==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 04-DEC-06 2O4E . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR S.CHITAYAT,J.J.ADAMS,K.GREGG,A.B.BORASTON,S.P.SMITH . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 50.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 20.6 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0.6 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 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 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 . 3 0 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 238 0, 0.0 2,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.4 -23.8 -19.0 -10.5 2 2 A G + 0 0 84 2,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.594 360.0 144.7 -98.9 73.3 -24.3 -19.4 -6.8 3 3 A S - 0 0 106 -2,-1.1 2,-0.3 1,-0.1 0, 0.0 -0.500 55.8 -83.9-102.7 173.9 -21.5 -17.4 -5.4 4 4 A S + 0 0 119 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.626 52.5 171.7 -81.6 133.0 -21.2 -15.2 -2.3 5 5 A H - 0 0 114 -2,-0.3 3,-0.1 3,-0.1 -1,-0.0 -0.773 31.4-161.4-132.2 176.8 -22.5 -11.6 -2.6 6 6 A H + 0 0 130 -2,-0.2 2,-0.3 1,-0.1 3,-0.1 -0.010 67.7 69.5-152.4 33.5 -23.3 -8.6 -0.4 7 7 A H S S- 0 0 164 1,-0.2 -1,-0.1 3,-0.0 3,-0.0 -0.979 88.5 -6.7-156.7 142.0 -25.6 -6.4 -2.5 8 8 A H S S+ 0 0 169 -2,-0.3 -1,-0.2 -3,-0.1 -3,-0.1 0.132 90.9 67.4 60.4 175.9 -29.2 -6.6 -3.7 9 9 A H - 0 0 157 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.248 56.2-178.5 60.5 166.5 -31.4 -9.7 -3.3 10 10 A H + 0 0 169 1,-0.3 -1,-0.0 -3,-0.0 -3,-0.0 -0.967 35.8 81.6-176.6-175.1 -32.7 -10.9 0.1 11 11 A S + 0 0 112 -2,-0.3 -1,-0.3 1,-0.0 3,-0.0 0.886 35.3 170.0 60.7 105.5 -34.7 -13.5 1.9 12 12 A S + 0 0 113 0, 0.0 8,-0.1 0, 0.0 -2,-0.0 0.782 50.7 75.4-109.6 -53.8 -32.7 -16.7 2.6 13 13 A G - 0 0 63 6,-0.1 6,-0.0 1,-0.1 7,-0.0 -0.117 55.1-163.4 -59.6 160.3 -34.7 -18.8 4.9 14 14 A L S S+ 0 0 170 1,-0.4 -1,-0.1 -3,-0.0 -3,-0.0 0.701 70.8 25.2-114.1 -38.6 -37.8 -20.7 3.7 15 15 A V S S- 0 0 104 3,-0.1 3,-0.4 1,-0.0 -1,-0.4 -0.952 107.4 -63.3-131.8 150.7 -39.6 -21.6 6.9 16 16 A P S S+ 0 0 134 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.022 95.3 98.0 -32.3 102.0 -39.7 -20.1 10.5 17 17 A R - 0 0 186 2,-0.1 2,-0.2 0, 0.0 0, 0.0 0.231 51.0-171.2-153.4 -68.5 -36.1 -20.5 11.6 18 18 A G + 0 0 58 -3,-0.4 -3,-0.1 1,-0.2 0, 0.0 -0.659 33.6 107.2 97.9-154.2 -33.8 -17.5 11.3 19 19 A S - 0 0 92 -2,-0.2 -1,-0.2 1,-0.1 -6,-0.1 0.220 66.3-114.9 60.4 168.8 -30.1 -17.4 11.9 20 20 A H S S+ 0 0 183 2,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.695 88.2 14.1-108.6 -31.8 -27.6 -17.1 9.0 21 21 A M S S- 0 0 148 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.728 97.2 -59.5-133.9-177.0 -25.8 -20.4 9.3 22 22 A A S S- 0 0 73 -2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 -0.030 75.5 -67.2 -60.0 169.3 -26.2 -23.9 10.9 23 23 A S - 0 0 118 -4,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.297 57.1-166.8 -61.0 141.8 -26.4 -24.3 14.7 24 24 A K - 0 0 117 -3,-0.1 -1,-0.0 1,-0.1 -3,-0.0 -0.940 25.8-156.6-132.9 154.5 -23.2 -23.4 16.6 25 25 A L S S+ 0 0 177 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.820 70.4 90.2 -95.7 -40.7 -21.9 -24.0 20.1 26 26 A K S S- 0 0 136 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.319 81.9-116.1 -60.2 136.7 -19.4 -21.1 20.3 27 27 A E - 0 0 180 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 0.107 41.7 -76.5 -61.9-176.7 -20.8 -17.9 21.6 28 28 A A - 0 0 87 2,-0.0 -1,-0.1 1,-0.0 0, 0.0 -0.146 37.7-173.5 -77.3 177.1 -21.1 -14.7 19.6 29 29 A A - 0 0 58 2,-0.0 2,-0.5 30,-0.0 -1,-0.0 -0.279 3.7-180.0-175.2 77.3 -18.2 -12.3 18.7 30 30 A E - 0 0 171 31,-0.0 2,-0.3 2,-0.0 31,-0.1 -0.760 16.4-149.4 -90.6 125.2 -19.0 -9.1 17.0 31 31 A V - 0 0 28 -2,-0.5 29,-0.1 29,-0.2 27,-0.0 -0.689 14.7-138.8 -94.2 146.4 -16.0 -6.8 16.2 32 32 A T - 0 0 81 -2,-0.3 120,-0.3 27,-0.2 26,-0.1 0.872 36.6-158.6 -68.1 -36.3 -16.2 -3.0 16.1 33 33 A G + 0 0 2 118,-0.2 119,-1.9 1,-0.2 2,-0.3 0.874 17.7 173.2 56.4 109.2 -13.9 -3.1 13.1 34 34 A S B -A 57 0A 21 23,-2.1 22,-3.0 117,-0.2 23,-1.3 -0.994 25.4-133.7-151.3 141.2 -12.2 0.2 12.5 35 35 A V - 0 0 0 -2,-0.3 2,-0.8 20,-0.3 20,-0.3 -0.725 13.1-139.0 -95.8 143.3 -9.5 1.5 10.2 36 36 A S - 0 0 23 18,-0.4 18,-2.7 -2,-0.3 2,-0.5 -0.871 25.2-176.1-102.8 105.2 -6.6 3.6 11.3 37 37 A L + 0 0 21 -2,-0.8 2,-0.4 16,-0.3 16,-0.2 -0.907 9.0 166.0-109.0 125.2 -6.0 6.4 8.8 38 38 A E + 0 0 157 -2,-0.5 14,-1.1 118,-0.0 2,-0.3 -0.974 9.8 147.7-140.2 121.9 -3.1 8.8 9.1 39 39 A A - 0 0 20 -2,-0.4 12,-0.1 12,-0.2 118,-0.1 -0.973 54.3-117.6-149.3 162.8 -1.8 11.1 6.3 40 40 A L - 0 0 143 -2,-0.3 -1,-0.1 10,-0.2 3,-0.1 0.801 43.1-140.5 -70.7 -28.9 -0.2 14.5 5.8 41 41 A E S S+ 0 0 86 1,-0.1 118,-1.6 117,-0.1 2,-0.3 0.736 71.5 79.7 74.2 24.3 -3.3 15.6 3.8 42 42 A E B +b 159 0B 99 116,-0.3 2,-0.3 88,-0.1 118,-0.2 -0.867 43.5 167.9-164.9 128.3 -1.1 17.5 1.3 43 43 A V - 0 0 5 116,-0.6 2,-0.3 -2,-0.3 3,-0.1 -0.872 27.8-138.8-146.1 107.4 1.0 16.5 -1.8 44 44 A Q > - 0 0 83 -2,-0.3 3,-1.6 116,-0.3 118,-0.2 -0.492 47.9 -81.7 -68.6 126.8 2.3 19.2 -4.2 45 45 A V T 3 S+ 0 0 41 116,-0.9 81,-0.2 -2,-0.3 -1,-0.2 0.115 120.2 37.8 -29.3 124.6 2.0 18.0 -7.8 46 46 A G T 3 S+ 0 0 57 79,-3.4 -1,-0.3 1,-0.5 2,-0.2 0.114 102.8 83.0 113.8 -19.2 4.9 15.8 -8.7 47 47 A E < - 0 0 126 -3,-1.6 78,-1.9 78,-0.3 -1,-0.5 -0.597 69.7-123.6-110.4 173.1 5.1 14.0 -5.3 48 48 A N B -C 124 0C 73 -2,-0.2 2,-0.2 76,-0.2 76,-0.2 -0.702 17.3-123.3-114.5 167.6 3.2 11.0 -3.8 49 49 A L - 0 0 7 74,-1.0 2,-0.4 -2,-0.2 -6,-0.1 -0.708 7.9-151.0-108.8 161.4 1.2 10.4 -0.7 50 50 A E + 0 0 97 -2,-0.2 2,-0.8 72,-0.1 -10,-0.2 -0.810 17.1 173.7-136.1 93.7 1.6 7.9 2.2 51 51 A V - 0 0 1 -2,-0.4 2,-2.4 70,-0.1 70,-0.5 -0.826 16.1-161.0-105.1 97.8 -1.6 6.9 3.9 52 52 A G - 0 0 7 -14,-1.1 2,-1.2 -2,-0.8 66,-0.3 -0.453 15.9-178.7 -76.4 73.0 -0.9 4.1 6.4 53 53 A V + 0 0 0 -2,-2.4 -16,-0.3 66,-1.2 -2,-0.1 -0.626 24.6 134.1 -78.4 99.1 -4.5 2.9 6.7 54 54 A G - 0 0 0 -18,-2.7 2,-0.4 -2,-1.2 -18,-0.4 0.346 57.7 -34.9-111.8-118.4 -4.3 0.1 9.2 55 55 A I + 0 0 2 61,-0.6 60,-0.8 -20,-0.3 -20,-0.3 -0.957 36.7 170.5-120.4 135.1 -6.5 -0.6 12.3 56 56 A D S S- 0 0 65 -22,-3.0 2,-0.3 -2,-0.4 -21,-0.2 0.735 81.1 -1.4-104.3 -36.5 -8.2 1.8 14.6 57 57 A E B +A 34 0A 95 -23,-1.3 -23,-2.1 -26,-0.0 -1,-0.4 -0.932 59.6 162.8-159.0 131.3 -10.3 -0.8 16.5 58 58 A L + 0 0 34 -2,-0.3 2,-0.6 -25,-0.2 3,-0.4 -0.663 8.5 171.2-154.1 90.6 -10.7 -4.5 16.1 59 59 A V S S+ 0 0 78 -2,-0.2 -27,-0.2 1,-0.2 3,-0.1 -0.912 70.7 15.2-111.4 114.8 -12.2 -6.5 19.0 60 60 A N S S+ 0 0 87 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.574 105.8 92.1 102.7 20.0 -13.1 -10.1 18.5 61 61 A A - 0 0 11 -3,-0.4 2,-1.0 -31,-0.1 -1,-0.2 -0.990 62.6-146.0-145.9 133.6 -11.1 -10.7 15.3 62 62 A E - 0 0 122 -2,-0.3 2,-0.2 79,-0.1 84,-0.1 -0.739 23.2-153.5-100.8 86.2 -7.6 -11.9 14.7 63 63 A A + 0 0 10 -2,-1.0 80,-0.2 1,-0.2 3,-0.1 -0.399 30.5 156.2 -62.5 125.8 -6.4 -10.0 11.6 64 64 A F + 0 0 100 1,-0.3 42,-0.7 78,-0.3 2,-0.4 0.656 68.2 29.7-118.4 -37.9 -3.8 -11.9 9.7 65 65 A A S S- 0 0 35 40,-0.1 77,-0.6 46,-0.1 2,-0.3 -0.949 71.6-151.8-133.2 112.8 -4.0 -10.5 6.2 66 66 A Y E +D 141 0D 0 -2,-0.4 38,-3.1 75,-0.2 2,-0.3 -0.659 18.9 170.9 -85.7 135.8 -5.1 -6.9 5.5 67 67 A D E +D 140 0D 39 73,-1.0 73,-2.1 -2,-0.3 2,-0.3 -0.879 7.7 158.0-148.1 110.0 -6.9 -6.1 2.2 68 68 A F E - 0 0 0 -2,-0.3 34,-2.0 71,-0.2 2,-0.4 -0.789 32.9-134.5-128.0 171.4 -8.5 -2.7 1.5 69 69 A T E -DE 137 101D 14 68,-1.4 68,-1.1 -2,-0.3 32,-0.2 -0.883 20.1-158.8-132.7 101.1 -9.6 -0.6 -1.5 70 70 A L E - E 0 100D 2 30,-0.9 30,-1.4 -2,-0.4 2,-0.5 -0.415 8.9-141.0 -77.2 153.7 -8.7 3.1 -1.4 71 71 A N E + E 0 99D 51 64,-0.2 64,-0.7 28,-0.2 28,-0.3 -0.952 31.7 155.0-122.3 114.3 -10.6 5.6 -3.6 72 72 A Y - 0 0 9 26,-0.8 2,-0.5 -2,-0.5 61,-0.1 -0.558 47.1 -78.4-122.8-172.4 -8.7 8.5 -5.2 73 73 A D > - 0 0 43 59,-0.2 4,-1.0 -2,-0.2 25,-0.2 -0.820 27.6-171.4 -97.1 126.2 -9.1 10.8 -8.2 74 74 A E T 4 S+ 0 0 76 -2,-0.5 -1,-0.1 23,-0.2 24,-0.1 0.806 89.5 50.7 -82.5 -32.2 -8.1 9.3 -11.6 75 75 A N T 4 S+ 0 0 127 22,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.801 132.0 16.3 -75.0 -29.7 -8.4 12.7 -13.4 76 76 A A T 4 S+ 0 0 9 53,-0.1 51,-0.7 1,-0.0 50,-0.5 0.798 128.8 41.4-107.4 -52.8 -6.2 14.4 -10.8 77 77 A F < - 0 0 0 -4,-1.0 2,-0.3 48,-0.2 48,-0.2 -0.415 64.5-155.4 -93.4 171.9 -4.5 11.6 -8.9 78 78 A E - 0 0 78 46,-0.4 46,-0.9 -2,-0.1 -4,-0.1 -0.873 21.9-116.9-154.3 115.7 -2.9 8.4 -10.3 79 79 A Y E +G 123 0E 27 -2,-0.3 44,-0.2 44,-0.2 43,-0.0 -0.071 38.3 164.4 -48.4 148.7 -2.4 5.1 -8.4 80 80 A V E - 0 0 46 42,-0.7 2,-0.3 1,-0.0 14,-0.2 0.444 49.6 -36.5-130.6 -84.0 1.3 4.0 -8.1 81 81 A E E -G 122 0E 101 41,-0.9 41,-1.4 12,-0.1 2,-0.1 -0.968 48.9-122.2-157.4 138.7 2.3 1.3 -5.6 82 82 A A E -G 121 0E 9 -2,-0.3 2,-0.3 39,-0.2 39,-0.3 -0.436 28.7-165.5 -82.7 153.8 1.3 0.2 -2.1 83 83 A I E +G 120 0E 63 37,-3.3 37,-2.0 -2,-0.1 2,-0.2 -0.793 11.6 179.9-132.5 174.7 3.6 0.1 0.8 84 84 A S - 0 0 17 1,-0.3 35,-0.1 -2,-0.3 34,-0.1 -0.795 38.5 -63.3-154.7-165.6 3.9 -1.3 4.3 85 85 A D - 0 0 82 32,-0.3 -1,-0.3 -2,-0.2 5,-0.1 0.145 66.2 -78.3 -77.2-161.3 6.3 -1.5 7.3 86 86 A D S S+ 0 0 166 1,-0.1 3,-0.1 3,-0.1 -1,-0.1 -0.140 127.1 27.0 -95.6 37.8 9.7 -3.1 7.4 87 87 A G S S+ 0 0 26 1,-0.4 20,-1.4 18,-0.1 2,-0.3 0.336 101.0 80.1-160.5 -39.4 8.3 -6.6 7.7 88 88 A V E S-F 106 0D 18 18,-0.2 2,-0.6 19,-0.1 -1,-0.4 -0.642 70.1-132.9 -87.0 140.4 4.8 -6.8 6.2 89 89 A F E -F 105 0D 113 16,-3.8 16,-1.1 -2,-0.3 2,-0.5 -0.833 24.2-174.9 -97.1 118.7 4.4 -7.1 2.4 90 90 A V E +F 104 0D 10 -2,-0.6 2,-0.4 14,-0.2 14,-0.2 -0.950 5.0 176.6-116.8 130.0 1.9 -4.8 0.8 91 91 A N E -F 103 0D 62 12,-1.6 12,-2.8 -2,-0.5 2,-0.3 -0.965 11.4-158.4-137.2 120.0 0.9 -5.0 -2.9 92 92 A A E -F 102 0D 11 -2,-0.4 2,-0.4 10,-0.3 10,-0.3 -0.691 2.1-158.0 -96.6 148.3 -1.7 -2.8 -4.6 93 93 A K E -F 101 0D 122 8,-4.0 8,-1.9 -2,-0.3 2,-0.9 -0.913 20.6-129.5-131.8 106.7 -3.5 -3.7 -7.8 94 94 A K E + 0 0 105 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.325 35.1 168.1 -55.0 95.1 -5.0 -1.0 -9.9 95 95 A I E - 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