==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 07-SEP-10 2XQX . COMPND 2 MOLECULE: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR D.W.ABBOTT,A.B.BORASTON . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13313.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 35.5 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 36 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 2 2 1 5 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 1 0 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 1 802 A A 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.7 55.8 94.2 6.7 2 803 A S + 0 0 91 143,-0.0 144,-0.5 2,-0.0 2,-0.5 0.670 360.0 92.0 -95.2 -20.5 54.7 93.0 10.1 3 804 A N B -A 145 0A 23 1,-0.1 142,-0.2 142,-0.1 140,-0.0 -0.677 59.1-166.9 -71.7 122.4 53.2 89.6 9.1 4 805 A I + 0 0 13 140,-2.5 49,-0.4 -2,-0.5 50,-0.2 0.313 66.4 82.4-103.2 8.3 56.2 87.3 9.5 5 806 A V > + 0 0 0 139,-0.4 3,-2.3 47,-0.1 -1,-0.2 0.902 63.0 99.6 -74.0 -43.5 54.8 84.2 7.7 6 807 A P T 3 S+ 0 0 51 0, 0.0 47,-0.2 0, 0.0 23,-0.1 -0.151 85.3 30.1 -53.0 136.9 55.6 85.3 4.1 7 808 A G T 3 S+ 0 0 59 1,-0.3 22,-0.1 45,-0.1 -2,-0.1 0.241 89.2 140.8 93.0 -11.4 58.8 83.5 2.9 8 809 A A < - 0 0 15 -3,-2.3 -1,-0.3 20,-0.2 2,-0.3 -0.301 45.5-133.9 -60.8 149.5 58.1 80.5 5.1 9 810 A T E -B 51 0A 83 42,-2.3 42,-2.7 -3,-0.1 2,-0.6 -0.817 12.4-120.5-105.7 145.6 58.9 77.1 3.7 10 811 A V E +B 50 0A 47 -2,-0.3 40,-0.2 40,-0.2 3,-0.1 -0.782 33.3 171.7 -85.4 118.7 56.6 74.0 3.9 11 812 A I E - 0 0 62 38,-2.6 2,-0.3 -2,-0.6 39,-0.2 0.617 63.3 -10.7-104.8 -17.4 58.6 71.3 5.7 12 813 A D E +B 49 0A 32 37,-1.4 37,-3.5 228,-0.1 -1,-0.4 -0.945 57.7 169.0-172.4 157.7 55.8 68.7 6.1 13 814 A S E -B 48 0A 16 -2,-0.3 35,-0.2 35,-0.3 228,-0.1 -0.944 39.0-121.0-163.0 169.9 52.1 68.1 5.7 14 815 A T S S+ 0 0 2 33,-1.8 31,-0.1 -2,-0.3 34,-0.1 -0.210 79.4 101.9-113.1 41.4 49.6 65.3 5.7 15 816 A F S S- 0 0 14 32,-0.1 -2,-0.1 31,-0.1 3,-0.1 -0.959 84.4 -97.4-121.8 140.4 48.3 66.0 2.2 16 817 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.290 47.2-105.3 -55.9 139.7 49.3 64.0 -0.9 17 818 A K + 0 0 124 -4,-0.1 2,-0.3 2,-0.0 226,-0.1 -0.546 59.3 163.9 -67.9 128.5 52.0 65.9 -2.7 18 819 A T - 0 0 116 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.882 34.5 -98.8-162.6 119.8 50.3 67.4 -5.7 19 820 A E - 0 0 196 -2,-0.3 2,-0.1 1,-0.1 3,-0.0 -0.701 54.6 -90.2 -74.4 127.8 50.7 70.0 -8.4 20 821 A G > + 0 0 59 -2,-0.4 3,-0.6 0, 0.0 2,-0.3 -0.985 61.1 127.3 173.4 2.3 49.5 72.5 -8.1 21 822 A G T 3 S+ 0 0 73 1,-0.2 19,-0.2 -2,-0.1 15,-0.0 -0.655 104.2 6.0 -77.3 137.9 46.8 75.1 -8.5 22 823 A E T 3 S+ 0 0 69 -2,-0.3 18,-2.1 14,-0.3 -1,-0.2 0.942 94.0 177.3 52.4 53.2 45.9 76.8 -5.1 23 824 A G X - 0 0 23 -3,-0.6 3,-2.2 16,-0.2 4,-0.3 -0.270 47.4 -87.5 -78.9 173.0 48.7 75.0 -3.3 24 825 A I G > S+ 0 0 20 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.810 122.8 68.8 -50.5 -37.6 49.6 75.4 0.4 25 826 A E G >> S+ 0 0 129 1,-0.3 3,-1.4 2,-0.2 4,-1.0 0.754 82.4 76.8 -60.4 -23.9 51.9 78.3 -0.5 26 827 A G G <4 S+ 0 0 12 -3,-2.2 5,-0.3 12,-0.3 -1,-0.3 0.811 95.0 46.8 -52.6 -36.5 48.8 80.3 -1.3 27 828 A X G <4 S+ 0 0 0 -3,-1.9 115,-3.3 -4,-0.3 -1,-0.3 0.520 106.5 59.8 -87.7 -3.7 48.1 80.9 2.4 28 829 A L T <4 S+ 0 0 7 -3,-1.4 -20,-0.2 -4,-0.4 -2,-0.2 0.732 85.2 74.5 -93.3 -22.6 51.6 81.8 3.2 29 830 A N S < S- 0 0 65 -4,-1.0 -1,-0.1 -3,-0.2 -2,-0.1 0.549 91.2-132.5 -76.1 -10.2 52.1 84.9 1.0 30 831 A G + 0 0 24 1,-0.2 2,-0.3 -3,-0.2 111,-0.1 0.535 67.7 109.0 79.4 7.2 49.9 87.2 3.1 31 832 A T - 0 0 66 -5,-0.3 -1,-0.2 109,-0.2 2,-0.2 -0.798 56.7-156.8-119.9 153.6 48.0 88.5 0.1 32 833 A I + 0 0 69 -2,-0.3 3,-0.1 1,-0.1 6,-0.1 -0.674 34.8 152.5-122.6 75.5 44.4 88.2 -1.3 33 834 A T - 0 0 108 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.789 67.1 -43.2 -73.2 -28.8 45.2 89.0 -5.0 34 835 A S S > S- 0 0 56 -3,-0.1 3,-1.9 0, 0.0 -1,-0.2 -0.924 81.6 -57.7 172.0 178.2 42.3 87.0 -6.5 35 836 A L T 3 S+ 0 0 109 1,-0.3 3,-0.2 -2,-0.3 34,-0.0 0.642 129.7 57.5 -60.4 -19.5 40.5 83.6 -6.1 36 837 A S T 3 S+ 0 0 74 1,-0.2 2,-0.6 -15,-0.0 -14,-0.3 0.468 81.4 87.1 -92.5 -6.2 43.8 81.8 -6.8 37 838 A D S < S+ 0 0 10 -3,-1.9 2,-0.3 32,-0.1 -1,-0.2 -0.293 81.3 72.8 -91.3 46.0 45.7 83.5 -3.9 38 839 A K S S- 0 0 5 -2,-0.6 2,-0.5 -3,-0.2 -12,-0.3 -0.883 82.6-107.3-138.5 173.3 44.6 80.8 -1.3 39 840 A W E +C 139 0A 8 100,-2.5 100,-2.9 -2,-0.3 2,-0.3 -0.954 40.0 174.7 -99.5 129.5 45.2 77.2 -0.3 40 841 A S E +C 138 0A 28 -18,-2.1 2,-0.3 -2,-0.5 98,-0.2 -0.989 4.1 177.2-131.5 141.0 42.4 74.9 -1.3 41 842 A S E -C 137 0A 26 96,-1.5 96,-2.5 -2,-0.3 -2,-0.0 -0.995 33.3-143.9-141.0 149.1 42.3 71.1 -0.9 42 843 A A S S+ 0 0 93 -2,-0.3 2,-0.7 94,-0.2 -1,-0.1 0.670 86.2 90.3 -79.0 -21.1 39.6 68.4 -1.6 43 844 A Q S S- 0 0 17 1,-0.1 94,-0.2 94,-0.1 -2,-0.1 -0.733 75.8-150.4 -76.2 116.9 41.0 66.6 1.5 44 845 A L + 0 0 56 -2,-0.7 84,-0.6 92,-0.1 2,-0.3 0.459 68.9 25.4 -77.9 -3.9 38.7 68.1 4.2 45 846 A S + 0 0 4 82,-0.1 2,-0.3 -31,-0.1 81,-0.2 -0.989 69.9 104.3-152.4 158.2 41.2 67.8 7.0 46 847 A G E - D 0 125A 2 79,-2.2 79,-3.3 -2,-0.3 2,-0.3 -0.864 49.6 -86.9 152.7 179.3 45.0 67.6 7.7 47 848 A S E - D 0 124A 3 -2,-0.3 -33,-1.8 77,-0.3 2,-0.4 -0.783 17.3-156.3-122.0 156.9 48.0 69.5 8.9 48 849 A V E -BD 13 123A 1 75,-2.6 75,-2.6 -2,-0.3 2,-0.5 -0.997 7.0-158.3-131.3 128.8 50.7 71.8 7.5 49 850 A D E -BD 12 122A 8 -37,-3.5 -38,-2.6 -2,-0.4 -37,-1.4 -0.944 17.2-176.8-107.1 122.2 54.2 72.3 9.1 50 851 A I E -BD 10 121A 0 71,-2.7 71,-2.4 -2,-0.5 2,-0.5 -0.867 20.7-146.4-118.2 153.6 56.0 75.5 8.1 51 852 A R E -BD 9 120A 111 -42,-2.7 -42,-2.3 -2,-0.3 69,-0.2 -0.975 22.7-137.7-118.0 115.3 59.5 76.9 8.9 52 853 A L E - 0 0 1 67,-2.8 -47,-0.1 -2,-0.5 -45,-0.1 -0.205 29.1-104.2 -65.6 162.1 59.6 80.7 9.2 53 854 A T E S- 0 0 84 -49,-0.4 -1,-0.1 -47,-0.2 -48,-0.1 0.809 103.5 -7.1 -59.1 -30.3 62.5 82.6 7.6 54 855 A K E S- 0 0 111 -50,-0.2 -1,-0.2 64,-0.1 64,-0.1 -0.972 94.2 -73.3-153.8 164.5 63.8 82.9 11.2 55 856 A P E - 0 0 75 0, 0.0 2,-0.3 0, 0.0 64,-0.3 -0.368 55.1-169.3 -58.6 139.7 62.6 82.2 14.8 56 857 A R E - D 0 118A 47 62,-2.1 62,-2.2 60,-0.1 2,-0.8 -0.945 28.6-127.9-132.6 154.4 60.0 84.7 15.9 57 858 A T E - D 0 117A 56 -2,-0.3 90,-0.5 60,-0.2 2,-0.3 -0.850 37.2-157.2-103.5 98.3 58.2 85.6 19.1 58 859 A V E + D 0 116A 0 58,-2.8 58,-2.2 -2,-0.8 88,-0.3 -0.581 32.0 158.5 -92.0 133.8 54.6 85.4 18.2 59 860 A V E + 0 0 31 86,-2.8 53,-3.1 -2,-0.3 2,-0.3 0.585 66.6 41.7-118.4 -21.1 51.8 87.2 20.0 60 861 A R E -ED 145 111A 81 85,-1.5 85,-2.1 51,-0.3 2,-0.4 -0.977 57.7-164.5-140.2 140.1 49.0 87.3 17.5 61 862 A W E -ED 144 110A 0 49,-2.8 49,-2.9 -2,-0.3 2,-0.4 -0.989 8.9-173.0-134.7 119.5 47.6 84.8 15.0 62 863 A V E -ED 143 109A 4 81,-2.8 81,-2.9 -2,-0.4 2,-0.5 -0.947 4.5-169.8-117.8 131.3 45.3 85.8 12.0 63 864 A X E -ED 142 108A 0 45,-2.3 45,-1.9 -2,-0.4 2,-0.8 -0.985 10.3-155.5-120.8 122.1 43.5 83.5 9.6 64 865 A D E -ED 141 107A 15 77,-2.4 76,-2.3 -2,-0.5 77,-1.3 -0.876 22.8-165.5 -93.0 109.8 41.8 84.7 6.5 65 866 A H E >> -E 139 0A 0 41,-2.6 4,-0.8 -2,-0.8 3,-0.7 -0.142 40.4 -79.5 -85.8-174.4 39.1 82.2 5.7 66 867 A A G >4>S+ 0 0 0 72,-0.6 5,-2.1 12,-0.4 3,-0.9 0.853 128.4 56.3 -59.2 -40.0 37.2 81.8 2.5 67 868 A G G >45S+ 0 0 6 1,-0.3 3,-1.3 3,-0.2 -1,-0.3 0.830 100.4 59.2 -62.5 -35.2 34.7 84.6 3.3 68 869 A A G <45S+ 0 0 33 38,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.758 106.0 49.7 -63.4 -25.9 37.6 87.0 3.7 69 870 A G G <<5S- 0 0 20 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.377 129.8 -94.3 -94.5 4.9 38.6 86.2 0.1 70 871 A G T < 5S+ 0 0 49 -3,-1.3 2,-0.6 1,-0.2 3,-0.3 0.652 81.9 132.2 95.4 17.6 35.1 86.8 -1.2 71 872 A E S S+ 0 0 34 -2,-0.6 4,-2.5 5,-0.1 3,-0.5 0.934 81.4 170.2 57.9 48.8 30.3 82.8 0.4 73 874 A V T 4 + 0 0 82 -3,-0.3 -2,-0.1 1,-0.2 33,-0.1 0.755 66.7 52.1 -61.8 -30.3 30.5 86.3 1.9 74 875 A N T 4 S+ 0 0 137 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.788 124.2 19.3 -78.4 -33.3 26.9 86.4 3.1 75 876 A D T 4 S- 0 0 67 -3,-0.5 -2,-0.2 -8,-0.0 -1,-0.1 0.658 80.8-138.8-119.0 -20.5 26.7 83.2 5.1 76 877 A G >< + 0 0 3 -4,-2.5 3,-1.9 1,-0.1 54,-0.2 0.657 53.5 141.2 68.7 17.7 30.3 82.0 5.9 77 878 A L T 3 S+ 0 0 48 1,-0.3 53,-2.4 -5,-0.2 55,-1.2 0.684 70.6 52.1 -66.2 -17.5 29.4 78.4 5.2 78 879 A X T 3 S+ 0 0 21 -6,-0.3 -12,-0.4 -7,-0.2 -1,-0.3 0.368 84.8 117.5 -96.9 2.0 32.8 77.9 3.6 79 880 A N S < S- 0 0 0 -3,-1.9 27,-0.1 25,-0.2 60,-0.1 -0.540 76.8-101.4 -80.6 134.7 34.7 79.3 6.7 80 881 A T - 0 0 0 58,-0.3 48,-0.2 -2,-0.3 49,-0.2 -0.226 39.0-174.2 -51.5 136.1 37.1 77.0 8.5 81 882 A K + 0 0 75 46,-2.1 22,-2.3 1,-0.3 2,-0.5 0.870 63.4 24.3-104.8 -53.8 35.4 75.8 11.7 82 883 A D E S+F 127 0A 23 45,-1.6 44,-2.2 19,-0.2 45,-2.1 -0.987 72.8 140.8-121.6 126.8 37.8 73.8 13.8 83 884 A F E -FG 125 100A 0 17,-1.9 17,-1.5 -2,-0.5 2,-0.3 -0.929 27.5-154.6-167.3 141.2 41.5 74.3 13.5 84 885 A D E -FG 124 99A 1 40,-2.3 40,-2.4 -2,-0.3 2,-0.5 -0.885 9.6-139.1-126.8 152.7 44.5 74.5 15.9 85 886 A L E -FG 123 98A 0 13,-3.3 12,-3.1 -2,-0.3 13,-2.0 -0.946 22.6-178.8-113.4 130.6 48.0 76.1 15.9 86 887 A Y E -FG 122 96A 7 36,-2.7 36,-2.6 -2,-0.5 2,-0.3 -0.847 8.9-156.9-121.5 158.8 51.0 74.2 17.3 87 888 A Y E -FG 121 95A 35 8,-2.8 8,-3.2 -2,-0.3 2,-0.6 -0.972 20.6-120.5-135.2 149.1 54.6 75.2 17.7 88 889 A K E - G 0 94A 66 32,-2.4 31,-0.3 -2,-0.3 32,-0.3 -0.827 32.9-145.7 -90.0 123.7 57.8 73.2 17.9 89 890 A D > - 0 0 20 4,-2.9 3,-1.7 -2,-0.6 29,-0.1 -0.217 30.7 -92.3 -79.3 174.1 59.6 73.9 21.2 90 891 A A T 3 S+ 0 0 114 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.826 125.5 56.1 -56.0 -37.5 63.5 74.0 21.8 91 892 A D T 3 S- 0 0 147 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.547 123.2-105.5 -72.4 -7.9 63.6 70.3 22.8 92 893 A G S < S+ 0 0 29 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.607 76.8 134.4 94.2 14.4 62.0 69.5 19.4 93 894 A E - 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