==== 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 19-FEB-07 2JH2 . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR S.CHITAYAT,K.GREGG,J.J.ADAMS,E.FICKO-BLEAN,E.A.BAYER,A.B.BOR . 397 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 50.4 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 . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 0.3 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 . 50 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 2 1 4 13 3 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 0 0 3 1 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 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 7 A E 0 0 156 0, 0.0 2,-0.6 0, 0.0 189,-0.0 0.000 360.0 360.0 360.0 139.0 -22.1 64.2 83.4 2 8 A V + 0 0 12 29,-0.1 2,-0.3 27,-0.0 29,-0.2 -0.875 360.0 167.8 -99.7 114.4 -20.3 65.8 80.5 3 9 A T E +A 30 0A 39 27,-0.7 27,-2.9 -2,-0.6 2,-0.3 -0.777 3.9 139.1-118.5 168.8 -16.8 67.1 81.3 4 10 A G E -A 29 0A 11 25,-0.3 119,-2.6 -2,-0.3 2,-0.3 -0.951 28.5-133.7 172.5 170.7 -13.9 68.4 79.3 5 11 A S E -Ab 28 123A 35 23,-1.9 22,-1.7 -2,-0.3 23,-1.2 -0.953 25.0-101.8-144.8 167.0 -11.1 70.9 78.9 6 12 A V E -A 26 0A 7 117,-2.4 2,-0.4 -2,-0.3 20,-0.3 -0.546 22.6-143.7 -91.0 145.3 -9.5 73.1 76.3 7 13 A S E -A 25 0A 20 18,-2.3 18,-2.2 -2,-0.2 2,-0.4 -0.903 16.3-173.5-105.8 142.4 -6.3 72.5 74.4 8 14 A L E -A 24 0A 27 -2,-0.4 2,-0.4 16,-0.2 16,-0.2 -0.956 2.7-178.1-139.5 117.1 -3.9 75.4 73.6 9 15 A E E +A 23 0A 97 14,-3.2 14,-3.8 -2,-0.4 2,-0.3 -0.970 16.8 140.8-119.5 131.0 -0.8 75.2 71.3 10 16 A A - 0 0 13 -2,-0.4 12,-0.1 12,-0.2 118,-0.1 -0.972 54.7 -90.4-157.3 152.1 1.7 78.0 70.6 11 17 A L - 0 0 121 -2,-0.3 119,-0.1 10,-0.2 3,-0.1 -0.375 32.5-129.5 -63.8 147.2 5.4 78.3 70.2 12 18 A E S S+ 0 0 122 1,-0.2 118,-2.0 117,-0.1 2,-0.3 0.654 91.6 29.3 -69.4 -16.1 7.2 79.2 73.5 13 19 A E E +e 130 0B 107 116,-0.2 2,-0.3 118,-0.0 118,-0.2 -0.994 64.8 174.6-154.3 133.7 9.0 82.0 71.7 14 20 A V E -e 131 0B 5 116,-2.5 118,-2.9 -2,-0.3 2,-0.3 -0.973 26.8-117.0-143.4 153.3 8.3 84.3 68.8 15 21 A Q E > -e 132 0B 78 -2,-0.3 3,-1.8 116,-0.2 81,-0.3 -0.712 36.6 -99.7 -94.8 142.9 10.0 87.4 67.2 16 22 A V T 3 S+ 0 0 45 116,-1.9 81,-0.2 -2,-0.3 3,-0.1 -0.367 113.3 28.0 -55.0 128.3 8.5 90.9 66.9 17 23 A G T 3 S+ 0 0 43 79,-2.5 2,-0.3 1,-0.4 -1,-0.3 0.529 102.3 104.9 89.1 8.0 7.0 91.3 63.4 18 24 A E S < S- 0 0 101 -3,-1.8 78,-2.1 78,-0.1 -1,-0.4 -0.881 73.8-109.4-114.5 152.5 6.3 87.6 63.1 19 25 A N E - C 0 95A 66 -2,-0.3 2,-0.6 76,-0.2 76,-0.2 -0.640 19.5-152.2 -83.2 134.2 2.9 85.9 63.3 20 26 A L E - C 0 94A 1 74,-3.5 74,-3.0 -2,-0.3 2,-1.0 -0.937 7.6-153.5-100.5 119.5 2.0 83.6 66.3 21 27 A E E - C 0 93A 85 -2,-0.6 2,-0.8 72,-0.2 72,-0.2 -0.825 8.1-157.9 -95.7 101.7 -0.5 81.0 65.3 22 28 A V E - C 0 92A 0 70,-2.9 70,-3.2 -2,-1.0 2,-0.7 -0.745 10.7-151.6 -85.6 111.9 -2.3 80.2 68.6 23 29 A G E -AC 9 91A 0 -14,-3.8 -14,-3.2 -2,-0.8 2,-0.3 -0.774 14.2-171.1 -97.8 112.0 -3.8 76.8 68.0 24 30 A V E +AC 8 90A 0 66,-2.8 65,-2.6 -2,-0.7 66,-1.8 -0.795 19.3 129.8-110.4 139.9 -6.9 76.0 69.9 25 31 A G E -AC 7 88A 0 -18,-2.2 -18,-2.3 -2,-0.3 2,-0.5 -0.782 55.8 -70.7-157.9-159.3 -8.8 72.7 70.3 26 32 A I E -A 6 0A 2 61,-0.5 60,-3.1 58,-0.4 61,-0.4 -0.978 30.4-175.0-118.3 121.3 -10.3 70.2 72.7 27 33 A D E S- 0 0 64 -22,-1.7 2,-0.3 -2,-0.5 -21,-0.2 0.884 72.8 -2.8 -80.1 -41.7 -8.0 68.2 74.9 28 34 A E E +A 5 0A 96 -23,-1.2 -23,-1.9 57,-0.1 -1,-0.3 -0.985 57.3 179.9-153.0 140.7 -10.5 65.9 76.5 29 35 A L E -A 4 0A 35 -2,-0.3 2,-0.4 -25,-0.2 3,-0.3 -0.792 12.4-161.8-153.3 113.5 -14.3 65.6 76.3 30 36 A V E +A 3 0A 51 -27,-2.9 -27,-0.7 -2,-0.3 3,-0.1 -0.754 68.1 3.0-102.3 136.6 -16.2 63.0 78.3 31 37 A N S S+ 0 0 119 -2,-0.4 2,-0.3 -29,-0.2 -1,-0.2 0.551 118.5 57.0 68.6 12.8 -19.8 61.7 77.7 32 38 A A - 0 0 18 -3,-0.3 2,-0.4 -29,-0.2 -1,-0.1 -0.990 67.6-130.9-158.8 164.5 -20.4 63.8 74.5 33 39 A E - 0 0 111 -2,-0.3 2,-0.4 -3,-0.1 82,-0.4 -0.946 26.6-131.4-114.4 143.7 -19.2 64.7 71.1 34 40 A A B +K 83 0C 1 49,-0.5 49,-3.3 -2,-0.4 80,-0.2 -0.814 34.7 161.1 -96.9 132.5 -18.7 68.3 69.9 35 41 A F S S+ 0 0 66 78,-2.9 42,-3.1 -2,-0.4 2,-0.3 0.460 79.9 37.2-115.6 -15.8 -20.1 69.5 66.6 36 42 A A E -FG 76 113B 41 77,-1.3 77,-2.3 40,-0.2 2,-0.4 -0.984 66.8-172.4-137.0 147.1 -19.8 73.1 67.8 37 43 A Y E -FG 75 112B 4 38,-3.5 38,-4.2 -2,-0.3 2,-0.4 -0.996 0.4-172.6-146.5 128.3 -17.1 74.7 69.9 38 44 A D E +FG 74 111B 43 73,-2.7 73,-2.5 -2,-0.4 2,-0.3 -0.995 18.8 148.9-131.3 125.9 -17.2 78.3 71.3 39 45 A F E -F 73 0B 0 34,-2.6 34,-3.6 -2,-0.4 2,-0.4 -0.939 34.3-129.7-150.3 169.1 -14.3 79.9 73.0 40 46 A T E -FG 72 108B 5 68,-1.7 68,-2.2 -2,-0.3 2,-0.6 -0.995 13.1-148.3-129.8 128.7 -12.5 83.2 73.8 41 47 A L E -FG 71 107B 0 30,-3.4 30,-2.5 -2,-0.4 2,-0.5 -0.861 12.2-166.2 -95.7 122.4 -8.8 84.0 73.4 42 48 A N E +FG 70 106B 33 64,-3.4 64,-2.0 -2,-0.6 2,-0.3 -0.923 16.5 161.7-103.8 130.8 -7.3 86.5 75.8 43 49 A Y E - G 0 105B 13 26,-1.2 2,-0.9 -2,-0.5 62,-0.2 -0.938 49.5 -93.1-139.4 163.4 -3.9 88.0 75.0 44 50 A D >> - 0 0 62 60,-0.7 4,-2.2 -2,-0.3 3,-1.9 -0.710 34.4-158.9 -80.7 105.0 -2.0 91.1 76.1 45 51 A E T 34 S+ 0 0 84 -2,-0.9 -1,-0.2 1,-0.3 24,-0.1 0.645 88.7 61.0 -65.3 -20.0 -2.9 93.6 73.5 46 52 A N T 34 S+ 0 0 124 1,-0.1 -1,-0.3 22,-0.1 3,-0.1 0.682 114.8 37.0 -75.9 -18.0 0.2 95.8 74.2 47 53 A A T <4 S+ 0 0 2 -3,-1.9 50,-2.8 1,-0.2 51,-1.4 0.783 125.6 27.9 -97.4 -38.1 2.2 92.7 73.2 48 54 A F E < -D 96 0A 1 -4,-2.2 2,-0.4 48,-0.2 48,-0.2 -0.842 56.5-153.3-124.5 157.5 0.1 91.4 70.4 49 55 A E E -D 95 0A 86 46,-1.9 46,-3.3 -2,-0.3 2,-0.2 -1.000 30.1-116.2-127.0 138.2 -2.4 92.4 67.7 50 56 A Y E +D 94 0A 39 -2,-0.4 44,-0.2 44,-0.2 3,-0.1 -0.466 34.2 170.7 -68.5 133.9 -5.1 90.2 66.3 51 57 A V E - 0 0 56 42,-2.8 2,-0.3 1,-0.4 43,-0.2 0.799 53.7 -50.2-105.1 -59.5 -4.7 89.4 62.6 52 58 A E E -D 93 0A 96 41,-1.0 41,-2.9 2,-0.0 2,-0.4 -0.973 39.5-115.9-169.2 170.0 -7.2 86.6 61.7 53 59 A A E +D 92 0A 19 -2,-0.3 2,-0.3 39,-0.2 39,-0.2 -0.997 33.3 175.6-124.7 128.7 -8.6 83.2 62.6 54 60 A I E -D 91 0A 70 37,-2.1 37,-3.3 -2,-0.4 2,-0.1 -0.901 24.8-114.9-130.3 159.1 -8.3 80.2 60.3 55 61 A S E -D 90 0A 37 -2,-0.3 35,-0.2 35,-0.2 34,-0.1 -0.299 19.0-126.1 -82.2 168.7 -9.2 76.5 60.3 56 62 A D S S- 0 0 79 33,-1.3 34,-0.1 32,-0.1 -1,-0.1 0.155 77.6 -83.2-101.2 8.9 -6.9 73.5 60.2 57 63 A D S S+ 0 0 151 32,-0.3 -2,-0.1 2,-0.2 32,-0.1 -0.430 111.0 55.5 146.5 -44.8 -9.1 72.5 57.3 58 64 A G S S+ 0 0 29 2,-0.1 20,-1.0 -2,-0.0 2,-0.2 0.242 92.4 72.6-101.4 13.1 -12.5 70.8 57.6 59 65 A V E S-H 77 0B 22 30,-0.2 2,-0.5 18,-0.2 18,-0.2 -0.767 78.5-105.8-128.1 165.4 -14.4 73.1 59.9 60 66 A F E -H 76 0B 105 16,-3.2 16,-1.8 -2,-0.2 2,-0.5 -0.828 33.1-172.5 -91.9 127.8 -16.1 76.6 60.1 61 67 A V E +H 75 0B 24 -2,-0.5 2,-0.5 14,-0.2 14,-0.2 -0.968 7.6 173.8-124.5 116.3 -14.1 79.2 62.0 62 68 A N E -H 74 0B 70 12,-2.4 12,-3.0 -2,-0.5 2,-0.3 -0.982 7.6-175.9-121.5 122.5 -15.6 82.6 62.8 63 69 A A E -H 73 0B 21 -2,-0.5 2,-0.3 10,-0.2 10,-0.2 -0.767 7.6-172.1-112.6 161.0 -13.8 85.1 65.0 64 70 A K E -H 72 0B 138 8,-1.6 8,-2.3 -2,-0.3 2,-0.7 -0.909 24.2-130.4-154.4 120.6 -14.8 88.5 66.3 65 71 A K E -H 71 0B 87 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.647 20.4-177.1 -72.7 112.5 -12.7 91.0 68.2 66 72 A I E S- 0 0 91 4,-1.9 2,-0.3 -2,-0.7 -1,-0.2 0.886 72.5 -32.1 -75.3 -43.6 -14.7 92.1 71.3 67 73 A E E > S-H 70 0B 120 3,-1.3 3,-2.0 -3,-0.1 -1,-0.4 -0.934 90.7 -58.3-157.9 171.8 -11.9 94.5 72.2 68 74 A D T 3 S+ 0 0 104 -2,-0.3 -23,-0.2 1,-0.3 -22,-0.1 -0.420 129.2 21.2 -53.9 128.3 -8.1 94.7 71.9 69 75 A G T 3 S+ 0 0 9 -25,-0.1 -26,-1.2 -24,-0.1 2,-0.3 0.597 111.8 86.5 83.3 12.5 -6.8 91.6 73.7 70 76 A K E < +FH 42 67B 70 -3,-2.0 -4,-1.9 -28,-0.2 -3,-1.3 -0.891 45.8 171.6-149.2 114.5 -10.1 89.6 73.4 71 77 A V E -FH 41 65B 0 -30,-2.5 -30,-3.4 -2,-0.3 2,-0.4 -0.981 17.1-155.0-126.8 119.4 -11.3 87.5 70.5 72 78 A R E -FH 40 64B 60 -8,-2.3 -8,-1.6 -2,-0.5 2,-0.4 -0.795 17.1-164.4 -90.5 132.7 -14.4 85.3 70.7 73 79 A V E -FH 39 63B 0 -34,-3.6 -34,-2.6 -2,-0.4 2,-0.5 -0.975 12.2-161.0-126.0 133.0 -14.3 82.3 68.3 74 80 A L E -FH 38 62B 76 -12,-3.0 -12,-2.4 -2,-0.4 2,-0.5 -0.958 10.9-174.0-112.4 121.5 -17.1 80.0 67.0 75 81 A V E +FH 37 61B 2 -38,-4.2 -38,-3.5 -2,-0.5 2,-0.3 -0.971 8.5 169.4-115.6 126.1 -16.0 76.6 65.6 76 82 A S E -FH 36 60B 43 -16,-1.8 -16,-3.2 -2,-0.5 -40,-0.2 -0.983 36.7-105.7-132.8 150.3 -18.6 74.3 64.0 77 83 A S E - 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