==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAR-00 1C7T . COMPND 2 MOLECULE: BETA-N-ACETYLHEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR G.PRAG,Y.PAPANIKOLAU,G.TAVLAS,C.E.VORGIAS,K.PETRATOS, . 858 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 68 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 4 1 2 1 4 0 1 0 0 3 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 2 4 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 5 2 1 5 0 2 0 0 1 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 3 0 3 1 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 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 28 A D > 0 0 102 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-172.0 -3.6 39.3 -5.3 2 29 A Q H > + 0 0 58 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.882 360.0 58.7 -64.5 -35.9 -5.3 39.1 -1.9 3 30 A Q H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 107.3 47.0 -60.3 -41.5 -6.6 35.6 -2.6 4 31 A L H > S+ 0 0 9 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.875 112.9 48.3 -65.3 -44.2 -3.1 34.4 -3.1 5 32 A V H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.865 111.9 51.5 -63.9 -35.3 -1.9 36.1 0.1 6 33 A D H X S+ 0 0 39 -4,-3.1 4,-0.6 2,-0.2 -2,-0.2 0.870 110.3 48.2 -68.4 -43.4 -4.8 34.6 1.9 7 34 A Q H >< S+ 0 0 48 -4,-2.3 3,-1.9 -5,-0.3 4,-0.4 0.981 111.5 48.9 -58.2 -53.8 -3.9 31.2 0.6 8 35 A L H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.892 102.0 64.1 -52.8 -36.4 -0.3 31.5 1.6 9 36 A S H 3< S+ 0 0 18 -4,-1.9 127,-2.3 1,-0.3 128,-0.3 0.731 99.6 55.1 -62.6 -20.4 -1.3 32.7 5.1 10 37 A Q T << S+ 0 0 124 -3,-1.9 39,-0.4 -4,-0.6 -1,-0.3 0.499 79.9 108.8 -96.7 -0.1 -2.8 29.4 5.7 11 38 A L < - 0 0 2 -3,-2.3 2,-0.6 -4,-0.4 126,-0.5 -0.415 69.5-129.9 -64.5 148.0 0.3 27.3 4.9 12 39 A K E -A 47 0A 120 35,-2.8 35,-2.5 124,-0.1 2,-0.3 -0.905 18.0-145.3-104.2 125.4 1.7 25.8 8.1 13 40 A L E -A 46 0A 0 -2,-0.6 2,-0.4 33,-0.2 33,-0.2 -0.611 16.7-178.9 -91.9 146.3 5.4 26.2 8.8 14 41 A N E -A 45 0A 56 31,-2.1 31,-3.0 -2,-0.3 2,-0.5 -0.987 7.6-164.8-133.3 132.5 7.6 23.7 10.4 15 42 A V E +Ab 44 147A 2 131,-2.1 133,-2.8 -2,-0.4 2,-0.4 -0.982 11.8 177.8-118.8 130.6 11.3 24.5 11.0 16 43 A K E -A 43 0A 88 27,-2.2 27,-3.4 -2,-0.5 2,-0.2 -0.995 29.2-125.0-140.2 126.4 13.6 21.6 11.9 17 44 A M E +A 42 0A 4 -2,-0.4 25,-0.2 25,-0.2 134,-0.1 -0.555 28.3 175.2 -65.7 132.9 17.4 21.6 12.5 18 45 A L E - 0 0 56 23,-2.7 2,-0.3 -2,-0.2 24,-0.2 0.764 67.9 -5.8-107.7 -46.3 19.1 19.1 10.2 19 46 A D E > -A 41 0A 32 22,-2.5 22,-2.6 1,-0.1 3,-0.7 -0.833 45.3-171.3-155.1 117.4 22.8 19.6 10.9 20 47 A N T 3 S+ 0 0 6 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.523 95.0 44.5 -84.4 -1.4 24.4 22.3 13.1 21 48 A R T >> + 0 0 33 1,-0.1 3,-1.9 20,-0.1 4,-0.6 -0.369 64.8 148.9-136.4 50.7 27.8 21.3 11.9 22 49 A A G X4>S+ 0 0 0 17,-1.2 5,-2.2 -3,-0.7 3,-0.8 0.829 72.8 58.7 -54.9 -33.8 27.3 21.0 8.2 23 50 A G G 345S+ 0 0 38 16,-0.8 3,-0.5 1,-0.3 -1,-0.3 0.652 101.1 54.4 -73.4 -17.9 30.9 22.0 7.5 24 51 A E G <45S+ 0 0 80 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.497 112.6 50.6 -85.1 -9.9 32.1 19.1 9.6 25 52 A N T <<5S- 0 0 99 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.191 127.8 -69.9-118.8 25.9 30.0 17.0 7.3 26 53 A G T 5S+ 0 0 79 -3,-0.5 2,-0.4 1,-0.4 -3,-0.2 0.257 88.4 121.6 110.1 -19.2 30.6 17.6 3.5 27 54 A V < - 0 0 21 -5,-2.2 2,-1.9 -6,-0.1 -1,-0.4 -0.769 60.9-136.2 -83.3 137.9 29.0 21.0 3.0 28 55 A D > + 0 0 100 -2,-0.4 4,-1.1 1,-0.2 3,-0.3 -0.558 33.0 170.0 -89.8 71.8 31.6 23.5 1.6 29 56 A a T >4>S+ 0 0 2 -2,-1.9 5,-2.3 8,-0.3 3,-0.5 0.843 72.7 58.8 -50.5 -38.1 30.5 26.3 3.9 30 57 A A G >45S+ 0 0 12 7,-0.3 505,-2.6 1,-0.3 3,-2.2 0.953 100.5 53.8 -61.0 -44.4 33.6 28.4 2.7 31 58 A A G 345S+ 0 0 58 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.770 106.0 56.3 -57.8 -29.2 32.5 28.3 -0.9 32 59 A L G <<5S- 0 0 50 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.366 121.8-103.6 -85.5 6.5 29.1 29.7 0.3 33 60 A G T < 5 + 0 0 10 -3,-2.2 2,-0.4 1,-0.2 501,-0.2 0.588 63.2 162.5 83.5 17.0 30.6 32.8 2.0 34 61 A A > < - 0 0 0 -5,-2.3 3,-2.3 499,-0.2 -1,-0.2 -0.560 45.9-109.5 -78.2 128.4 30.3 31.4 5.5 35 62 A D G > S- 0 0 22 -2,-0.4 3,-1.4 1,-0.3 76,-0.2 -0.215 102.4 -2.4 -51.0 123.4 32.4 33.2 8.2 36 63 A W G 3 S- 0 0 137 486,-2.6 -1,-0.3 1,-0.3 497,-0.2 0.758 121.6 -81.6 58.4 27.3 35.2 30.8 9.3 37 64 A A G < S+ 0 0 23 -3,-2.3 2,-0.5 485,-0.5 -7,-0.3 0.869 91.9 138.3 49.8 41.8 33.6 28.2 7.0 38 65 A S < + 0 0 34 -3,-1.4 73,-2.4 -9,-0.2 2,-0.3 -0.964 19.6 153.5-116.5 128.0 30.9 27.2 9.5 39 66 A a E - C 0 110A 3 -2,-0.5 -17,-1.2 71,-0.3 -16,-0.8 -0.904 25.3-144.9-149.6 164.9 27.3 26.6 8.3 40 67 A N E - C 0 109A 0 69,-2.7 69,-2.7 -2,-0.3 2,-0.4 -0.982 11.4-131.3-136.8 155.0 24.2 24.7 9.2 41 68 A R E +AC 19 108A 71 -22,-2.6 -23,-2.7 -2,-0.3 -22,-2.5 -0.912 26.3 175.9-111.3 136.0 21.4 22.9 7.4 42 69 A V E -AC 17 107A 0 65,-2.3 65,-2.4 -2,-0.4 2,-0.6 -0.980 23.4-132.8-137.5 147.5 17.8 23.5 8.4 43 70 A L E -AC 16 106A 9 -27,-3.4 -27,-2.2 -2,-0.3 2,-0.6 -0.879 11.7-166.2-109.3 118.7 14.5 22.3 6.9 44 71 A F E -AC 15 105A 16 61,-2.5 61,-3.1 -2,-0.6 2,-0.5 -0.939 12.6-169.3 -99.7 118.6 11.6 24.6 6.3 45 72 A T E -AC 14 104A 13 -31,-3.0 -31,-2.1 -2,-0.6 2,-0.6 -0.931 8.0-165.7-109.6 126.7 8.4 22.6 5.7 46 73 A L E -AC 13 103A 0 57,-2.7 57,-2.7 -2,-0.5 2,-0.4 -0.964 10.1-163.2-115.7 104.4 5.3 24.4 4.4 47 74 A S E -AC 12 102A 39 -35,-2.5 -35,-2.8 -2,-0.6 2,-0.6 -0.818 2.9-158.4 -91.4 135.3 2.2 22.2 4.7 48 75 A N E + C 0 101A 8 53,-3.9 52,-1.6 -2,-0.4 53,-0.6 -0.885 19.4 172.0-122.7 103.6 -0.9 23.0 2.8 49 76 A D + 0 0 138 -2,-0.6 2,-0.1 -39,-0.4 -1,-0.1 0.179 66.7 69.8 -88.3 12.0 -4.2 21.6 4.1 50 77 A G S S- 0 0 30 1,-0.3 50,-0.9 51,-0.1 51,-0.1 -0.409 99.5 -60.1-115.0-170.5 -6.1 23.7 1.5 51 78 A Q S S- 0 0 155 48,-0.2 -1,-0.3 1,-0.2 49,-0.1 -0.182 79.0 -63.9 -66.6 165.5 -6.6 23.6 -2.3 52 79 A A - 0 0 37 47,-0.1 2,-0.8 1,-0.1 -1,-0.2 -0.280 40.4-145.9 -53.1 139.2 -3.5 24.0 -4.5 53 80 A I B +E 97 0B 0 44,-2.6 44,-2.0 1,-0.2 -1,-0.1 -0.879 36.7 152.3-105.0 91.2 -1.6 27.3 -4.4 54 81 A D + 0 0 92 -2,-0.8 -1,-0.2 42,-0.2 42,-0.1 0.581 27.2 113.4-101.0 -4.2 -0.4 27.8 -7.9 55 82 A G - 0 0 34 1,-0.1 41,-0.1 2,-0.1 3,-0.1 -0.194 47.4-160.1 -61.5 158.4 -0.1 31.5 -8.4 56 83 A K + 0 0 121 1,-0.1 2,-2.1 39,-0.1 -1,-0.1 0.530 64.3 96.2-112.3 -14.3 3.5 32.9 -8.8 57 84 A D + 0 0 101 32,-0.1 71,-0.4 71,-0.0 2,-0.3 -0.490 67.1 106.2 -80.4 63.2 3.1 36.6 -7.9 58 85 A W - 0 0 5 -2,-2.1 2,-0.3 69,-0.2 69,-0.2 -0.973 46.6-166.8-144.0 158.9 4.2 36.3 -4.3 59 86 A V E -F 126 0C 21 67,-1.6 67,-1.9 -2,-0.3 2,-0.5 -0.994 12.2-156.0-131.5 139.9 6.9 36.9 -1.8 60 87 A I E -FG 125 88C 0 28,-2.7 28,-3.1 -2,-0.3 2,-0.4 -0.963 14.0-154.3-115.6 126.9 7.1 35.4 1.8 61 88 A Y E +FG 124 87C 12 63,-4.1 63,-2.2 -2,-0.5 2,-0.3 -0.794 19.3 166.7-101.6 146.8 9.1 37.4 4.2 62 89 A F E - G 0 86C 2 24,-2.3 24,-2.9 -2,-0.4 2,-0.3 -0.967 25.1-129.4-149.6 163.4 10.8 35.9 7.3 63 90 A H E + G 0 85C 3 -2,-0.3 57,-0.6 58,-0.3 22,-0.2 -0.877 26.6 163.1-113.6 152.2 13.4 36.9 9.8 64 91 A S - 0 0 12 20,-1.9 55,-0.1 -2,-0.3 4,-0.1 -0.919 39.6-138.2-161.0 145.0 16.5 35.2 11.0 65 92 A P S S+ 0 0 23 0, 0.0 2,-0.4 0, 0.0 54,-0.1 0.519 92.6 69.6 -80.9 -2.5 19.7 36.2 12.9 66 93 A R S S- 0 0 45 52,-0.2 2,-0.2 18,-0.1 45,-0.1 -0.935 87.7-118.2-117.1 143.2 21.6 34.1 10.5 67 94 A Q - 0 0 18 -2,-0.4 43,-2.4 1,-0.1 2,-0.3 -0.526 25.0-125.0 -80.6 137.1 22.2 34.7 6.8 68 95 A T E +D 109 0A 25 41,-0.2 41,-0.3 -2,-0.2 3,-0.1 -0.675 30.4 176.6 -77.3 129.1 20.8 32.2 4.3 69 96 A L E + 0 0 38 39,-3.6 2,-0.3 1,-0.4 40,-0.2 0.480 59.3 9.3-109.8 -23.2 23.6 30.9 2.1 70 97 A R E -D 108 0A 87 38,-1.2 38,-1.9 7,-0.0 2,-0.4 -0.929 54.9-146.4-155.9 157.1 22.0 28.3 -0.1 71 98 A V E -D 107 0A 33 -2,-0.3 36,-0.2 36,-0.2 34,-0.0 -0.997 6.2-162.9-133.3 125.4 18.5 26.8 -1.0 72 99 A D S S+ 0 0 58 34,-3.0 2,-0.5 -2,-0.4 35,-0.1 0.133 70.6 74.5-104.9 24.7 18.2 23.1 -1.8 73 100 A N S > S- 0 0 30 33,-0.3 3,-2.3 3,-0.2 -1,-0.0 -0.988 70.8-149.9-134.0 108.3 14.8 23.0 -3.5 74 101 A D T 3 S+ 0 0 107 -2,-0.5 19,-0.4 1,-0.3 20,-0.1 0.532 90.2 72.6 -68.4 1.7 15.1 24.4 -7.0 75 102 A Q T 3 S+ 0 0 45 18,-0.1 16,-2.5 17,-0.1 2,-0.3 0.582 101.9 46.1 -82.0 -9.3 11.5 25.6 -6.9 76 103 A F E < -H 90 0C 7 -3,-2.3 2,-0.3 14,-0.3 -3,-0.2 -0.892 58.3-170.5-134.5 158.5 12.5 28.4 -4.4 77 104 A K E -H 89 0C 105 12,-2.1 12,-2.6 -2,-0.3 2,-0.4 -0.960 10.4-151.1-142.1 152.1 15.2 31.0 -3.8 78 105 A I E +H 88 0C 30 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.991 14.5 176.0-128.5 142.6 15.9 33.3 -0.8 79 106 A A E -H 87 0C 45 8,-1.6 8,-2.8 -2,-0.4 2,-0.3 -0.885 26.2-116.4-135.7 167.1 17.5 36.8 -0.8 80 107 A H E -H 86 0C 64 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.815 18.3-177.5-103.6 138.8 18.3 39.4 1.9 81 108 A L - 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0 0 32 -16,-2.5 3,-2.2 -2,-0.2 -14,-0.0 -0.514 39.7 -87.1 -95.7-178.8 11.8 30.4 -9.1 92 119 A A T 3 S+ 0 0 101 1,-0.3 -17,-0.1 -2,-0.2 -16,-0.0 0.728 129.7 57.2 -62.4 -21.7 10.8 29.7 -12.7 93 120 A K T 3 S+ 0 0 131 -19,-0.4 -1,-0.3 2,-0.0 -18,-0.1 0.486 75.4 124.6 -87.4 -3.1 10.5 26.0 -11.8 94 121 A F < - 0 0 5 -3,-2.2 3,-0.1 -19,-0.2 -18,-0.1 -0.345 34.4-179.9 -55.8 132.4 8.0 26.6 -9.0 95 122 A S - 0 0 84 1,-0.4 -1,-0.1 -2,-0.1 2,-0.1 0.183 47.2 -89.2-123.9 20.3 5.0 24.4 -9.7 96 123 A G - 0 0 2 -21,-0.1 -1,-0.4 -41,-0.1 -42,-0.2 -0.081 39.1 -78.6 98.5 159.8 2.8 25.3 -6.7 97 124 A F B -E 53 0B 1 -44,-2.0 -44,-2.6 -3,-0.1 3,-0.1 -0.911 61.9-130.1 -95.3 100.9 2.2 24.1 -3.2 98 125 A P > - 0 0 45 0, 0.0 3,-1.7 0, 0.0 -50,-0.3 -0.205 26.6 -87.3 -60.1 148.0 0.0 21.1 -4.0 99 126 A A T 3 S+ 0 0 51 1,-0.3 -48,-0.2 -50,-0.1 -50,-0.2 -0.323 111.8 2.3 -57.2 128.7 -3.3 20.5 -2.2 100 127 A G T 3 S+ 0 0 57 -52,-1.6 2,-0.3 -50,-0.9 -1,-0.3 0.793 107.5 126.6 65.8 29.8 -2.8 18.6 1.0 101 128 A K E < -C 48 0A 117 -3,-1.7 -53,-3.9 -53,-0.6 2,-0.4 -0.855 57.0-137.9-122.1 162.7 1.0 18.5 0.6 102 129 A A E -C 47 0A 53 -2,-0.3 2,-0.4 -55,-0.3 -55,-0.3 -0.928 21.0-153.3-110.4 119.2 4.0 19.5 2.7 103 130 A V E -C 46 0A 16 -57,-2.7 -57,-2.7 -2,-0.4 2,-0.5 -0.932 8.9-145.0 -98.3 136.5 6.7 21.3 0.6 104 131 A E E -C 45 0A 113 -2,-0.4 -59,-0.2 -59,-0.2 -61,-0.0 -0.924 17.7-179.6-106.3 132.2 10.3 20.9 1.9 105 132 A I E -C 44 0A 1 -61,-3.1 -61,-2.5 -2,-0.5 2,-0.3 -0.926 9.6-169.6-132.9 80.3 12.7 23.8 1.5 106 133 A P E -C 43 0A 23 0, 0.0 -34,-3.0 0, 0.0 2,-0.3 -0.684 12.4-179.8 -67.3 140.9 16.1 22.8 3.0 107 134 A V E -CD 42 71A 2 -65,-2.4 -65,-2.3 -2,-0.3 2,-0.4 -0.940 27.3-129.2-140.3 162.2 18.5 25.7 3.3 108 135 A V E -CD 41 70A 0 -38,-1.9 -39,-3.6 -2,-0.3 -38,-1.2 -0.980 27.6-170.5-107.8 134.6 22.1 26.3 4.5 109 136 A A E -CD 40 68A 4 -69,-2.7 -69,-2.7 -2,-0.4 -41,-0.2 -0.816 28.5 -95.6-120.8 155.7 22.6 29.2 7.0 110 137 A E E S-C 39 0A 1 -43,-2.4 -71,-0.3 -2,-0.3 2,-0.2 -0.307 86.2 -11.9 -66.6 147.4 25.8 30.8 8.3 111 138 A Y S S- 0 0 44 -73,-2.4 2,-0.3 -76,-0.2 -2,-0.1 -0.442 101.0 -59.7 70.3-125.4 27.2 29.7 11.6 112 139 A W - 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