==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-SEP-09 2WT4 . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR P.DHAVALA,A.C.PAPAGEORGIOU . 316 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 5.7 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 0 1 0 1 2 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 0 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 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 5 A L 0 0 138 0, 0.0 33,-0.1 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 148.0 27.0 0.9 -28.6 2 6 A P - 0 0 41 0, 0.0 33,-2.7 0, 0.0 2,-0.5 -0.373 360.0-122.3 -64.8 146.0 27.2 -1.6 -25.7 3 7 A T E -a 35 0A 21 66,-0.4 68,-2.8 31,-0.2 69,-0.7 -0.843 29.0-173.6 -94.6 128.4 26.3 -5.3 -26.6 4 8 A I E -ab 36 72A 0 31,-2.7 33,-2.7 -2,-0.5 2,-0.4 -0.961 17.3-139.8-119.2 134.1 23.5 -6.8 -24.6 5 9 A A E -ab 37 73A 0 67,-2.1 69,-2.8 -2,-0.4 2,-0.5 -0.834 13.8-157.6 -90.8 135.0 22.5 -10.5 -24.8 6 10 A L E -ab 38 74A 1 31,-2.4 33,-2.5 -2,-0.4 2,-0.6 -0.974 5.7-167.6-115.5 116.8 18.7 -11.1 -24.7 7 11 A L E -ab 39 75A 0 67,-2.6 69,-1.7 -2,-0.5 2,-0.4 -0.927 7.8-157.5-108.3 115.0 17.7 -14.6 -23.6 8 12 A A E +ab 40 76A 3 31,-2.7 33,-2.8 -2,-0.6 34,-1.6 -0.784 23.1 167.1 -98.3 136.0 14.0 -15.4 -24.3 9 13 A T E - 0 0 1 67,-1.5 35,-2.5 -2,-0.4 2,-0.3 0.482 50.9-106.8-118.3 -10.1 12.2 -18.1 -22.3 10 14 A G E +a 44 0A 2 33,-0.3 -1,-0.4 66,-0.2 3,-0.2 -0.917 54.3 140.0 115.8-145.9 8.5 -17.3 -23.2 11 15 A G S > S- 0 0 12 33,-1.0 3,-2.2 -2,-0.3 67,-0.1 -0.109 72.8 -55.2 89.9 169.8 5.7 -15.8 -21.2 12 16 A T G > S+ 0 0 29 1,-0.3 3,-2.2 92,-0.3 96,-0.8 0.758 126.0 71.6 -57.1 -28.2 2.8 -13.3 -21.8 13 17 A I G 3 S+ 0 0 9 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.786 110.7 32.8 -56.6 -28.5 5.4 -10.8 -23.1 14 18 A A G < S+ 0 0 37 -3,-2.2 -1,-0.3 90,-0.1 -2,-0.2 -0.006 100.6 122.4-113.9 23.5 5.6 -13.2 -26.1 15 19 A G < + 0 0 20 -3,-2.2 93,-1.5 91,-0.1 94,-0.3 -0.572 31.6 154.4 -86.9 150.9 1.9 -14.1 -25.8 16 20 A S 0 0 94 -2,-0.2 -2,-0.1 91,-0.2 91,-0.0 -0.890 360.0 360.0-156.7-175.5 -0.7 -13.7 -28.6 17 21 A G 0 0 117 -2,-0.3 -2,-0.0 90,-0.0 90,-0.0 -0.309 360.0 360.0-139.0 360.0 -3.9 -14.8 -30.2 18 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 19 35 A G 0 0 27 0, 0.0 3,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-149.7 9.7 -15.6 -29.8 20 36 A V + 0 0 44 1,-0.2 3,-0.2 19,-0.1 4,-0.1 -0.451 360.0 24.3 -60.7 124.8 12.7 -13.5 -30.8 21 37 A K S S+ 0 0 40 2,-0.6 2,-0.3 -2,-0.2 -1,-0.2 0.192 91.2 81.6-162.9 112.9 12.2 -11.5 -32.9 22 38 A E S S+ 0 0 132 -3,-0.4 -1,-0.2 3,-0.1 2,-0.1 -0.315 98.5 56.0 43.3 96.4 9.3 -10.6 -33.0 23 39 A L S S+ 0 0 25 -2,-0.3 2,-3.4 -3,-0.2 -2,-0.6 0.067 109.3 36.6 76.4 150.5 10.2 -8.3 -30.2 24 40 A L S S+ 0 0 37 1,-0.2 6,-0.2 -2,-0.1 7,-0.2 -0.222 117.0 57.9 66.3 -54.2 13.2 -6.2 -31.3 25 41 A K S S+ 0 0 161 -2,-3.4 -1,-0.2 1,-0.2 -3,-0.1 0.842 107.5 47.0 -66.9 -35.7 11.4 -6.2 -34.7 26 42 A A S S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.1 90,-0.0 0.641 117.2 43.8 -80.0 -19.7 8.4 -4.7 -32.9 27 43 A I > + 0 0 18 1,-0.1 3,-1.2 89,-0.0 -1,-0.2 -0.747 60.5 169.6-129.3 84.3 10.5 -2.0 -31.1 28 44 A P G > + 0 0 92 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.724 69.4 76.6 -69.0 -21.5 13.1 -0.5 -33.5 29 45 A S G > S+ 0 0 57 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.706 78.0 76.0 -61.4 -21.0 14.1 2.3 -30.9 30 46 A L G X> S+ 0 0 0 -3,-1.2 4,-1.7 1,-0.3 3,-1.4 0.807 82.2 67.6 -57.8 -32.3 16.1 -0.4 -29.1 31 47 A N G <4 S+ 0 0 105 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.603 91.5 61.4 -66.8 -14.6 18.8 -0.1 -31.8 32 48 A K G <4 S+ 0 0 179 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.665 112.1 35.2 -83.6 -18.1 19.6 3.4 -30.6 33 49 A I T <4 S+ 0 0 40 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.696 124.0 3.3-111.2 -24.9 20.7 2.2 -27.1 34 50 A A < - 0 0 1 -4,-1.7 2,-0.6 -33,-0.1 -1,-0.3 -0.994 60.5-113.8-156.7 158.9 22.3 -1.2 -27.6 35 51 A R E -a 3 0A 147 -33,-2.7 -31,-2.7 -2,-0.3 2,-0.5 -0.887 44.0-147.4 -88.3 120.5 23.5 -3.9 -30.0 36 52 A I E -a 4 0A 32 -2,-0.6 2,-0.7 -33,-0.2 -31,-0.2 -0.847 18.9-169.7-103.7 126.4 21.2 -6.8 -29.2 37 53 A Q E -a 5 0A 57 -33,-2.7 -31,-2.4 -2,-0.5 2,-0.3 -0.922 23.5-168.3-108.1 100.0 22.3 -10.4 -29.5 38 54 A G E +a 6 0A 37 -2,-0.7 2,-0.3 -33,-0.2 -31,-0.2 -0.654 14.0 168.1 -97.7 145.4 19.1 -12.4 -29.1 39 55 A E E -a 7 0A 52 -33,-2.5 -31,-2.7 -2,-0.3 2,-0.7 -0.991 33.2-121.1-149.8 155.0 18.5 -16.1 -28.5 40 56 A Q E +a 8 0A 71 -2,-0.3 -31,-0.2 -33,-0.2 3,-0.1 -0.848 26.2 171.8 -96.0 116.7 15.7 -18.5 -27.6 41 57 A V E S- 0 0 6 -33,-2.8 2,-0.3 -2,-0.7 -32,-0.2 0.834 72.8 -28.1 -87.1 -40.9 16.4 -20.5 -24.4 42 58 A S E - 0 0 16 -34,-1.6 -1,-0.4 2,-0.1 2,-0.1 -0.939 49.0-135.1-159.9 173.7 12.9 -21.9 -24.3 43 59 A N E + 0 0 106 -2,-0.3 -33,-0.3 -3,-0.1 2,-0.3 -0.551 55.9 119.5-140.5 75.4 9.3 -21.0 -25.3 44 60 A I E -a 10 0A 48 -35,-2.5 -33,-1.0 -2,-0.1 34,-0.3 -0.895 67.3 -99.9-132.5 160.3 7.0 -21.8 -22.4 45 61 A G > - 0 0 23 -2,-0.3 3,-2.1 -35,-0.2 -2,-0.1 -0.595 41.3-120.6 -69.0 143.7 4.6 -20.2 -20.0 46 62 A S G > S+ 0 0 0 1,-0.3 3,-1.5 -2,-0.2 -1,-0.1 0.680 109.4 76.2 -68.7 -13.3 6.4 -19.6 -16.7 47 63 A Q G 3 S+ 0 0 116 1,-0.2 -1,-0.3 33,-0.0 -2,-0.0 0.711 97.0 50.0 -62.0 -18.7 3.8 -21.9 -15.0 48 64 A D G < S+ 0 0 108 -3,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.247 81.7 133.0-103.0 11.2 5.8 -24.7 -16.7 49 65 A M < + 0 0 28 -3,-1.5 2,-0.3 4,-0.1 -3,-0.0 -0.340 29.6 165.4 -62.6 139.8 9.2 -23.5 -15.5 50 66 A N > - 0 0 81 1,-0.0 4,-2.2 -2,-0.0 3,-0.3 -0.900 50.7 -86.9-148.9 177.4 11.3 -26.3 -14.0 51 67 A E H > S+ 0 0 41 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.809 119.0 59.0 -62.0 -37.2 14.9 -27.2 -13.0 52 68 A E H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 110.9 42.1 -59.1 -45.5 16.0 -28.3 -16.4 53 69 A I H > S+ 0 0 20 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.907 111.4 55.7 -69.3 -42.6 15.2 -24.9 -17.9 54 70 A W H X S+ 0 0 16 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.906 110.8 45.3 -52.7 -46.0 16.7 -23.1 -14.9 55 71 A F H X S+ 0 0 16 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.896 113.2 48.5 -68.3 -41.4 20.0 -24.9 -15.4 56 72 A K H X S+ 0 0 116 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.942 115.2 46.2 -60.2 -46.6 20.0 -24.3 -19.2 57 73 A L H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.912 114.5 46.6 -62.3 -46.0 19.2 -20.6 -18.6 58 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.902 111.9 49.7 -67.5 -43.2 21.8 -20.2 -15.9 59 75 A Q H X S+ 0 0 99 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.919 113.7 46.0 -60.8 -44.7 24.6 -21.9 -17.8 60 76 A R H X S+ 0 0 71 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.940 112.7 50.1 -66.7 -45.2 24.0 -19.8 -20.9 61 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.913 110.9 49.4 -56.1 -45.1 23.8 -16.6 -18.8 62 78 A Q H X S+ 0 0 29 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.923 109.2 51.8 -64.1 -44.4 27.1 -17.4 -17.1 63 79 A E H < S+ 0 0 111 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.919 113.5 44.6 -55.1 -46.2 28.8 -18.2 -20.4 64 80 A L H >< S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.2 6,-0.3 0.902 110.7 53.3 -66.8 -42.5 27.7 -14.8 -21.8 65 81 A L H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.842 104.8 56.3 -61.0 -34.4 28.6 -12.9 -18.7 66 82 A D T 3< S+ 0 0 113 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 0.565 87.4 97.0 -73.2 -11.1 32.2 -14.4 -18.8 67 83 A D S X S- 0 0 36 -3,-1.3 3,-2.0 -4,-0.3 -3,-0.0 -0.726 70.4-146.9 -84.5 120.5 32.5 -12.9 -22.4 68 84 A S T 3 S+ 0 0 108 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.714 97.1 61.8 -61.6 -18.5 34.4 -9.6 -22.4 69 85 A R T 3 S+ 0 0 158 -5,-0.1 2,-0.6 -67,-0.0 -66,-0.4 0.571 88.3 83.0 -82.4 -10.3 32.2 -8.5 -25.3 70 86 A I < - 0 0 0 -3,-2.0 -66,-0.2 -6,-0.3 3,-0.1 -0.863 52.0-177.3-102.6 124.2 29.0 -8.7 -23.4 71 87 A Q - 0 0 79 -68,-2.8 2,-0.3 -2,-0.6 -67,-0.2 0.723 65.8 -20.5 -90.1 -24.1 28.1 -5.7 -21.2 72 88 A G E -b 4 0A 0 -69,-0.7 -67,-2.1 25,-0.2 2,-0.4 -0.974 57.7-120.7-176.1 167.4 24.8 -7.1 -19.7 73 89 A V E -bc 5 99A 0 25,-2.2 27,-2.6 -2,-0.3 2,-0.4 -0.992 13.4-165.6-131.0 132.1 22.1 -9.7 -20.0 74 90 A V E -bc 6 100A 0 -69,-2.8 -67,-2.6 -2,-0.4 2,-0.5 -0.963 8.7-163.8-114.9 134.1 18.3 -9.2 -20.3 75 91 A I E -bc 7 101A 0 25,-3.0 27,-2.2 -2,-0.4 2,-0.4 -0.977 8.4-150.6-120.9 122.3 16.0 -12.2 -19.8 76 92 A T E +bc 8 102A 2 -69,-1.7 -67,-1.5 -2,-0.5 2,-0.3 -0.757 30.9 163.4 -91.5 136.3 12.3 -12.1 -21.0 77 93 A H - 0 0 0 25,-2.0 27,-0.2 -2,-0.4 -64,-0.2 -0.994 43.0 -94.9-153.8 145.7 10.2 -14.4 -18.7 78 94 A G - 0 0 0 -2,-0.3 4,-0.3 -34,-0.3 3,-0.3 -0.329 35.7-127.8 -60.1 152.0 6.5 -15.0 -17.9 79 95 A T S S+ 0 0 0 25,-0.4 3,-0.5 1,-0.2 4,-0.5 0.754 91.8 78.7 -78.7 -21.5 5.4 -13.2 -14.7 80 96 A D S S+ 0 0 62 238,-2.3 -1,-0.2 1,-0.2 72,-0.2 0.865 114.8 12.4 -60.5 -42.7 3.9 -16.1 -12.8 81 97 A T S >> S+ 0 0 25 237,-0.4 4,-2.0 -3,-0.3 3,-1.1 0.193 92.2 114.5-118.8 14.4 7.2 -17.6 -11.5 82 98 A L H 3> S+ 0 0 0 -3,-0.5 4,-2.6 -4,-0.3 5,-0.2 0.865 74.2 57.7 -51.1 -41.7 9.5 -14.7 -12.4 83 99 A E H 3> S+ 0 0 5 -4,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.794 108.1 47.1 -62.0 -29.1 10.3 -14.1 -8.7 84 100 A E H <> S+ 0 0 38 -3,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.926 113.8 44.8 -78.7 -47.9 11.5 -17.7 -8.2 85 101 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.887 112.4 54.3 -59.7 -40.8 13.8 -17.7 -11.3 86 102 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.921 110.7 44.3 -63.8 -43.4 15.1 -14.3 -10.4 87 103 A Y H X S+ 0 0 0 -4,-1.3 4,-1.0 60,-0.2 -2,-0.2 0.902 111.2 53.7 -69.1 -39.9 16.1 -15.4 -6.9 88 104 A F H >X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 3,-0.9 0.951 111.5 45.5 -55.6 -50.9 17.7 -18.7 -8.2 89 105 A L H 3X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 3,-0.2 0.868 105.7 61.1 -62.5 -36.3 19.8 -16.7 -10.6 90 106 A N H 3< S+ 0 0 9 -4,-1.9 98,-3.1 1,-0.2 -1,-0.2 0.771 110.7 41.6 -58.6 -28.3 20.8 -14.2 -7.9 91 107 A L H << S+ 0 0 0 -4,-1.0 102,-0.5 -3,-0.9 -1,-0.2 0.700 121.6 35.4 -95.5 -22.0 22.3 -17.1 -5.9 92 108 A V H < S+ 0 0 1 -4,-1.2 103,-0.7 -3,-0.2 2,-0.4 0.658 90.9 92.3-111.0 -21.6 24.1 -19.0 -8.7 93 109 A L < - 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