==== 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 10-SEP-08 3EGJ . COMPND 2 MOLECULE: N-ACETYLGLUCOSAMINE-6-PHOSPHATE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR J.OSIPIUK,N.MALTSEVA,J.STAM,W.F.ANDERSON,A.JOACHIMIAK,CENTER . 740 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 12.3 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 75 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 2 1 3 4 3 2 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 5 4 7 0 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 6 3 7 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 3 1 2 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 N 0 0 210 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -68.4 13.2 59.5 29.1 2 0 A A - 0 0 80 1,-0.1 25,-0.3 24,-0.1 2,-0.1 -0.385 360.0-100.4 -69.9 160.8 16.2 57.2 29.2 3 1 A M - 0 0 62 23,-0.1 41,-0.4 -2,-0.1 2,-0.3 -0.334 33.5-159.3 -73.9 164.6 15.8 53.9 27.2 4 2 A Y E -A 25 0A 39 21,-1.8 21,-3.2 39,-0.1 2,-0.5 -0.982 7.6-139.6-141.7 144.7 15.1 50.5 28.8 5 3 A A E -Ab 24 45A 0 39,-2.7 41,-3.1 -2,-0.3 2,-0.3 -0.890 8.7-139.0-105.7 134.2 15.7 47.0 27.5 6 4 A L E +Ab 23 46A 1 17,-3.2 17,-1.5 -2,-0.5 2,-0.3 -0.691 37.9 179.7 -78.7 145.4 13.3 44.0 27.9 7 5 A T E + b 0 47A 9 39,-2.8 41,-4.0 -2,-0.3 43,-0.2 -0.947 37.7 39.2-157.7 159.0 15.4 41.1 28.7 8 6 A N S S+ 0 0 65 13,-0.3 42,-1.9 -2,-0.3 43,-0.4 0.996 85.3 107.5 52.8 77.0 15.3 37.3 29.5 9 7 A C S S- 0 0 7 12,-0.5 2,-0.6 41,-0.2 12,-0.5 -0.991 74.7-101.2-168.3 162.2 12.6 36.1 27.0 10 8 A K E -e 52 0B 49 41,-2.0 43,-2.8 40,-0.3 2,-0.6 -0.829 44.5-151.4 -88.0 118.3 11.6 34.3 23.9 11 9 A I E -eF 53 18B 0 7,-3.0 7,-2.5 -2,-0.6 2,-1.0 -0.861 14.8-164.0-101.9 120.4 11.0 37.0 21.4 12 10 A Y E + F 0 17B 20 41,-3.2 5,-0.2 -2,-0.6 339,-0.1 -0.786 12.2 176.7 -95.2 88.2 8.5 36.5 18.6 13 11 A T - 0 0 9 3,-2.8 338,-1.7 -2,-1.0 -1,-0.2 0.657 53.1-108.9 -68.9 -15.9 9.5 39.4 16.2 14 12 A G S S+ 0 0 10 2,-0.5 -1,-0.1 336,-0.2 3,-0.1 0.037 117.4 47.2 106.9 -25.6 6.9 38.2 13.7 15 13 A N S S+ 0 0 87 1,-0.3 2,-0.3 336,-0.2 -3,-0.0 0.560 122.5 18.1-108.3 -26.7 9.7 37.0 11.4 16 14 A D - 0 0 89 312,-0.0 -3,-2.8 2,-0.0 2,-0.6 -0.999 59.7-134.9-146.0 149.9 11.7 35.1 14.0 17 15 A V E -F 12 0B 51 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.927 34.3-165.6-104.5 118.8 11.7 33.6 17.5 18 16 A L E -F 11 0B 34 -7,-2.5 -7,-3.0 -2,-0.6 2,-0.3 -0.884 13.4-166.6-114.3 131.5 14.8 34.7 19.3 19 17 A V S S+ 0 0 83 -2,-0.4 -9,-0.1 -9,-0.2 3,-0.1 -0.830 77.4 19.8-105.9 150.6 16.4 33.4 22.5 20 18 A K S S+ 0 0 108 -2,-0.3 16,-1.5 -11,-0.3 17,-0.3 0.895 101.8 107.4 61.0 39.2 19.1 35.2 24.4 21 19 A H E - C 0 35A 40 -12,-0.5 -12,-0.5 14,-0.3 -13,-0.3 -0.832 50.5-157.8-131.2 173.3 18.2 38.5 22.7 22 20 A A E - C 0 34A 0 12,-2.7 12,-1.8 -2,-0.3 2,-0.5 -0.957 15.2-123.1-146.4 166.8 16.5 41.6 24.1 23 21 A V E -AC 6 33A 0 -17,-1.5 -17,-3.2 -2,-0.3 2,-0.5 -0.970 14.2-155.0-118.2 125.6 14.6 44.7 22.9 24 22 A I E -AC 5 32A 15 8,-1.5 7,-2.5 -2,-0.5 8,-1.1 -0.819 15.6-159.9 -87.3 129.0 15.8 48.1 23.8 25 23 A I E -AC 4 30A 1 -21,-3.2 -21,-1.8 -2,-0.5 2,-0.5 -0.958 6.0-164.6-113.2 134.8 12.8 50.4 23.7 26 24 A N E > - C 0 29A 64 3,-4.1 3,-1.3 -2,-0.4 2,-0.6 -0.842 59.0 -55.0-123.2 97.5 13.3 54.2 23.3 27 25 A G T 3 S- 0 0 44 -2,-0.5 -23,-0.0 -25,-0.3 -25,-0.0 -0.657 123.2 -17.4 72.0-117.5 10.3 56.4 24.2 28 26 A D T 3 S+ 0 0 62 -2,-0.6 329,-3.0 347,-0.1 2,-0.3 0.319 127.8 78.5 -99.5 10.2 7.5 55.0 22.1 29 27 A K E < S-CD 26 356A 92 -3,-1.3 -3,-4.1 327,-0.3 2,-0.4 -0.853 77.8-118.5-126.9 152.1 9.8 53.2 19.7 30 28 A I E -C 25 0A 2 325,-2.6 324,-2.4 -2,-0.3 -5,-0.2 -0.736 25.2-172.9 -84.1 136.6 11.8 50.1 19.5 31 29 A E E - 0 0 83 -7,-2.5 2,-0.3 -2,-0.4 -6,-0.2 0.822 59.1 -15.4-101.9 -45.9 15.4 50.9 19.1 32 30 A A E -C 24 0A 30 -8,-1.1 -8,-1.5 320,-0.1 2,-0.5 -0.983 41.3-147.3-152.3 157.5 17.1 47.5 18.4 33 31 A V E +C 23 0A 42 -2,-0.3 -10,-0.2 -10,-0.2 320,-0.1 -0.974 49.2 143.1-121.6 115.6 16.4 43.8 18.7 34 32 A C E -C 22 0A 24 -12,-1.8 -12,-2.7 -2,-0.5 4,-0.1 -0.955 55.0 -65.1-154.3 167.7 19.8 42.3 19.5 35 33 A P E > -C 21 0A 38 0, 0.0 3,-0.6 0, 0.0 -14,-0.3 -0.316 49.0-120.4 -66.6 133.6 21.7 39.6 21.4 36 34 A I G > S+ 0 0 60 -16,-1.5 2,-2.7 1,-0.3 3,-2.2 0.850 109.0 63.8 -36.4 -58.2 21.4 40.1 25.1 37 35 A E G 3 S+ 0 0 129 -17,-0.3 -1,-0.3 1,-0.3 -16,-0.0 -0.103 92.6 65.3 -65.8 42.7 25.2 40.4 25.5 38 36 A S G < + 0 0 70 -2,-2.7 -1,-0.3 -3,-0.6 -2,-0.2 0.334 68.9 117.5-134.0 -9.1 25.3 43.6 23.4 39 37 A L S < S- 0 0 34 -3,-2.2 4,-0.0 -4,-0.2 -3,-0.0 -0.390 77.2 -98.4 -65.3 138.6 23.3 45.8 25.7 40 38 A P > - 0 0 78 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.193 39.7-100.6 -58.8 155.7 25.4 48.8 26.9 41 39 A S T 3 S+ 0 0 117 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 0.875 115.2 22.9 -44.0 -66.2 26.9 48.5 30.4 42 40 A E T 3 S+ 0 0 188 2,-0.0 2,-0.5 3,-0.0 -1,-0.3 -0.350 83.9 143.3-106.3 48.9 24.4 50.5 32.5 43 41 A M < - 0 0 21 -3,-1.7 -39,-0.1 -2,-0.1 -4,-0.0 -0.791 61.0-109.1 -76.3 123.7 21.5 50.3 30.2 44 42 A N - 0 0 112 -2,-0.5 -39,-2.7 -41,-0.4 2,-0.3 -0.304 45.0-160.9 -51.3 134.7 18.4 50.0 32.3 45 43 A V E -b 5 0A 82 -41,-0.2 2,-0.5 -21,-0.1 -39,-0.2 -0.949 23.7-157.7-132.7 148.4 16.9 46.5 32.1 46 44 A V E -b 6 0A 38 -41,-3.1 -39,-2.8 -2,-0.3 2,-0.5 -0.917 17.6-147.9-123.2 108.4 13.6 44.5 32.7 47 45 A D E -b 7 0A 95 -2,-0.5 -39,-0.2 -41,-0.2 -38,-0.1 -0.596 5.6-164.5 -73.9 117.2 14.0 40.8 33.2 48 46 A L > - 0 0 13 -41,-4.0 3,-2.6 -2,-0.5 -40,-0.2 0.198 39.1-119.4 -90.6 19.2 10.9 39.0 31.8 49 47 A N T 3 - 0 0 140 1,-0.3 -40,-0.1 -42,-0.2 -41,-0.1 0.864 67.4 -60.3 45.9 42.9 11.8 35.9 33.7 50 48 A G T 3 S+ 0 0 39 -42,-1.9 -40,-0.3 -43,-0.2 -1,-0.3 0.490 99.3 141.9 69.5 6.2 12.1 33.9 30.4 51 49 A A < - 0 0 15 -3,-2.6 -41,-2.0 -43,-0.4 2,-0.4 0.108 56.6 -79.7 -66.9-176.0 8.4 34.5 29.4 52 50 A N E -eG 10 362B 20 310,-3.3 310,-2.3 -43,-0.2 2,-0.5 -0.739 34.9-161.2 -95.4 139.9 7.2 35.2 25.9 53 51 A L E +eG 11 361B 0 -43,-2.8 -41,-3.2 -2,-0.4 308,-0.2 -0.973 23.2 151.4-120.0 115.0 7.4 38.6 24.2 54 52 A S E - G 0 360B 0 306,-1.9 306,-3.0 -2,-0.5 -41,-0.1 -0.855 53.6 -82.8-126.5 165.7 5.2 39.3 21.1 55 53 A P E - G 0 359B 5 0, 0.0 304,-0.3 0, 0.0 296,-0.1 -0.390 64.3 -86.0 -59.4 154.4 3.7 42.6 19.7 56 54 A G - 0 0 3 302,-3.4 35,-0.2 316,-0.2 293,-0.2 -0.328 53.8 -99.6 -57.1 145.1 0.5 43.5 21.5 57 55 A F E -j 91 0C 0 33,-2.5 35,-1.7 -3,-0.1 36,-1.5 -0.458 28.4-145.0 -72.6 140.9 -2.6 41.9 20.0 58 56 A I E -j 93 0C 2 276,-2.6 2,-0.6 34,-0.2 36,-0.2 -0.923 8.3-161.8-110.8 108.2 -4.8 43.9 17.6 59 57 A D E -j 94 0C 3 34,-1.8 36,-1.5 -2,-0.6 3,-0.1 -0.783 8.3-174.9 -85.8 112.7 -8.5 43.2 17.8 60 58 A L E S+ 0 0 0 -2,-0.6 2,-0.3 209,-0.4 -1,-0.1 0.532 77.9 45.2 -84.5 -7.0 -10.4 44.3 14.6 61 59 A Q E + 0 0 1 36,-0.1 211,-3.2 153,-0.0 212,-0.8 -0.888 65.3 141.4-142.0 111.6 -13.8 43.5 16.1 62 60 A L E -jk 96 273C 1 33,-0.9 35,-2.6 -2,-0.3 66,-0.1 -0.914 23.6-175.8-151.1 110.8 -14.7 44.4 19.7 63 61 A N - 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