==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-NOV-07 2VHL . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.VINCENT,D.YATES,E.GARMAN,G.J.DAVIES . 785 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 . 1 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 . 65 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.9 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 1 1 6 2 4 2 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 1 10 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 PARALLEL BRIDGES PER LADDER . 4 2 2 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 0 0 0 2 2 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 3 A E 0 0 156 0, 0.0 26,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 128.5 12.7 40.2 136.5 2 4 A S - 0 0 21 23,-0.1 41,-1.5 24,-0.1 2,-0.4 -0.398 360.0-153.4 -55.9 147.4 13.9 37.6 138.9 3 5 A L E -Ab 24 43A 5 21,-2.2 21,-2.8 39,-0.2 2,-0.4 -0.996 19.3-164.2-142.0 137.9 11.9 34.4 138.1 4 6 A L E -Ab 23 44A 1 39,-1.7 41,-3.7 -2,-0.4 2,-0.5 -0.986 7.2-157.2-127.5 126.6 10.7 31.3 139.9 5 7 A I E -Ab 22 45A 0 17,-3.0 17,-2.1 -2,-0.4 2,-0.4 -0.877 23.4-149.5-103.8 127.2 9.5 28.1 138.3 6 8 A K E - b 0 46A 28 39,-3.1 41,-1.8 -2,-0.5 15,-0.2 -0.843 51.7 -10.0-116.1 132.6 7.3 26.1 140.7 7 9 A D E S+ 0 0 47 -2,-0.4 2,-0.3 13,-0.4 -1,-0.2 0.890 83.0 139.7 59.7 59.9 6.5 22.4 141.2 8 10 A I E -A 20 0A 3 12,-2.2 12,-2.6 -3,-0.2 2,-0.6 -0.901 60.9-106.1-131.7 147.8 8.1 20.7 138.1 9 11 A A E - c 0 52A 23 42,-0.9 44,-2.9 -2,-0.3 2,-0.5 -0.722 45.3-153.5 -70.1 121.8 10.1 17.5 137.4 10 12 A I E -Ac 17 53A 0 7,-2.1 7,-2.5 -2,-0.6 2,-0.9 -0.871 12.0-149.1-108.1 127.2 13.6 18.9 136.8 11 13 A V E -A 16 0A 0 42,-2.4 347,-0.7 -2,-0.5 5,-0.2 -0.826 27.5-179.8 -96.5 102.5 16.2 17.2 134.7 12 14 A T - 0 0 19 3,-2.6 347,-0.1 -2,-0.9 326,-0.1 -0.256 47.8 -81.6 -89.4-177.6 19.5 18.1 136.2 13 15 A E S S+ 0 0 63 345,-0.3 346,-0.1 1,-0.2 3,-0.0 0.877 125.4 9.9 -48.1 -45.0 23.0 17.1 135.1 14 16 A N S S+ 0 0 128 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.455 126.0 23.1-123.6 -2.6 22.7 13.7 136.8 15 17 A E - 0 0 116 320,-0.1 -3,-2.6 2,-0.0 2,-0.5 -0.923 64.3-111.7-153.4 173.9 19.1 13.1 138.0 16 18 A V E -A 11 0A 76 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.982 25.0-150.2-117.8 113.5 15.4 13.9 137.7 17 19 A I E -A 10 0A 25 -7,-2.5 -7,-2.1 -2,-0.5 3,-0.3 -0.772 11.2-145.7 -78.6 117.1 14.0 15.8 140.7 18 20 A K E S+ 0 0 191 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.871 82.0 4.5 -59.4 -41.9 10.3 14.6 140.8 19 21 A N E S+ 0 0 74 -10,-0.1 -1,-0.2 -3,-0.1 2,-0.2 -0.850 87.6 143.8-146.2 112.5 8.9 18.0 142.0 20 22 A G E -A 8 0A 0 -12,-2.6 -12,-2.2 -2,-0.3 -13,-0.4 -0.750 38.7-121.8-141.8-175.2 11.1 21.0 142.4 21 23 A Y E - D 0 33A 31 12,-2.7 12,-2.1 -2,-0.2 2,-0.4 -0.954 14.1-162.8-132.7 140.4 11.6 24.8 142.2 22 24 A V E -AD 5 32A 0 -17,-2.1 -17,-3.0 -2,-0.3 2,-0.4 -0.991 7.3-163.4-128.4 123.7 14.1 26.8 140.2 23 25 A G E -AD 4 31A 0 8,-1.6 7,-2.5 -2,-0.4 8,-1.7 -0.856 4.5-163.3-108.5 147.4 14.8 30.4 141.0 24 26 A I E +AD 3 29A 2 -21,-2.8 -21,-2.2 -2,-0.4 2,-0.3 -0.966 10.2 174.6-135.0 135.8 16.5 32.7 138.5 25 27 A N E > - D 0 28A 51 3,-2.1 3,-2.0 -2,-0.4 -23,-0.1 -0.982 67.1 -5.9-149.8 135.0 18.2 36.1 139.2 26 28 A D T 3 S- 0 0 167 -2,-0.3 3,-0.1 1,-0.3 -24,-0.1 0.806 129.3 -52.8 45.1 41.5 20.2 38.5 137.0 27 29 A G T 3 S+ 0 0 18 1,-0.2 337,-3.0 -26,-0.2 -1,-0.3 0.271 117.6 95.3 90.5 -9.4 20.1 35.9 134.1 28 30 A K E < S-DE 25 363A 90 -3,-2.0 -3,-2.1 335,-0.3 2,-0.6 -0.758 81.0-100.7-117.2 159.9 21.5 32.9 136.0 29 31 A I E +D 24 0A 2 333,-3.2 332,-3.6 330,-0.3 -5,-0.2 -0.689 41.1 168.8 -78.6 118.8 20.2 29.9 137.9 30 32 A S E + 0 0 51 -7,-2.5 2,-0.3 -2,-0.6 -6,-0.2 0.634 60.3 26.6-108.8 -16.5 20.3 30.7 141.6 31 33 A T E +D 23 0A 21 -8,-1.7 -8,-1.6 328,-0.1 2,-0.4 -0.980 45.6 173.5-152.6 130.9 18.3 27.9 143.2 32 34 A V E +D 22 0A 38 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.937 34.9 138.2-133.8 114.9 17.4 24.2 142.3 33 35 A S E -D 21 0A 45 -12,-2.1 -12,-2.7 -2,-0.4 -2,-0.0 -0.971 62.1-124.5-154.0 160.5 15.6 22.5 145.2 34 36 A T S S+ 0 0 83 -2,-0.3 2,-0.4 -14,-0.2 -1,-0.0 0.518 97.2 63.7 -80.1 -9.9 12.7 20.2 146.2 35 37 A E S S- 0 0 134 -14,-0.1 -14,-0.2 -28,-0.0 -2,-0.0 -0.925 97.3 -95.3-127.2 143.8 11.4 22.9 148.4 36 38 A R - 0 0 118 -2,-0.4 -2,-0.1 1,-0.1 -30,-0.0 -0.305 47.5-118.3 -55.3 122.0 10.1 26.4 147.9 37 39 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -15,-0.0 -0.265 9.4-133.3 -59.5 154.2 12.9 29.0 148.3 38 40 A K S S+ 0 0 198 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.874 77.6 93.4 -73.8 -40.9 12.6 31.6 151.0 39 41 A E S S- 0 0 90 1,-0.1 2,-0.2 -16,-0.0 0, 0.0 -0.143 82.5-107.9 -61.8 146.5 13.7 34.5 148.8 40 42 A P - 0 0 119 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.538 28.8-153.1 -79.0 142.2 11.0 36.7 147.1 41 43 A Y - 0 0 21 -2,-0.2 -38,-0.1 1,-0.1 3,-0.1 -0.972 14.0-146.1-121.5 131.4 10.5 36.4 143.3 42 44 A S S S+ 0 0 84 -2,-0.4 2,-0.4 1,-0.2 -39,-0.2 0.878 92.0 17.8 -59.2 -48.1 9.1 39.1 141.0 43 45 A K E S-b 3 0A 97 -41,-1.5 -39,-1.7 2,-0.0 2,-0.4 -0.973 72.1-165.5-122.9 142.3 7.3 36.7 138.7 44 46 A E E -b 4 0A 62 -2,-0.4 2,-0.5 -41,-0.2 -39,-0.2 -0.994 8.2-150.1-127.1 136.1 6.6 33.0 139.5 45 47 A I E -b 5 0A 16 -41,-3.7 -39,-3.1 -2,-0.4 2,-0.8 -0.924 4.7-149.6-109.4 125.9 5.6 30.4 137.0 46 48 A Q E -b 6 0A 101 -2,-0.5 -39,-0.1 346,-0.2 -41,-0.1 -0.856 23.5-135.1 -93.9 107.5 3.3 27.6 138.1 47 49 A A - 0 0 10 -41,-1.8 -42,-0.0 -2,-0.8 -2,-0.0 -0.386 19.4-112.4 -63.9 131.7 4.2 24.6 135.9 48 50 A P > - 0 0 57 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.000 44.3 -83.3 -50.7 172.0 1.4 22.6 134.3 49 51 A A T 3 S+ 0 0 95 1,-0.2 -2,-0.1 -41,-0.1 321,-0.0 0.906 113.3 15.4 -59.3 -70.4 0.8 19.0 135.5 50 52 A D T 3 S+ 0 0 132 -42,-0.1 -1,-0.2 2,-0.0 -42,-0.1 0.279 92.9 135.2 -97.7 22.7 3.1 16.5 133.8 51 53 A S < - 0 0 7 -3,-0.6 -42,-0.9 319,-0.1 2,-0.3 0.056 40.9-147.1 -66.9 168.8 5.6 19.0 132.4 52 54 A V E -cF 9 369A 8 317,-2.6 317,-2.4 -44,-0.1 2,-0.6 -0.996 8.9-136.2-142.4 137.8 9.4 18.6 132.6 53 55 A L E +cF 10 368A 0 -44,-2.9 -42,-2.4 -2,-0.3 315,-0.2 -0.893 30.2 178.3 -99.9 120.2 12.1 21.3 132.9 54 56 A L E - F 0 367A 0 313,-2.8 313,-2.5 -2,-0.6 2,-0.2 -0.818 38.1 -98.3-112.6 155.8 15.0 20.6 130.6 55 57 A P E - F 0 366A 2 0, 0.0 311,-0.3 0, 0.0 303,-0.1 -0.528 61.2 -85.9 -65.2 144.1 18.1 22.6 130.0 56 58 A G - 0 0 2 309,-1.8 300,-0.2 -2,-0.2 34,-0.2 -0.255 52.1-107.9 -52.7 139.9 17.6 24.8 126.9 57 59 A M E -i 90 0B 1 32,-2.4 34,-2.4 -3,-0.1 35,-1.3 -0.369 25.2-147.5 -78.4 148.5 18.4 23.0 123.8 58 60 A I E -i 92 0B 1 283,-3.1 2,-0.7 32,-0.2 35,-0.2 -0.974 4.9-161.5-120.7 120.9 21.5 23.8 121.7 59 61 A D E +i 93 0B 0 33,-2.0 35,-1.9 -2,-0.5 3,-0.2 -0.903 10.7 177.8-107.2 110.1 21.5 23.4 118.0 60 62 A I E S+ 0 0 1 -2,-0.7 2,-0.3 216,-0.3 -1,-0.1 0.492 73.6 44.2 -92.7 -2.0 25.1 23.3 116.6 61 63 A H E S+ 0 0 0 35,-0.1 218,-2.6 70,-0.0 217,-0.5 -0.746 71.7 130.2-146.9 93.4 24.1 22.8 113.0 62 64 A I E -i 95 0B 0 32,-1.0 34,-2.0 -2,-0.3 70,-0.1 -0.924 29.6-171.9-152.9 123.6 21.3 24.9 111.6 63 65 A H - 0 0 0 217,-1.6 7,-3.4 -2,-0.3 2,-0.3 0.875 63.6 -49.5 -81.1 -42.3 21.2 27.0 108.4 64 66 A G E -P 69 0C 0 216,-1.8 5,-0.2 5,-0.3 2,-0.2 -0.882 48.1-172.9-171.1-168.5 18.0 28.9 108.8 65 67 A G E > +P 68 0C 1 3,-1.9 3,-2.4 -2,-0.3 217,-0.2 -0.775 63.8 41.4 167.2 160.4 14.3 28.7 109.5 66 68 A Y T 3 S- 0 0 15 218,-3.5 217,-0.2 1,-0.3 219,-0.1 0.882 134.6 -48.9 56.5 35.5 11.1 30.9 109.5 67 69 A G T 3 S+ 0 0 34 215,-3.0 -1,-0.3 1,-0.2 2,-0.3 0.296 117.5 108.2 90.9 -9.9 12.1 32.5 106.2 68 70 A A E < -P 65 0C 3 -3,-2.4 -3,-1.9 214,-0.2 2,-0.3 -0.719 43.1-173.2-105.3 151.2 15.7 33.3 107.3 69 71 A D E > -P 64 0C 0 -2,-0.3 3,-2.6 -5,-0.2 4,-0.5 -0.981 32.1-129.3-140.0 129.7 19.1 31.8 106.3 70 72 A T G > S+ 0 0 5 -7,-3.4 3,-1.5 -2,-0.3 27,-0.1 0.824 108.9 62.6 -32.7 -44.6 22.5 32.6 107.8 71 73 A M G 3 S+ 0 0 23 1,-0.3 -1,-0.3 25,-0.2 37,-0.1 0.683 82.8 77.9 -66.4 -20.7 23.8 33.1 104.1 72 74 A D G < S- 0 0 65 -3,-2.6 -1,-0.3 1,-0.1 -2,-0.2 0.788 86.3-153.4 -59.9 -31.8 21.4 36.1 103.7 73 75 A A < + 0 0 25 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.1 0.845 45.0 123.8 61.2 41.7 23.9 38.1 105.8 74 76 A S S > S- 0 0 48 -4,-0.1 4,-0.9 1,-0.1 3,-0.3 -0.850 71.9-119.4-119.8 162.7 21.5 40.8 107.2 75 77 A F H > S+ 0 0 86 -2,-0.3 4,-2.2 1,-0.2 3,-0.3 0.868 116.0 61.7 -64.4 -36.7 20.7 41.8 110.9 76 78 A S H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.791 94.2 63.4 -58.7 -33.6 17.1 40.7 110.1 77 79 A T H > S+ 0 0 3 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.963 111.9 33.7 -55.6 -52.6 18.4 37.2 109.5 78 80 A L H X S+ 0 0 2 -4,-0.9 4,-2.3 -3,-0.3 5,-0.2 0.759 110.9 62.0 -82.5 -25.9 19.6 36.7 113.0 79 81 A D H X S+ 0 0 60 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.904 111.7 43.7 -58.7 -40.7 16.8 38.9 114.6 80 82 A I H X S+ 0 0 53 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.918 115.9 41.6 -75.2 -48.5 14.5 36.2 113.1 81 83 A M H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 45,-0.2 0.928 118.2 50.0 -64.0 -44.3 16.4 33.0 114.0 82 84 A S H < S+ 0 0 0 -4,-2.3 44,-2.2 1,-0.2 -2,-0.2 0.895 116.8 41.3 -50.7 -49.7 17.1 34.5 117.5 83 85 A S H < S+ 0 0 63 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.846 122.5 35.7 -75.0 -39.9 13.5 35.4 118.0 84 86 A R H >< S+ 0 0 90 -4,-2.3 3,-2.0 1,-0.2 4,-0.3 0.734 96.3 76.6 -96.0 -29.2 11.8 32.4 116.7 85 87 A L G ><>S+ 0 0 2 -4,-2.4 3,-1.9 -5,-0.3 5,-1.6 0.814 83.3 69.7 -53.6 -34.3 14.2 29.5 117.7 86 88 A P G > 5S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.756 85.5 71.2 -56.6 -17.6 12.9 29.5 121.3 87 89 A E G < 5S+ 0 0 60 -3,-2.0 288,-0.3 1,-0.3 -2,-0.2 0.705 100.4 44.5 -71.8 -20.8 9.6 28.2 120.0 88 90 A E G < 5S- 0 0 0 -3,-1.9 232,-1.5 -4,-0.3 -1,-0.3 0.249 129.1 -97.3-105.3 12.5 11.2 24.8 119.3 89 91 A G T < 5S+ 0 0 1 -3,-1.3 -32,-2.4 1,-0.3 2,-0.4 0.462 78.7 141.3 91.8 5.9 13.0 24.9 122.8 90 92 A T E < +i 57 0B 0 -5,-1.6 -1,-0.3 -34,-0.2 -32,-0.2 -0.696 20.9 168.7 -86.2 124.8 16.3 26.2 121.4 91 93 A T E + 0 0 1 -34,-2.4 36,-2.8 -2,-0.4 2,-0.3 0.471 69.8 21.5-115.1 -14.5 18.1 28.8 123.6 92 94 A S E +ij 58 127B 0 -35,-1.3 -33,-2.0 34,-0.3 -1,-0.3 -0.969 66.7 171.4-152.3 156.9 21.5 28.8 121.8 93 95 A F E -ij 59 128B 0 34,-2.2 36,-2.7 -2,-0.3 37,-0.7 -0.960 34.2-121.7-155.9 161.2 22.7 27.9 118.3 94 96 A L E - 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