1,-0.3 299,-0.1 298,-0.2 -1,-0.1 0.736 132.9 57.3 -60.6 -22.9 6.0 71.5 137.7 26 26 A N T 3 S- 0 0 142 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.406 117.7-106.9 -91.4 2.5 3.4 72.2 140.3 27 27 A G < + 0 0 37 -3,-1.8 2,-0.7 1,-0.3 -2,-0.1 0.544 68.3 147.5 86.0 7.1 3.9 69.1 142.3 28 28 A Q - 0 0 116 1,-0.0 -4,-1.5 0, 0.0 -1,-0.3 -0.688 43.6-136.1 -81.4 114.6 0.7 67.4 141.2 29 29 A E B +I 23 0B 108 -2,-0.7 -6,-0.3 -6,-0.2 292,-0.0 -0.482 42.4 136.5 -72.4 135.4 1.4 63.6 141.0 30 30 A K - 0 0 51 -8,-1.9 -8,-0.4 -2,-0.2 2,-0.1 -0.963 60.5 -64.7-165.9 168.8 0.1 61.7 138.0 31 31 A P >> - 0 0 60 0, 0.0 3,-2.0 0, 0.0 4,-1.1 -0.439 52.0-117.6 -65.4 137.9 1.2 59.0 135.5 32 32 A L H 3> S+ 0 0 2 1,-0.3 4,-2.8 2,-0.2 3,-0.3 0.830 109.1 65.7 -44.9 -46.4 4.1 60.2 133.4 33 33 A E H 3> S+ 0 0 8 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.824 105.5 46.3 -50.6 -31.9 2.3 60.0 130.1 34 34 A Y H <> S+ 0 0 93 -3,-2.0 4,-2.3 2,-0.2 -1,-0.3 0.853 108.6 52.2 -81.1 -34.6 0.0 62.8 131.3 35 35 A I H X S+ 0 0 0 -4,-1.1 4,-0.9 -3,-0.3 -2,-0.2 0.880 112.9 49.1 -65.6 -35.1 2.8 65.0 132.7 36 36 A L H ><>S+ 0 0 0 -4,-2.8 5,-1.9 2,-0.2 3,-0.8 0.943 111.4 45.2 -67.8 -50.3 4.3 64.6 129.2 37 37 A A H ><5S+ 0 0 34 -4,-2.0 3,-1.7 1,-0.3 -2,-0.2 0.890 108.5 60.9 -59.8 -37.7 1.2 65.5 127.2 38 38 A E H 3<5S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.785 103.9 49.7 -58.3 -31.7 0.7 68.4 129.7 39 39 A N T <<5S- 0 0 5 -4,-0.9 290,-0.4 -3,-0.8 291,-0.3 0.277 128.1 -90.8 -95.8 10.8 4.0 69.8 128.6 40 40 A G T < 5S+ 0 0 14 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.344 74.9 146.3 100.6 -7.8 3.4 69.7 124.8 41 41 A V < + 0 0 6 -5,-1.9 -1,-0.3 -6,-0.2 -35,-0.2 -0.419 20.5 178.6 -63.1 136.1 4.8 66.3 124.0 42 42 A N + 0 0 59 -37,-3.1 33,-2.4 1,-0.3 2,-0.3 0.262 62.2 29.7-122.8 10.2 2.8 64.6 121.2 43 43 A M E -bc 6 75A 8 -38,-0.6 -36,-1.1 31,-0.3 2,-0.4 -0.937 60.5-148.1-168.3 142.4 4.8 61.4 120.9 44 44 A V E -bc 7 76A 0 31,-2.6 33,-2.1 -2,-0.3 2,-0.4 -0.894 12.6-142.2-116.8 147.1 6.8 58.9 122.9 45 45 A R E -bc 8 77A 0 -38,-2.5 -36,-1.3 -2,-0.4 -35,-0.6 -0.904 19.1-169.5-106.1 132.6 9.8 56.8 121.7 46 46 A Q E - c 0 78A 0 31,-2.7 33,-3.4 -2,-0.4 2,-0.3 -0.987 15.1-137.8-128.8 128.8 10.0 53.2 123.1 47 47 A R E - c 0 79A 1 -2,-0.4 2,-0.5 31,-0.2 33,-0.2 -0.630 17.2-156.4 -83.8 141.0 12.9 50.8 122.8 48 48 A V E - c 0 80A 0 31,-2.7 33,-2.1 -2,-0.3 34,-0.6 -0.971 7.0-169.0-124.1 121.8 12.1 47.2 122.1 49 49 A W - 0 0 10 8,-2.8 10,-0.3 -2,-0.5 35,-0.2 -0.825 19.6-135.5-108.0 148.0 14.4 44.3 122.9 50 50 A V S S- 0 0 15 33,-2.2 9,-0.4 -2,-0.3 34,-0.2 0.996 88.8 -5.0 -63.1 -80.9 14.0 40.7 121.7 51 51 A N S S- 0 0 90 7,-0.1 -1,-0.2 34,-0.0 33,-0.1 -0.559 76.7-169.6-119.2 67.5 14.7 38.4 124.7 52 52 A P > - 0 0 13 0, 0.0 3,-0.8 0, 0.0 33,-0.1 -0.242 30.3-121.5 -56.6 145.2 15.7 40.7 127.5 53 53 A W T 3 S+ 0 0 225 1,-0.2 32,-0.1 31,-0.2 31,-0.0 0.764 110.5 27.6 -59.9 -28.3 17.1 38.8 130.5 54 54 A D T 3 S- 0 0 69 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.291 111.9-108.3-119.0 8.7 14.5 40.3 132.8 55 55 A G X + 0 0 21 -3,-0.8 3,-1.6 1,-0.3 6,-0.4 0.262 69.9 140.7 85.5 -13.5 11.6 41.0 130.4 56 56 A N T 3 S+ 0 0 24 1,-0.3 -1,-0.3 5,-0.1 -2,-0.2 -0.459 72.1 10.2 -71.2 134.7 12.0 44.8 130.4 57 57 A Y T 3 S+ 0 0 13 1,-0.3 -8,-2.8 -2,-0.2 -1,-0.3 0.564 97.9 131.5 77.0 11.0 11.6 46.5 127.1 58 58 A N S <> S- 0 0 37 -3,-1.6 4,-2.5 -10,-0.2 -1,-0.3 -0.345 77.4 -86.1 -84.8 176.3 10.3 43.3 125.6 59 59 A L H > S+ 0 0 30 -9,-0.4 4,-1.9 -10,-0.3 5,-0.2 0.913 127.8 46.5 -47.5 -58.2 7.1 43.2 123.5 60 60 A D H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.921 112.9 52.2 -52.3 -47.2 4.6 42.8 126.3 61 61 A Y H > S+ 0 0 9 -6,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.895 110.7 47.0 -56.2 -44.3 6.4 45.5 128.2 62 62 A N H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.749 106.7 57.9 -73.5 -22.9 6.1 47.9 125.3 63 63 A I H X S+ 0 0 11 -4,-1.9 4,-2.4 -3,-0.3 -1,-0.2 0.873 104.2 50.7 -74.0 -36.4 2.5 47.1 124.7 64 64 A Q H X S+ 0 0 104 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.913 114.0 46.7 -65.4 -40.0 1.5 48.2 128.2 65 65 A L H X S+ 0 0 0 -4,-1.5 4,-3.4 2,-0.2 -2,-0.2 0.939 111.1 50.0 -65.4 -49.9 3.4 51.4 127.6 66 66 A A H X S+ 0 0 2 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.958 109.1 51.2 -53.7 -55.5 1.9 52.0 124.2 67 67 A R H X S+ 0 0 138 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.913 114.4 45.0 -50.3 -45.7 -1.6 51.5 125.5 68 68 A R H X S+ 0 0 46 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.937 111.4 51.6 -64.4 -47.1 -0.9 54.0 128.2 69 69 A A H <>S+ 0 0 2 -4,-3.4 5,-2.7 1,-0.2 -2,-0.2 0.881 110.1 50.8 -56.4 -40.3 0.8 56.5 125.8 70 70 A K H ><5S+ 0 0 122 -4,-3.1 3,-2.6 1,-0.2 -1,-0.2 0.893 102.3 58.8 -65.8 -42.3 -2.3 56.3 123.6 71 71 A A H 3<5S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.841 105.9 50.4 -58.3 -31.3 -4.7 57.0 126.4 72 72 A A T 3<5S- 0 0 15 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.249 122.5-109.9 -89.9 12.6 -2.8 60.3 127.0 73 73 A G T < 5 + 0 0 64 -3,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.684 69.6 145.9 69.5 19.6 -3.2 61.1 123.3 74 74 A L < - 0 0 12 -5,-2.7 -31,-0.3 -6,-0.2 -1,-0.2 -0.703 46.4-123.8 -93.4 140.8 0.5 60.6 122.6 75 75 A G E -c 43 0A 15 -33,-2.4 -31,-2.6 -2,-0.3 2,-0.4 -0.255 26.6-119.0 -73.0 168.4 1.8 59.2 119.3 76 76 A L E -c 44 0A 6 50,-0.3 52,-1.9 -33,-0.2 53,-1.7 -0.933 24.4-178.5-120.9 133.6 4.0 56.1 119.2 77 77 A Y E -cd 45 129A 0 -33,-2.1 -31,-2.7 -2,-0.4 2,-0.5 -0.952 18.4-154.7-127.7 104.4 7.6 55.7 117.8 78 78 A I E -cd 46 130A 0 51,-3.0 53,-2.3 -2,-0.5 2,-0.7 -0.739 4.4-160.5 -85.8 124.4 8.8 52.1 118.2 79 79 A N E -cd 47 131A 0 -33,-3.4 -31,-2.7 -2,-0.5 2,-0.3 -0.851 4.6-159.6-111.6 95.2 12.5 51.8 118.4 80 80 A F E -cd 48 132A 0 51,-1.7 53,-0.7 -2,-0.7 -31,-0.1 -0.576 15.0-179.1 -74.3 129.3 13.8 48.2 117.5 81 81 A H - 0 0 6 -33,-2.1 53,-0.3 -2,-0.3 -1,-0.2 0.584 27.5-145.8-100.1 -15.6 17.2 47.4 118.8 82 82 A Y + 0 0 0 -34,-0.6 59,-0.3 1,-0.2 2,-0.3 0.908 67.6 90.4 48.5 48.4 17.1 43.9 117.3 83 83 A S S S- 0 0 0 -35,-0.3 -33,-2.2 11,-0.1 -2,-0.2 -0.950 86.5-117.5-158.7 165.1 19.1 42.7 120.2 84 84 A D S S+ 0 0 40 9,-0.6 -31,-0.2 -2,-0.3 2,-0.2 0.739 101.0 20.0 -81.7 -21.5 18.5 41.2 123.7 85 85 A T S S- 0 0 61 8,-0.3 -35,-0.1 1,-0.1 8,-0.1 -0.714 114.3 -32.1-135.1-176.2 20.2 44.2 125.1 86 86 A W - 0 0 93 -2,-0.2 2,-0.5 1,-0.1 7,-0.3 -0.102 54.8-156.8 -44.6 120.3 21.4 47.8 124.4 87 87 A A + 0 0 2 5,-0.1 5,-0.2 -4,-0.1 -1,-0.1 -0.893 30.2 136.0-106.4 131.2 22.2 48.2 120.7 88 88 A D B > -K 91 0C 42 3,-2.6 3,-2.0 -2,-0.5 47,-0.1 -0.914 69.9 -68.8-156.3 177.7 24.5 51.0 119.6 89 89 A P T 3 S+ 0 0 30 0, 0.0 3,-0.1 0, 0.0 46,-0.1 0.736 133.5 39.8 -49.1 -27.1 27.5 51.5 117.3 90 90 A A T 3 S+ 0 0 63 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.498 119.9 44.5-103.6 -3.7 29.8 49.4 119.5 91 91 A H B < +K 88 0C 99 -3,-2.0 -3,-2.6 2,-0.0 -1,-0.2 -0.883 45.6 149.8-147.1 112.4 27.2 46.7 120.3 92 92 A Q - 0 0 0 -2,-0.3 50,-2.7 -5,-0.2 2,-0.6 -0.580 26.9-177.5-136.1 65.9 24.8 45.0 117.9 93 93 A T B -l 142 0D 83 -7,-0.3 -9,-0.6 48,-0.2 -8,-0.3 -0.597 24.8-129.5 -77.3 113.1 24.5 41.6 119.5 94 94 A T - 0 0 26 48,-0.9 -11,-0.1 -2,-0.6 3,-0.1 -0.314 38.1 -95.6 -58.3 137.4 22.3 39.2 117.6 95 95 A P > - 0 0 2 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.312 47.5 -99.5 -56.6 133.7 19.7 37.6 119.9 96 96 A A T 3 S+ 0 0 79 1,-0.2 -45,-0.0 -45,-0.1 -3,-0.0 -0.303 111.0 29.4 -54.9 137.9 20.9 34.2 121.1 97 97 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.2 -3,-0.1 -3,-0.0 0.003 88.1 124.1 100.3 -29.6 19.3 31.5 119.0 98 98 A W < - 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