==== 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 17-OCT-08 2W1N . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR E.FICKO-BLEAN,K.J.GREGG,J.J.ADAMS,J.H.HEHEMANN,M.CZJZEK, . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 45.2 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 26 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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+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 . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 1 5 4 1 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 1 0 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 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 1 773 A A 0 0 101 0, 0.0 2,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 174.5 -42.1 -30.2 -1.2 2 774 A E - 0 0 163 29,-0.1 2,-0.5 30,-0.0 31,-0.1 0.487 360.0-137.7 -82.4 164.1 -41.4 -27.5 -0.6 3 775 A V + 0 0 29 -2,-0.1 2,-0.3 29,-0.1 29,-0.2 -0.717 29.3 166.5 -93.4 130.0 -37.7 -28.2 -0.3 4 776 A T E +A 31 0A 82 27,-1.3 27,-3.3 -2,-0.5 2,-0.3 -0.937 5.9 133.6-132.5 163.4 -35.7 -26.6 2.5 5 777 A G E -A 30 0A 10 -2,-0.3 119,-2.7 25,-0.3 2,-0.3 -0.989 30.8-127.9 179.0-178.2 -32.3 -27.1 4.0 6 778 A S E -Ab 29 124A 16 23,-2.3 22,-2.3 -2,-0.3 23,-1.6 -0.995 19.9-114.5-155.5 153.2 -29.0 -25.6 5.3 7 779 A V E -A 27 0A 4 117,-1.9 2,-0.3 -2,-0.3 20,-0.3 -0.489 21.4-141.3 -79.5 149.1 -25.3 -25.8 4.9 8 780 A S E -A 26 0A 31 18,-1.9 18,-1.8 -2,-0.2 2,-0.4 -0.874 14.2-171.9-106.4 146.6 -22.8 -26.9 7.5 9 781 A L E -A 25 0A 22 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.992 2.4-175.8-139.6 125.9 -19.4 -25.3 8.0 10 782 A E E +A 24 0A 90 14,-2.0 14,-2.1 -2,-0.4 2,-0.3 -0.997 17.3 143.3-126.0 126.3 -16.7 -26.7 10.4 11 783 A A - 0 0 9 -2,-0.4 2,-0.1 12,-0.2 12,-0.1 -0.983 51.9 -92.5-151.6 165.2 -13.4 -25.1 11.1 12 784 A L - 0 0 125 -2,-0.3 3,-0.0 10,-0.3 -2,-0.0 -0.469 37.3-125.3 -73.4 151.1 -10.9 -24.5 13.9 13 785 A E S S+ 0 0 114 117,-0.1 118,-2.2 -2,-0.1 2,-0.3 0.630 87.8 27.3 -77.3 -14.5 -11.5 -21.2 15.8 14 786 A E E +e 131 0B 100 116,-0.2 2,-0.3 89,-0.1 118,-0.2 -0.995 59.9 174.0-148.2 144.8 -8.0 -19.9 15.4 15 787 A V E -e 132 0B 15 116,-2.6 118,-2.8 -2,-0.3 2,-0.3 -0.970 24.3-125.6-148.9 153.3 -5.2 -20.4 12.9 16 788 A Q E > -e 133 0B 73 -2,-0.3 3,-2.3 116,-0.2 81,-0.3 -0.832 36.9 -88.2-105.9 147.3 -1.7 -18.7 12.5 17 789 A V T 3 S+ 0 0 28 116,-3.1 81,-0.2 -2,-0.3 3,-0.1 -0.127 115.0 31.1 -47.1 140.7 -0.2 -17.0 9.5 18 790 A G T 3 S+ 0 0 27 79,-2.4 2,-0.3 1,-0.3 -1,-0.3 0.184 99.5 109.8 89.5 -19.4 1.6 -19.4 7.2 19 791 A E < - 0 0 117 -3,-2.3 78,-3.3 78,-0.1 -1,-0.3 -0.682 64.4-131.4 -85.8 146.5 -0.8 -22.2 8.1 20 792 A N E - C 0 96A 74 -2,-0.3 2,-0.4 76,-0.3 76,-0.3 -0.634 18.9-156.5 -76.0 148.7 -3.4 -23.9 6.0 21 793 A I E - C 0 95A 6 74,-3.1 74,-3.0 -2,-0.2 2,-0.6 -0.986 9.8-137.8-128.1 142.9 -6.9 -24.4 7.4 22 794 A E E - C 0 94A 93 -2,-0.4 2,-0.8 72,-0.2 -10,-0.3 -0.900 12.0-159.5-103.8 117.8 -9.4 -27.0 6.2 23 795 A V E - C 0 93A 0 70,-2.9 70,-2.6 -2,-0.6 2,-0.6 -0.876 9.2-155.7-103.4 105.2 -12.9 -25.7 5.9 24 796 A G E -AC 10 92A 1 -14,-2.1 -14,-2.0 -2,-0.8 2,-0.4 -0.678 12.1-171.7 -86.8 119.7 -15.3 -28.7 5.9 25 797 A V E +AC 9 91A 0 66,-3.0 65,-2.5 -2,-0.6 66,-1.7 -0.916 17.2 140.0-116.5 138.4 -18.6 -28.0 4.2 26 798 A G E -AC 8 89A 0 -18,-1.8 -18,-1.9 -2,-0.4 2,-0.6 -0.714 54.9 -73.4-150.4-159.4 -21.7 -30.3 4.2 27 799 A I E -A 7 0A 2 61,-0.6 60,-2.4 58,-0.4 61,-0.3 -0.959 31.5-173.6-115.9 109.8 -25.5 -30.3 4.4 28 800 A D E S- 0 0 48 -22,-2.3 2,-0.3 -2,-0.6 -21,-0.2 0.948 73.4 -5.2 -66.3 -49.6 -26.7 -29.6 7.9 29 801 A E E -A 6 0A 100 -23,-1.6 -23,-2.3 57,-0.1 2,-0.3 -0.985 56.4-177.3-148.7 149.2 -30.3 -30.3 7.0 30 802 A L E -A 5 0A 43 -2,-0.3 2,-0.4 -25,-0.3 -25,-0.3 -0.907 10.2-165.4-152.8 124.9 -32.5 -31.1 3.9 31 803 A V E -A 4 0A 68 -27,-3.3 -27,-1.3 -2,-0.3 -29,-0.1 -0.944 67.1 -1.5-121.7 130.2 -36.2 -31.6 3.8 32 804 A N S S+ 0 0 103 -2,-0.4 2,-0.3 -29,-0.2 -1,-0.2 0.716 115.2 70.3 68.4 24.8 -38.4 -33.1 1.1 33 805 A A - 0 0 29 -3,-0.1 2,-0.4 -29,-0.1 -1,-0.1 -0.960 68.1-133.8-160.5 152.3 -35.5 -33.8 -1.3 34 806 A E - 0 0 119 -2,-0.3 2,-0.7 -3,-0.1 82,-0.2 -0.913 25.7-135.3-105.4 141.2 -32.5 -36.1 -1.8 35 807 A A + 0 0 3 49,-0.4 49,-3.6 -2,-0.4 80,-0.2 -0.859 34.4 161.3-104.3 107.6 -29.2 -34.4 -2.9 36 808 A F S S+ 0 0 68 78,-3.1 42,-2.2 -2,-0.7 2,-0.3 0.718 79.0 24.6 -91.6 -26.2 -27.3 -36.1 -5.6 37 809 A A E -FG 77 114B 29 77,-1.4 77,-2.2 40,-0.2 2,-0.4 -0.951 67.0-167.6-133.4 157.5 -25.3 -32.9 -6.3 38 810 A Y E -FG 76 113B 0 38,-2.7 38,-3.4 -2,-0.3 2,-0.4 -0.966 2.2-171.6-150.8 120.4 -24.5 -29.9 -4.1 39 811 A D E +FG 75 112B 46 73,-2.1 73,-2.3 -2,-0.4 2,-0.3 -0.958 14.9 159.6-116.6 140.7 -23.1 -26.6 -5.2 40 812 A F E -F 74 0B 0 34,-2.3 34,-3.1 -2,-0.4 2,-0.5 -0.967 32.1-131.3-153.2 161.6 -22.0 -23.9 -2.9 41 813 A T E -FG 73 109B 7 68,-2.1 68,-2.4 -2,-0.3 2,-0.5 -0.991 15.7-151.3-119.1 121.5 -19.8 -20.8 -2.8 42 814 A L E -FG 72 108B 0 30,-2.3 30,-2.3 -2,-0.5 2,-0.4 -0.860 14.1-162.6 -89.1 125.9 -17.2 -20.3 -0.0 43 815 A N E +FG 71 107B 26 64,-3.1 64,-1.9 -2,-0.5 2,-0.3 -0.897 17.3 158.6-109.2 139.9 -16.6 -16.6 0.7 44 816 A Y - 0 0 12 26,-2.2 2,-0.7 -2,-0.4 62,-0.1 -0.967 49.6 -88.7-152.7 160.3 -13.5 -15.4 2.7 45 817 A D >> - 0 0 62 60,-0.4 4,-3.2 -2,-0.3 3,-1.1 -0.675 31.9-154.6 -73.6 111.8 -11.4 -12.2 3.2 46 818 A E T 34 S+ 0 0 93 -2,-0.7 -1,-0.2 1,-0.2 24,-0.1 0.724 94.5 55.6 -63.0 -21.3 -8.8 -12.4 0.5 47 819 A N T 34 S+ 0 0 123 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.696 116.7 37.0 -79.1 -19.6 -6.5 -10.1 2.6 48 820 A A T <4 S+ 0 0 2 -3,-1.1 50,-3.1 1,-0.2 51,-1.0 0.793 126.2 24.1 -99.6 -38.5 -6.8 -12.7 5.4 49 821 A F E < -D 97 0A 1 -4,-3.2 2,-0.4 48,-0.2 -1,-0.2 -0.941 57.5-154.3-132.5 151.6 -6.9 -15.9 3.5 50 822 A E E -D 96 0A 97 46,-1.9 46,-3.4 -2,-0.3 2,-0.1 -0.987 29.4-114.0-122.0 140.1 -5.7 -17.4 0.1 51 823 A Y E +D 95 0A 48 -2,-0.4 44,-0.2 44,-0.2 3,-0.1 -0.435 36.3 167.8 -66.4 140.7 -7.3 -20.4 -1.6 52 824 A V E - 0 0 65 42,-2.4 2,-0.3 1,-0.4 43,-0.2 0.718 52.2 -49.2-113.3 -62.0 -5.2 -23.5 -1.9 53 825 A E E -D 94 0A 91 41,-1.0 41,-3.2 12,-0.0 -1,-0.4 -0.969 41.9-110.4-167.8 166.7 -7.3 -26.5 -3.0 54 826 A A E -D 93 0A 24 -2,-0.3 2,-0.4 39,-0.2 39,-0.2 -0.936 30.5-167.6-115.6 148.2 -10.4 -28.6 -2.4 55 827 A I E +D 92 0A 67 37,-2.8 37,-2.3 -2,-0.4 2,-0.3 -0.988 10.6 165.1-144.4 124.1 -10.3 -32.1 -1.0 56 828 A S - 0 0 42 -2,-0.4 35,-0.1 35,-0.2 6,-0.1 -0.878 33.1 -97.4-133.7 167.5 -12.8 -34.9 -0.7 57 829 A D > - 0 0 107 33,-0.3 3,-1.7 -2,-0.3 -1,-0.1 -0.221 50.3 -85.1 -75.5 172.8 -13.2 -38.6 -0.0 58 830 A D T 3 S+ 0 0 166 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.771 120.8 47.3 -49.6 -49.2 -13.6 -41.5 -2.6 59 831 A G T 3 S+ 0 0 23 19,-0.0 20,-2.3 2,-0.0 21,-0.5 0.177 101.1 75.7 -93.6 15.4 -17.3 -41.5 -3.2 60 832 A V E < -H 78 0B 17 -3,-1.7 2,-0.5 18,-0.2 18,-0.2 -0.995 65.0-153.4-123.3 130.2 -17.6 -37.7 -3.7 61 833 A F E -H 77 0B 110 16,-3.2 16,-2.6 -2,-0.4 2,-0.5 -0.894 15.0-164.0 -97.9 135.7 -16.5 -35.9 -6.9 62 834 A V E -H 76 0B 30 -2,-0.5 2,-0.7 14,-0.2 14,-0.2 -0.965 16.4-173.9-126.5 115.5 -15.5 -32.2 -6.3 63 835 A N E +H 75 0B 80 12,-3.2 12,-2.9 -2,-0.5 2,-0.5 -0.912 20.2 177.8 -99.2 104.0 -15.1 -29.6 -9.0 64 836 A A E +H 74 0B 27 -2,-0.7 2,-0.4 10,-0.2 10,-0.2 -0.921 3.3 169.7-109.7 128.8 -13.7 -26.6 -7.1 65 837 A K E -H 73 0B 96 8,-3.0 8,-3.4 -2,-0.5 2,-0.5 -0.997 35.0-118.8-135.2 141.0 -12.8 -23.3 -8.9 66 838 A K E -H 72 0B 65 -2,-0.4 6,-0.3 6,-0.3 3,-0.1 -0.630 17.7-170.1 -73.5 120.0 -11.9 -19.8 -7.8 67 839 A I E S- 0 0 80 4,-2.1 2,-0.3 -2,-0.5 -1,-0.2 0.941 75.0 -38.9 -67.0 -48.5 -14.5 -17.3 -9.1 68 840 A E E > S-H 71 0B 103 3,-1.4 3,-2.3 -3,-0.1 -1,-0.4 -0.911 89.5 -58.6-167.2 162.8 -12.1 -14.5 -7.9 69 841 A D T 3 S+ 0 0 107 -2,-0.3 -23,-0.2 1,-0.3 -19,-0.1 -0.364 130.2 29.8 -55.0 130.6 -9.9 -14.0 -4.8 70 842 A G T 3 S+ 0 0 3 -25,-0.1 -26,-2.2 -24,-0.1 2,-0.3 0.264 113.8 71.2 104.4 -10.6 -12.4 -14.3 -1.9 71 843 A K E < -FH 43 68B 84 -3,-2.3 -4,-2.1 -28,-0.2 -3,-1.4 -0.949 52.4-178.0-148.7 116.9 -14.8 -16.6 -3.6 72 844 A V E -FH 42 66B 0 -30,-2.3 -30,-2.3 -2,-0.3 2,-0.6 -0.970 18.4-144.9-120.3 124.9 -14.5 -20.3 -4.6 73 845 A R E -FH 41 65B 43 -8,-3.4 -8,-3.0 -2,-0.5 2,-0.5 -0.834 18.5-166.5 -87.5 126.0 -17.3 -22.2 -6.4 74 846 A V E -FH 40 64B 0 -34,-3.1 -34,-2.3 -2,-0.6 2,-0.6 -0.945 9.6-168.0-121.0 122.7 -17.5 -25.8 -5.3 75 847 A L E -FH 39 63B 57 -12,-2.9 -12,-3.2 -2,-0.5 2,-0.4 -0.945 11.1-168.8-108.6 114.3 -19.5 -28.5 -7.2 76 848 A V E -FH 38 62B 0 -38,-3.4 -38,-2.7 -2,-0.6 2,-0.4 -0.897 5.7-178.6-106.8 132.7 -20.0 -31.7 -5.2 77 849 A S E -FH 37 61B 44 -16,-2.6 -16,-3.2 -2,-0.4 -40,-0.2 -0.995 27.2-123.7-133.1 129.5 -21.4 -34.9 -6.8 78 850 A S E - 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