==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/PEPTIDE 24-MAR-11 2YDQ . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR M.SCHIMPL,V.S.BORODKIN,L.J.GRAY,D.M.F.VAN AALTEN . 585 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.8 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 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 . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.4 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 2 0 0 1 2 1 1 0 0 3 2 1 2 0 0 1 1 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 3 2 4 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 0 PARALLEL BRIDGES PER LADDER . 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 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 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 40 A Q 0 0 195 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 121.6 70.5 -10.9 13.7 2 41 A V - 0 0 33 17,-3.0 129,-0.2 127,-0.2 2,-0.2 -0.823 360.0-136.2-112.3 133.6 68.3 -13.5 11.9 3 42 A L - 0 0 149 -2,-0.4 16,-0.0 127,-0.1 -1,-0.0 -0.463 26.2-105.0 -86.4 150.7 64.7 -13.3 10.9 4 43 A V - 0 0 49 -2,-0.2 3,-0.1 125,-0.1 -1,-0.1 -0.620 45.8-140.4 -68.6 118.0 62.0 -15.9 11.3 5 44 A P - 0 0 25 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.131 38.1 -61.8 -72.5 174.7 61.5 -17.2 7.7 6 45 A N - 0 0 76 116,-0.1 2,-0.4 417,-0.0 4,-0.0 -0.415 62.1-163.3 -51.6 125.6 58.2 -18.1 6.0 7 46 A L - 0 0 15 -2,-0.1 3,-0.1 -3,-0.1 112,-0.1 -0.928 7.4-134.7-115.7 145.5 56.6 -20.9 8.1 8 47 A N S S+ 0 0 0 -2,-0.4 2,-0.2 1,-0.2 162,-0.1 -0.904 88.0 22.5-151.0 125.3 53.9 -23.3 7.1 9 48 A P S S- 0 0 1 0, 0.0 -1,-0.2 0, 0.0 398,-0.1 0.603 100.7-112.6 -68.7 170.2 51.6 -23.9 8.9 10 49 A T - 0 0 32 -2,-0.2 404,-0.1 397,-0.1 -2,-0.1 -0.618 33.8-124.7 -70.2 118.1 51.7 -20.8 11.1 11 50 A P - 0 0 9 0, 0.0 3,-0.2 0, 0.0 125,-0.1 -0.385 14.0-127.6 -65.4 145.5 52.8 -22.1 14.6 12 51 A E S S+ 0 0 43 1,-0.2 2,-0.5 125,-0.2 124,-0.2 0.956 91.3 23.9 -59.3 -53.7 50.3 -21.1 17.3 13 52 A N E S+A 135 0A 75 122,-1.9 122,-1.4 2,-0.0 2,-0.4 -0.953 70.2 158.7-122.2 117.2 52.8 -19.5 19.7 14 53 A L E +A 134 0A 55 -2,-0.5 2,-0.4 120,-0.2 120,-0.2 -0.985 8.4 175.3-137.3 128.1 56.1 -18.1 18.6 15 54 A E E -A 133 0A 130 118,-1.6 118,-2.0 -2,-0.4 2,-0.5 -0.995 29.1-130.6-126.5 140.8 58.3 -15.5 20.3 16 55 A V E +A 132 0A 87 -2,-0.4 116,-0.3 116,-0.2 3,-0.1 -0.747 28.6 173.1 -81.3 125.8 61.8 -14.3 19.3 17 56 A V + 0 0 70 114,-2.6 2,-0.3 -2,-0.5 115,-0.2 0.393 59.0 6.8-116.4 -0.2 63.9 -14.5 22.4 18 57 A G S S- 0 0 23 113,-1.1 113,-0.5 80,-0.1 -1,-0.1 -0.948 82.1 -85.6-165.0-178.9 67.4 -13.7 20.9 19 58 A D - 0 0 97 -2,-0.3 -17,-3.0 1,-0.2 2,-0.1 0.615 70.0-114.2 -70.9 -18.6 69.4 -12.6 17.9 20 59 A G - 0 0 15 -19,-0.2 2,-0.3 110,-0.1 -1,-0.2 -0.307 28.8-133.1 97.0 166.1 69.7 -16.0 16.4 21 60 A F E -F 129 0B 32 108,-1.8 108,-2.5 -2,-0.1 2,-0.5 -0.968 16.3-104.2-150.3 164.9 72.9 -18.0 15.9 22 61 A K E -F 128 0B 136 -2,-0.3 2,-0.4 106,-0.2 106,-0.2 -0.825 34.1-126.6 -91.5 130.7 74.7 -20.1 13.3 23 62 A I - 0 0 7 104,-3.0 4,-0.1 -2,-0.5 39,-0.0 -0.641 32.9-115.3 -73.0 127.9 74.6 -23.9 13.8 24 63 A T - 0 0 48 -2,-0.4 -1,-0.1 2,-0.2 38,-0.1 -0.008 25.9-103.8 -60.7 170.3 78.1 -25.3 13.7 25 64 A S S S+ 0 0 94 1,-0.1 28,-2.1 27,-0.1 2,-0.3 0.589 110.2 36.2 -78.4 -4.0 79.2 -27.6 11.0 26 65 A S E S-h 53 0C 22 26,-0.2 37,-0.3 28,-0.0 2,-0.3 -0.993 78.4-159.3-146.4 135.9 78.9 -30.6 13.4 27 66 A I E -h 54 0C 2 26,-2.2 28,-2.8 -2,-0.3 2,-0.6 -0.847 21.8-121.0-122.9 154.2 76.2 -31.0 16.1 28 67 A N E -b 64 0A 5 35,-2.9 37,-3.4 -2,-0.3 2,-0.5 -0.844 30.5-156.1 -86.9 125.3 75.7 -32.9 19.3 29 68 A L E -b 65 0A 17 -2,-0.6 2,-0.4 26,-0.3 37,-0.2 -0.915 13.9-173.7-105.4 127.6 72.6 -35.0 18.9 30 69 A V E +b 66 0A 29 35,-2.8 37,-2.2 -2,-0.5 -2,-0.0 -0.970 56.3 12.2-130.9 132.0 70.9 -36.0 22.1 31 70 A G S >> S+ 0 0 8 -2,-0.4 4,-1.4 35,-0.2 3,-0.8 0.446 75.7 128.2 92.7 4.1 67.9 -38.2 22.9 32 71 A E T 34 + 0 0 41 1,-0.2 8,-0.1 2,-0.2 -2,-0.1 0.580 63.2 64.7 -71.4 -14.1 67.7 -40.0 19.5 33 72 A E T 34 S+ 0 0 144 1,-0.1 -1,-0.2 7,-0.0 4,-0.1 0.851 117.3 28.3 -73.6 -31.6 67.7 -43.5 20.8 34 73 A E T <4 S+ 0 0 132 -3,-0.8 -2,-0.2 33,-0.2 35,-0.2 0.605 102.7 97.6-101.9 -18.5 64.4 -42.9 22.6 35 74 A A S < S- 0 0 8 -4,-1.4 33,-0.1 32,-0.2 75,-0.1 -0.322 94.3 -68.7 -75.5 157.7 62.9 -40.2 20.3 36 75 A D > - 0 0 31 1,-0.1 4,-2.4 73,-0.1 3,-0.2 -0.237 41.1-137.0 -49.6 121.5 60.4 -41.0 17.5 37 76 A E H > S+ 0 0 154 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.812 102.8 48.0 -50.7 -39.4 62.2 -43.1 14.7 38 77 A N H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 110.2 50.5 -75.1 -39.5 60.4 -41.0 11.9 39 78 A A H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.940 112.0 48.1 -56.9 -50.0 61.2 -37.7 13.5 40 79 A V H X S+ 0 0 7 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.901 110.8 50.6 -62.9 -43.7 64.9 -38.6 13.8 41 80 A N H X S+ 0 0 56 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.912 110.4 49.6 -58.4 -45.4 65.0 -39.9 10.2 42 81 A A H X S+ 0 0 11 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.931 113.2 47.4 -57.4 -45.9 63.5 -36.6 9.0 43 82 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.906 111.0 51.3 -62.6 -43.6 66.1 -34.8 11.1 44 83 A R H X S+ 0 0 97 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.928 109.2 49.6 -59.4 -49.6 69.0 -37.0 9.7 45 84 A E H X S+ 0 0 103 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.911 112.1 48.7 -56.0 -46.1 68.0 -36.4 6.0 46 85 A F H X S+ 0 0 29 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.917 112.2 47.9 -60.6 -46.1 67.9 -32.7 6.6 47 86 A L H <>S+ 0 0 3 -4,-2.3 5,-2.3 1,-0.2 3,-0.3 0.946 112.5 48.3 -61.8 -49.8 71.3 -32.6 8.3 48 87 A T H ><5S+ 0 0 108 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.908 111.8 51.0 -54.6 -45.1 72.9 -34.7 5.6 49 88 A A H 3<5S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 112.8 44.6 -66.8 -31.9 71.4 -32.5 2.9 50 89 A N T 3<5S- 0 0 73 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.185 117.4-110.5-100.1 17.5 72.7 -29.3 4.5 51 90 A N T < 5 + 0 0 141 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.898 66.4 145.5 58.6 48.9 76.2 -30.7 5.2 52 91 A I < - 0 0 8 -5,-2.3 -26,-0.2 -6,-0.1 -1,-0.2 -0.957 34.3-155.0-117.0 109.0 75.9 -30.9 9.0 53 92 A E E -h 26 0C 151 -28,-2.1 -26,-2.2 -2,-0.6 2,-0.5 -0.422 14.4-125.6 -78.0 157.2 77.8 -33.9 10.5 54 93 A I E -h 27 0C 62 -28,-0.2 -26,-0.2 -2,-0.1 -1,-0.0 -0.933 27.4-117.2-102.4 130.4 76.7 -35.4 13.9 55 94 A N - 0 0 37 -28,-2.8 -26,-0.3 -2,-0.5 3,-0.2 -0.284 9.7-151.5 -62.6 147.5 79.4 -35.7 16.5 56 95 A S S S+ 0 0 119 1,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.736 88.2 26.3 -87.7 -25.7 80.4 -39.2 17.8 57 96 A E S S- 0 0 156 1,-0.0 -1,-0.3 0, 0.0 0, 0.0 -0.999 105.1 -88.3-139.9 125.2 81.4 -37.8 21.2 58 97 A N - 0 0 119 -2,-0.4 -2,-0.1 -3,-0.2 6,-0.0 0.045 40.1-169.3 -24.1 137.7 80.1 -34.7 22.8 59 98 A D > - 0 0 62 3,-0.2 3,-1.4 4,-0.1 -31,-0.1 -0.923 16.6-153.4-144.7 113.9 81.9 -31.5 21.9 60 99 A P T 3 S+ 0 0 115 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.641 90.5 65.3 -69.7 -11.8 81.1 -28.3 23.8 61 100 A N T 3 S+ 0 0 145 2,-0.1 2,-0.3 -37,-0.0 0, 0.0 0.235 94.8 72.6 -88.3 11.9 82.1 -26.0 20.9 62 101 A S S < S- 0 0 13 -3,-1.4 -3,-0.2 -38,-0.1 -35,-0.1 -0.943 93.0 -91.0-130.0 151.0 79.3 -27.2 18.7 63 102 A T - 0 0 8 -37,-0.3 -35,-2.9 -2,-0.3 2,-0.4 -0.155 38.7-142.1 -54.1 147.7 75.5 -26.7 18.6 64 103 A T E -bc 28 102A 20 37,-1.8 39,-2.5 -37,-0.2 2,-0.5 -0.968 10.9-163.8-119.7 132.6 73.5 -29.3 20.6 65 104 A L E -bc 29 103A 3 -37,-3.4 -35,-2.8 -2,-0.4 2,-0.5 -0.971 5.1-170.4-115.9 120.2 70.1 -30.6 19.4 66 105 A I E +bc 30 104A 6 37,-2.9 39,-3.0 -2,-0.5 2,-0.3 -0.951 10.6 174.4-113.5 134.1 68.0 -32.4 21.9 67 106 A I E + c 0 105A 0 -37,-2.2 2,-0.3 -2,-0.5 39,-0.2 -0.955 14.5 111.4-139.6 148.3 64.9 -34.2 20.7 68 107 A G E - c 0 106A 0 37,-1.2 39,-2.1 -2,-0.3 2,-0.2 -0.920 53.3 -84.8 166.5 170.8 62.2 -36.5 22.4 69 108 A E E > - c 0 107A 15 -2,-0.3 3,-2.1 37,-0.2 39,-0.2 -0.655 40.2-111.0 -95.5 158.6 58.6 -37.0 23.5 70 109 A V T 3 S+ 0 0 41 37,-2.2 4,-0.2 1,-0.3 38,-0.1 0.948 119.4 57.9 -45.8 -49.2 57.1 -35.9 26.8 71 110 A D T 3 S+ 0 0 133 37,-0.3 2,-0.4 36,-0.2 -1,-0.3 0.240 84.9 92.3 -79.5 10.9 57.0 -39.7 27.7 72 111 A D S < S- 0 0 28 -3,-2.1 2,-1.5 2,-0.1 -37,-0.0 -0.889 80.4-130.1 -93.5 135.7 60.7 -40.3 27.2 73 112 A D + 0 0 159 -2,-0.4 -2,-0.1 4,-0.0 -3,-0.1 -0.726 56.7 138.0 -84.5 87.2 62.6 -39.9 30.5 74 113 A I >> - 0 0 24 -2,-1.5 4,-0.9 -4,-0.2 3,-0.8 -0.887 28.0-178.8-133.8 98.8 65.3 -37.5 29.2 75 114 A P H 3> S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.806 77.6 69.9 -67.9 -31.6 66.1 -34.7 31.7 76 115 A E H 3> S+ 0 0 114 1,-0.2 4,-1.2 2,-0.2 -10,-0.1 0.750 100.8 53.1 -59.9 -20.6 68.7 -33.0 29.4 77 116 A L H <> S+ 0 0 1 -3,-0.8 4,-1.2 2,-0.2 -1,-0.2 0.910 105.8 48.7 -77.6 -49.7 65.7 -32.1 27.3 78 117 A D H X>S+ 0 0 95 -4,-0.9 4,-0.9 1,-0.2 5,-0.6 0.869 108.0 57.3 -58.1 -39.2 63.6 -30.5 30.1 79 118 A E H ><5S+ 0 0 148 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.939 109.3 44.2 -53.7 -50.5 66.7 -28.5 31.1 80 119 A A H 3<5S+ 0 0 21 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.644 102.4 65.1 -76.6 -16.2 67.0 -26.9 27.5 81 120 A L H ><5S- 0 0 1 -4,-1.2 3,-1.2 -3,-0.3 -1,-0.2 0.753 91.8-150.6 -76.6 -27.1 63.3 -26.2 27.2 82 121 A N T <<5 - 0 0 134 -4,-0.9 -3,-0.1 -3,-0.7 3,-0.1 0.922 69.3 -34.6 63.0 51.2 63.6 -23.7 30.0 83 122 A G T 3 S+ 0 0 0 -2,-0.3 3,-1.5 21,-0.1 7,-0.1 0.366 74.3 98.4-103.2 -0.4 54.6 -29.9 25.6 87 126 A E T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -17,-0.1 -16,-0.0 0.864 84.9 41.6 -55.7 -41.5 53.0 -31.8 28.4 88 127 A N T 3 S+ 0 0 128 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.334 94.1 106.4 -94.7 9.6 49.8 -29.9 28.5 89 128 A L S < S- 0 0 20 -3,-1.5 3,-0.1 1,-0.1 48,-0.1 -0.450 75.7 -98.2 -90.1 160.1 49.3 -29.6 24.7 90 129 A K > - 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