==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-95 1APY . COMPND 2 MOLECULE: ASPARTYLGLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.ROUVINEN,C.OINONEN . 604 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20422.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 21.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 23 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 2 0 0 0 0 0 4 2 4 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 0 6 4 6 2 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 0 0 2 0 0 0 0 2 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 S 0 0 114 0, 0.0 289,-0.2 0, 0.0 290,-0.1 0.000 360.0 360.0 360.0 158.2 13.1 14.8 20.6 2 3 A P + 0 0 62 0, 0.0 288,-0.9 0, 0.0 289,-0.1 0.693 360.0 127.9 -77.1 -18.1 10.6 17.6 20.1 3 4 A L + 0 0 17 286,-0.1 2,-0.2 168,-0.1 168,-0.1 -0.606 32.0 58.6 -84.1 148.7 12.4 18.4 16.8 4 5 A P S S- 0 0 21 0, 0.0 286,-0.4 0, 0.0 2,-0.4 0.464 72.8-179.4 -70.0 162.2 11.6 18.7 13.9 5 6 A L E -A 169 0A 1 164,-1.8 164,-2.6 -2,-0.2 2,-0.4 -0.995 15.8-173.2-136.9 137.9 9.2 21.6 14.4 6 7 A V E +AB 168 288A 0 282,-1.9 282,-1.2 -2,-0.4 2,-0.4 -0.996 10.5 171.5-132.0 123.3 7.1 23.5 11.9 7 8 A V E +AB 167 287A 2 160,-2.6 160,-3.0 -2,-0.4 2,-0.3 -0.999 3.8 171.5-134.7 130.9 5.1 26.6 13.0 8 9 A N E -AB 166 286A 0 278,-1.8 278,-1.8 -2,-0.4 158,-0.2 -0.975 35.6 -97.9-140.4 154.7 3.2 29.0 10.7 9 10 A T E S+ B 0 285A 0 156,-2.3 3,-0.5 -2,-0.3 276,-0.2 -0.375 83.9 7.1 -68.1 147.0 0.8 31.9 11.0 10 11 A W B S-c 285 0A 45 274,-1.3 2,-1.5 1,-0.2 276,-0.7 0.336 101.7 -63.8 65.4 163.7 -2.9 31.2 10.5 11 12 A P S S+ 0 0 50 0, 0.0 2,-1.7 0, 0.0 3,-0.2 -0.131 77.6 142.0 -73.9 40.5 -4.9 28.0 10.1 12 13 A F > + 0 0 15 -2,-1.5 4,-1.2 -3,-0.5 3,-0.4 -0.600 17.4 165.8 -83.9 79.9 -3.2 27.2 6.8 13 14 A K H > + 0 0 90 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.839 67.2 59.2 -67.6 -34.7 -2.9 23.4 7.5 14 15 A N H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.811 105.9 50.7 -64.3 -28.4 -2.1 22.4 3.9 15 16 A A H > S+ 0 0 0 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.858 109.3 49.6 -75.2 -37.3 1.0 24.6 4.1 16 17 A T H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.875 111.6 51.5 -66.6 -38.5 2.1 23.0 7.4 17 18 A E H X S+ 0 0 62 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.882 107.6 49.4 -65.5 -45.2 1.6 19.6 5.8 18 19 A A H X S+ 0 0 9 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.844 111.5 51.2 -65.8 -33.0 3.7 20.4 2.7 19 20 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.916 111.4 45.9 -69.7 -44.7 6.5 21.6 5.1 20 21 A W H X S+ 0 0 46 -4,-2.1 4,-2.9 1,-0.2 3,-0.4 0.942 110.4 54.1 -62.7 -47.7 6.4 18.5 7.2 21 22 A R H X S+ 0 0 143 -4,-2.7 4,-1.9 1,-0.3 -1,-0.2 0.868 105.1 54.7 -54.3 -39.7 6.3 16.3 4.1 22 23 A A H <>S+ 0 0 14 -4,-1.6 5,-2.2 2,-0.2 -1,-0.3 0.889 111.0 45.5 -62.6 -38.4 9.5 18.1 2.8 23 24 A L H ><5S+ 0 0 17 -4,-1.5 3,-2.2 -3,-0.4 -2,-0.2 0.940 108.0 55.5 -70.3 -46.6 11.2 17.2 6.1 24 25 A A H 3<5S+ 0 0 78 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.862 102.2 58.5 -54.4 -37.2 10.0 13.6 6.1 25 26 A S T 3<5S- 0 0 112 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.192 129.6 -97.6 -79.5 18.2 11.6 13.2 2.6 26 27 A G T < 5S+ 0 0 64 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.648 74.4 155.4 75.6 14.7 14.9 14.2 4.1 27 28 A G < - 0 0 10 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.0 -0.309 42.8-107.4 -73.2 158.8 14.6 17.8 3.0 28 29 A S > - 0 0 43 1,-0.1 4,-2.1 142,-0.1 5,-0.1 -0.262 30.7-102.8 -79.1 170.0 16.3 20.7 4.7 29 30 A A H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 126.4 51.7 -59.5 -39.6 14.7 23.3 6.9 30 31 A L H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.877 106.5 52.4 -64.3 -39.4 15.0 25.6 3.9 31 32 A D H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 110.0 50.2 -63.6 -39.0 13.3 23.1 1.6 32 33 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.947 110.1 48.0 -64.8 -50.1 10.4 22.8 4.1 33 34 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.936 113.2 47.9 -57.6 -47.6 9.9 26.6 4.4 34 35 A E H X S+ 0 0 45 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.921 113.1 49.6 -60.5 -41.8 9.9 27.0 0.6 35 36 A S H X S+ 0 0 44 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.862 111.9 47.0 -64.3 -41.5 7.4 24.1 0.3 36 37 A G H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.956 116.2 42.4 -66.6 -51.7 5.0 25.4 2.9 37 38 A C H >X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 3,-0.6 0.892 112.0 53.4 -63.3 -42.2 4.9 29.0 1.6 38 39 A A H >X S+ 0 0 6 -4,-2.5 4,-2.1 -5,-0.3 3,-0.5 0.865 101.5 62.4 -61.7 -34.7 4.7 28.0 -2.0 39 40 A M H 3X S+ 0 0 34 -4,-1.3 4,-2.0 1,-0.3 -1,-0.2 0.857 104.2 47.0 -59.5 -37.2 1.7 25.8 -1.1 40 41 A a H S+ 0 0 0 -4,-1.0 5,-1.6 -3,-0.6 4,-1.0 0.689 106.0 58.8 -78.6 -19.7 -0.2 28.9 -0.0 41 42 A E H <<5S+ 0 0 8 -4,-1.0 10,-0.3 -3,-0.5 -2,-0.2 0.924 110.7 42.0 -71.8 -42.8 0.8 30.7 -3.2 42 43 A R H <5S+ 0 0 159 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.911 121.0 42.3 -66.6 -44.7 -0.9 28.0 -5.3 43 44 A E H <5S- 0 0 83 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.572 100.9-135.2 -79.8 -11.1 -3.8 27.8 -2.9 44 45 A Q T ><5 - 0 0 65 -4,-1.0 3,-2.7 1,-0.2 -3,-0.2 0.925 26.3-139.0 55.1 47.6 -4.1 31.6 -2.5 45 46 A a G > - 0 0 0 4,-2.4 3,-2.5 130,-0.2 132,-0.2 -0.129 42.3 -74.6 -77.8-173.7 -3.1 47.5 -5.7 57 58 A E T 3 S+ 0 0 31 130,-2.3 131,-0.1 1,-0.3 -1,-0.1 0.760 136.6 48.5 -53.9 -27.7 -4.5 50.9 -6.7 58 59 A L T 3 S- 0 0 108 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.356 120.0-106.8 -95.3 4.8 -3.9 50.0 -10.4 59 60 A G S < S+ 0 0 4 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.448 78.0 130.7 85.6 -0.6 -5.5 46.6 -10.2 60 61 A E - 0 0 40 -5,-0.1 -4,-2.4 63,-0.1 2,-0.5 -0.679 52.3-139.5 -91.9 140.6 -2.1 44.7 -10.3 61 62 A T - 0 0 1 -2,-0.3 22,-0.5 -6,-0.2 2,-0.4 -0.860 24.2-178.9 -96.8 123.0 -1.2 42.0 -7.9 62 63 A T - 0 0 0 -2,-0.5 2,-0.3 120,-0.4 20,-0.2 -0.994 13.0-143.7-125.0 137.9 2.5 42.2 -6.8 63 64 A L E -D 81 0A 0 18,-2.1 18,-3.1 -2,-0.4 2,-0.4 -0.702 11.1-165.7-107.0 152.4 4.2 39.8 -4.4 64 65 A D E + E 0 181A 0 117,-2.2 117,-1.8 -2,-0.3 2,-0.3 -0.981 19.6 160.1-130.1 142.0 6.8 40.0 -1.6 65 66 A A E -DE 78 180A 0 13,-2.6 13,-2.6 -2,-0.4 2,-0.3 -0.991 14.9-172.0-160.7 159.2 8.6 37.0 -0.1 66 67 A M E -DE 77 179A 0 113,-1.6 113,-2.1 -2,-0.3 2,-0.3 -0.986 6.2-167.0-152.7 152.3 11.7 36.1 1.9 67 68 A I E -DE 76 178A 0 9,-2.0 9,-2.4 -2,-0.3 2,-0.4 -0.981 13.0-161.7-143.9 133.4 13.5 33.0 3.0 68 69 A M E -DE 75 177A 0 109,-2.8 109,-1.6 -2,-0.3 2,-0.7 -0.982 13.9-144.3-127.4 133.5 16.3 33.0 5.7 69 70 A D E > - E 0 176A 28 5,-2.9 4,-2.2 -2,-0.4 5,-0.4 -0.803 8.5-163.5 -92.0 110.9 19.0 30.4 6.5 70 71 A G T 4 S+ 0 0 1 105,-2.5 136,-1.6 -2,-0.7 137,-0.3 0.786 85.3 56.1 -66.0 -27.6 19.6 30.4 10.2 71 72 A T T 4 S+ 0 0 65 104,-0.5 -1,-0.2 134,-0.2 105,-0.1 0.975 127.2 14.1 -68.3 -58.0 22.9 28.6 9.9 72 73 A T T 4 S- 0 0 62 2,-0.1 -2,-0.2 133,-0.0 -1,-0.1 0.679 97.1-129.7 -90.4 -22.4 24.7 31.0 7.6 73 74 A M < + 0 0 1 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.786 52.4 155.9 71.6 31.6 22.2 33.8 8.1 74 75 A D - 0 0 25 -5,-0.4 -5,-2.9 2,-0.0 2,-0.4 -0.623 25.2-159.4 -83.8 147.4 21.9 34.2 4.3 75 76 A V E -D 68 0A 2 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.994 13.8-167.2-135.4 136.2 18.7 35.8 3.1 76 77 A G E +D 67 0A 0 -9,-2.4 -9,-2.0 -2,-0.4 2,-0.3 -0.995 24.5 166.0-121.2 124.9 17.0 35.7 -0.3 77 78 A A E -Df 66 102A 0 24,-1.7 26,-1.9 -2,-0.5 2,-0.4 -0.998 22.7-167.9-146.2 147.2 14.2 38.2 -0.7 78 79 A V E -Df 65 103A 0 -13,-2.6 -13,-2.6 -2,-0.3 2,-0.4 -0.983 7.3-172.4-130.9 143.0 12.0 39.8 -3.4 79 80 A G E S+ f 0 104A 0 24,-1.5 26,-1.8 -2,-0.4 -15,-0.2 -0.995 71.1 11.3-136.1 140.7 9.6 42.8 -3.1 80 81 A D E S- 0 0 0 -2,-0.4 2,-0.4 24,-0.2 -16,-0.2 0.902 79.3-176.4 60.4 40.2 7.2 44.1 -5.6 81 82 A L E -D 63 0A 0 -18,-3.1 -18,-2.1 -3,-0.1 2,-0.4 -0.603 8.2-157.3 -71.1 124.3 7.6 41.0 -7.7 82 83 A R - 0 0 42 23,-0.6 -20,-0.1 -2,-0.4 3,-0.1 -0.867 59.1 -4.9-112.0 138.7 5.6 41.5 -10.8 83 84 A R S S+ 0 0 104 -22,-0.5 37,-3.0 -2,-0.4 2,-0.4 0.679 99.5 106.8 58.0 27.0 4.2 38.8 -13.2 84 85 A I - 0 0 1 35,-0.2 3,-0.2 -3,-0.2 -21,-0.2 -0.994 50.4-163.2-133.5 126.2 5.8 35.8 -11.5 85 86 A K S S+ 0 0 71 33,-0.5 2,-2.0 -2,-0.4 3,-0.2 0.916 76.6 66.3 -76.5 -46.3 3.7 33.4 -9.4 86 87 A N >> + 0 0 49 1,-0.2 4,-1.9 32,-0.1 3,-0.7 -0.411 59.6 165.8 -80.8 67.9 6.3 31.5 -7.3 87 88 A A H 3> S+ 0 0 0 -2,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.851 75.2 43.9 -51.6 -49.3 7.5 34.5 -5.2 88 89 A I H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.771 108.7 60.0 -72.7 -19.7 9.3 32.5 -2.5 89 90 A G H <> S+ 0 0 0 -3,-0.7 4,-1.0 2,-0.2 -2,-0.2 0.890 109.0 43.7 -70.6 -37.4 10.8 30.3 -5.2 90 91 A V H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 3,-0.2 0.881 109.8 55.5 -72.5 -41.6 12.4 33.4 -6.7 91 92 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 3,-0.3 0.896 105.8 52.6 -59.7 -39.1 13.5 34.6 -3.2 92 93 A R H X S+ 0 0 26 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.849 105.9 54.5 -66.4 -31.2 15.3 31.4 -2.7 93 94 A K H X S+ 0 0 53 -4,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.780 102.0 56.5 -71.1 -30.4 17.1 31.9 -6.0 94 95 A V H X S+ 0 0 0 -4,-1.4 4,-1.0 -3,-0.3 6,-0.3 0.894 111.0 46.6 -66.2 -37.5 18.3 35.3 -4.9 95 96 A L H < S+ 0 0 13 -4,-1.5 -2,-0.2 1,-0.2 3,-0.2 0.948 119.0 38.2 -68.1 -49.3 19.8 33.4 -1.9 96 97 A E H < S+ 0 0 55 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.778 124.9 34.3 -76.4 -28.0 21.4 30.6 -4.0 97 98 A H H < S+ 0 0 11 -4,-2.5 352,-1.7 -5,-0.1 2,-0.3 0.360 115.5 37.4-114.9 7.6 22.6 32.6 -7.0 98 99 A T B < -J 448 0B 1 -4,-1.0 350,-0.2 350,-0.3 349,-0.0 -0.924 65.1-131.9-146.3 166.6 23.7 36.0 -5.8 99 100 A T S S+ 0 0 50 348,-1.9 2,-0.1 -2,-0.3 349,-0.1 0.194 80.3 101.3-104.0 12.2 25.4 37.5 -2.8 100 101 A H - 0 0 1 347,-0.4 -2,-0.2 -6,-0.3 -25,-0.1 -0.462 62.3-149.6 -89.2 169.2 22.7 40.2 -2.6 101 102 A T S S+ 0 0 0 395,-0.3 -24,-1.7 1,-0.3 2,-0.4 0.819 73.2 29.1-106.8 -44.9 19.8 40.1 -0.1 102 103 A L E +fG 77 496A 3 394,-0.6 394,-2.4 -26,-0.2 2,-0.4 -0.972 50.8 179.1-132.0 132.2 16.9 41.9 -1.9 103 104 A L E -fG 78 495A 0 -26,-1.9 -24,-1.5 -2,-0.4 2,-0.3 -0.964 20.6-167.8-123.1 140.7 15.8 42.4 -5.5 104 105 A V E >> -f 79 0A 0 390,-2.2 4,-1.1 -2,-0.4 3,-0.6 -0.872 29.2 -7.0-134.8 165.1 12.6 44.3 -6.4 105 106 A G H >> S- 0 0 0 -26,-1.8 4,-1.1 -2,-0.3 3,-0.7 -0.028 110.4 -23.7 60.7-155.0 10.1 45.3 -9.1 106 107 A E H 3> S+ 0 0 86 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.754 134.7 64.4 -62.2 -25.1 10.1 44.5 -12.8 107 108 A S H <> S+ 0 0 2 -3,-0.6 4,-1.9 1,-0.2 -1,-0.3 0.888 101.6 48.9 -64.3 -39.7 13.9 44.2 -12.4 108 109 A A H S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 -1,-0.2 0.852 106.4 53.3 -60.2 -39.1 13.3 35.4 -12.2 113 114 A Q H ><5S+ 0 0 93 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.881 106.1 53.3 -65.8 -36.1 13.0 34.8 -15.9 114 115 A S H 3<5S+ 0 0 51 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.848 106.5 53.8 -64.9 -34.9 16.8 34.1 -16.0 115 116 A M T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.272 129.2 -97.1 -83.6 9.4 16.3 31.6 -13.2 116 117 A G T < 5S+ 0 0 59 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.516 74.8 143.0 90.9 7.4 13.6 29.8 -15.3 117 118 A F < - 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