==== 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 25-JUN-09 2WLT . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR P.DHAVALA,A.C.PAPAGEORGIOU . 327 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 6.1 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 . 1 0.3 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 23.9 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 2 0 0 0 1 0 1 1 1 1 1 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 . 2 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 0 127 0, 0.0 44,-0.2 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 156.3 26.8 1.0 -28.2 2 6 A P - 0 0 40 0, 0.0 44,-2.8 0, 0.0 2,-0.6 -0.390 360.0-122.2 -67.6 152.8 26.9 -1.7 -25.4 3 7 A T E -a 46 0A 10 77,-0.3 79,-3.0 42,-0.2 80,-0.8 -0.866 25.9-170.2 -99.0 127.5 25.8 -5.2 -26.3 4 8 A I E -ab 47 83A 0 42,-2.8 44,-2.5 -2,-0.6 2,-0.4 -0.983 16.2-139.9-113.2 126.8 23.0 -6.7 -24.2 5 9 A A E -ab 48 84A 0 78,-2.3 80,-2.9 -2,-0.5 2,-0.6 -0.702 14.6-155.9 -81.3 135.3 22.1 -10.4 -24.5 6 10 A L E -ab 49 85A 0 42,-2.6 44,-2.8 -2,-0.4 2,-0.7 -0.967 6.7-167.6-115.6 116.9 18.4 -10.9 -24.5 7 11 A L E -ab 50 86A 0 78,-2.9 80,-1.8 -2,-0.6 2,-0.4 -0.926 8.0-156.9-108.1 111.6 17.4 -14.4 -23.3 8 12 A A E +ab 51 87A 2 42,-3.0 44,-3.3 -2,-0.7 45,-1.7 -0.773 23.4 167.4 -93.2 134.2 13.7 -15.2 -24.0 9 13 A T E - 0 0 0 78,-1.8 46,-2.4 -2,-0.4 2,-0.4 0.513 51.1-108.1-116.5 -9.3 11.9 -17.8 -22.0 10 14 A G E +a 55 0A 0 44,-0.3 -1,-0.3 77,-0.2 3,-0.3 -0.914 53.5 145.5 116.1-138.8 8.2 -17.1 -23.0 11 15 A G S > S- 0 0 0 44,-1.2 3,-2.5 -2,-0.4 17,-0.2 -0.132 72.2 -60.8 88.9 165.4 5.5 -15.5 -20.8 12 16 A T G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 107,-0.8 0.792 128.3 71.8 -58.1 -24.4 2.6 -13.1 -21.4 13 17 A I G 3 S+ 0 0 6 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.2 0.827 110.2 32.5 -60.0 -27.2 5.2 -10.6 -22.7 14 18 A A G < S+ 0 0 3 -3,-2.5 15,-3.5 12,-0.4 14,-0.5 0.157 99.2 120.5-109.5 16.1 5.4 -13.1 -25.6 15 19 A G < + 0 0 0 -3,-2.0 104,-1.6 13,-0.2 105,-0.4 -0.567 34.2 150.1 -85.9 152.7 1.8 -14.1 -25.5 16 20 A S B H 25 0B 28 9,-1.3 9,-1.8 -2,-0.2 -2,-0.1 -0.829 360.0 360.0-156.3-170.9 -0.6 -13.6 -28.4 17 21 A G 0 0 93 -2,-0.2 7,-0.1 7,-0.2 3,-0.1 0.025 360.0 360.0-179.5 360.0 -3.6 -14.6 -30.5 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 24 A A > 0 0 31 0, 0.0 3,-1.8 0, 0.0 99,-0.2 0.000 360.0 360.0 360.0 164.2 -6.0 -11.1 -28.3 20 25 A S T 3 + 0 0 48 1,-0.3 102,-2.6 101,-0.2 3,-0.1 0.728 360.0 35.6 -70.2 -17.1 -6.8 -7.4 -27.9 21 26 A L T 3 S- 0 0 161 1,-0.4 2,-0.4 100,-0.2 -1,-0.3 -0.155 132.0 -77.9-123.1 34.0 -9.2 -8.1 -25.0 22 27 A G S < S+ 0 0 27 -3,-1.8 -1,-0.4 1,-0.2 98,-0.1 -0.873 82.5 126.5 102.5-145.4 -7.4 -11.0 -23.4 23 28 A S + 0 0 82 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.960 45.9 120.4 51.8 86.8 -7.8 -14.4 -25.1 24 29 A Y - 0 0 86 -7,-0.1 2,-0.4 -4,-0.1 -7,-0.2 -0.974 60.4-112.6-164.9 165.7 -4.2 -15.5 -25.6 25 30 A K B > -H 16 0B 165 -9,-1.8 -9,-1.3 -2,-0.3 3,-0.7 -0.947 27.5-132.8-115.6 143.0 -1.5 -18.2 -24.8 26 31 A S T 3 S+ 0 0 17 -2,-0.4 -12,-0.4 1,-0.3 -11,-0.1 0.590 93.5 41.6 -48.0 -64.4 1.4 -17.3 -22.7 27 32 A G T 3 S+ 0 0 19 27,-0.2 -1,-0.3 -13,-0.1 -12,-0.2 -0.733 80.6 109.8 131.8 -11.4 4.2 -18.6 -24.5 28 33 A E < + 0 0 47 -3,-0.7 2,-0.2 -14,-0.5 -13,-0.2 0.802 49.3 65.3-100.4 -46.6 3.7 -17.9 -28.2 29 34 A L S S- 0 0 28 -15,-3.5 -19,-0.1 -3,-0.1 5,-0.0 -0.621 74.9-111.7 -99.3 156.5 5.8 -15.4 -30.2 30 35 A G >> - 0 0 21 -2,-0.2 3,-1.4 1,-0.1 4,-1.0 -0.231 30.9-100.0 -78.7 165.7 9.5 -15.7 -30.8 31 36 A V T 34 S+ 0 0 21 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.488 116.5 58.2 -64.6 2.6 12.4 -13.6 -29.4 32 37 A K T 3> S+ 0 0 101 2,-0.1 4,-0.8 3,-0.1 -1,-0.3 0.758 96.8 55.1-108.1 -12.0 12.6 -11.6 -32.6 33 38 A E H X> S+ 0 0 82 -3,-1.4 3,-0.7 2,-0.2 4,-0.6 0.881 98.6 66.1 -79.4 -28.5 9.2 -10.2 -32.8 34 39 A L H >< S+ 0 0 18 -4,-1.0 3,-0.7 1,-0.3 -1,-0.2 0.879 101.4 50.0 -52.4 -43.1 9.6 -8.7 -29.3 35 40 A L H >4 S+ 0 0 17 -4,-0.4 3,-1.3 1,-0.2 -1,-0.3 0.850 95.3 71.5 -72.7 -23.7 12.2 -6.4 -30.7 36 41 A K H << S+ 0 0 130 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.817 90.8 59.1 -65.9 -17.2 10.2 -5.1 -33.7 37 42 A A T << S+ 0 0 80 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.1 0.327 112.7 28.2-100.6 20.7 7.9 -3.0 -31.6 38 43 A I < + 0 0 33 -3,-1.3 2,-0.1 92,-0.0 -2,-0.1 0.641 60.2 156.3-134.5 -61.7 10.3 -0.7 -29.9 39 44 A P + 0 0 56 0, 0.0 -3,-0.0 0, 0.0 -4,-0.0 0.373 57.9 94.6 9.7 36.3 13.6 0.1 -31.8 40 45 A S S > S+ 0 0 41 -2,-0.1 3,-1.3 2,-0.1 4,-0.3 0.288 77.9 80.9 -77.5 -10.9 14.4 3.3 -30.3 41 46 A L G >> S+ 0 0 1 1,-0.3 3,-2.6 2,-0.2 4,-2.0 0.891 76.0 62.3 -54.8 -43.0 16.1 0.3 -28.6 42 47 A N G 34 S+ 0 0 111 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.699 95.7 63.4 -67.8 -11.4 18.7 0.3 -31.3 43 48 A K G <4 S+ 0 0 165 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.593 112.8 31.3 -79.3 -16.6 19.6 3.8 -30.0 44 49 A I T <4 S+ 0 0 37 -3,-2.6 2,-0.3 1,-0.4 -2,-0.2 0.671 124.8 2.8-120.2 -15.9 20.6 2.4 -26.6 45 50 A A < - 0 0 2 -4,-2.0 2,-0.6 -44,-0.2 -1,-0.4 -0.986 58.3-116.4-161.9 150.2 22.1 -1.1 -27.1 46 51 A R E -a 3 0A 144 -44,-2.8 -42,-2.8 -2,-0.3 2,-0.5 -0.873 42.0-146.4 -82.8 122.4 23.0 -3.8 -29.6 47 52 A I E -a 4 0A 39 -2,-0.6 2,-0.8 -44,-0.2 -42,-0.2 -0.838 16.4-167.5-102.6 125.5 20.7 -6.6 -28.7 48 53 A Q E -a 5 0A 61 -44,-2.5 -42,-2.6 -2,-0.5 2,-0.3 -0.895 23.5-168.6-108.3 95.8 21.8 -10.2 -29.1 49 54 A G E +a 6 0A 38 -2,-0.8 2,-0.3 -44,-0.2 -42,-0.2 -0.646 14.9 164.1 -95.8 150.2 18.6 -12.2 -28.7 50 55 A E E -a 7 0A 49 -44,-2.8 -42,-3.0 -2,-0.3 2,-0.6 -0.992 34.9-117.3-154.1 157.6 18.1 -15.8 -28.3 51 56 A Q E +a 8 0A 60 -2,-0.3 -42,-0.2 -44,-0.2 3,-0.1 -0.831 26.4 171.1 -95.6 121.2 15.4 -18.2 -27.2 52 57 A V E S- 0 0 6 -44,-3.3 2,-0.3 -2,-0.6 -43,-0.2 0.805 74.8 -24.0 -90.2 -40.4 16.1 -20.3 -24.1 53 58 A S E - 0 0 19 -45,-1.7 -1,-0.5 2,-0.1 2,-0.1 -0.941 50.3-138.5-156.1 171.9 12.6 -21.6 -23.9 54 59 A N E + 0 0 64 -2,-0.3 -44,-0.3 -3,-0.1 2,-0.3 -0.572 56.2 118.0-141.8 76.5 9.1 -20.7 -25.0 55 60 A I E -a 10 0A 41 -46,-2.4 -44,-1.2 -2,-0.1 34,-0.3 -0.922 69.0 -99.4-134.3 157.7 6.7 -21.5 -22.1 56 61 A G > - 0 0 7 -2,-0.3 3,-2.4 -46,-0.2 -2,-0.1 -0.590 42.7-118.6 -70.9 147.7 4.4 -19.8 -19.7 57 62 A S G > S+ 0 0 0 272,-2.4 3,-1.7 1,-0.3 -1,-0.1 0.666 109.7 76.9 -71.7 -11.4 6.2 -19.4 -16.5 58 63 A Q G 3 S+ 0 0 111 1,-0.2 -1,-0.3 271,-0.1 -2,-0.0 0.668 96.8 50.5 -64.1 -13.7 3.7 -21.6 -14.7 59 64 A D G < S+ 0 0 100 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.207 81.4 132.3-106.5 14.9 5.7 -24.4 -16.5 60 65 A M < + 0 0 26 -3,-1.7 2,-0.3 4,-0.1 -3,-0.0 -0.392 29.7 161.8 -65.5 141.3 9.1 -23.1 -15.2 61 66 A N > - 0 0 78 -2,-0.0 4,-2.4 1,-0.0 5,-0.1 -0.876 53.2 -86.0-154.0 178.6 11.1 -25.9 -13.8 62 67 A E H > S+ 0 0 36 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.803 119.0 61.2 -70.2 -30.8 14.7 -26.8 -12.9 63 68 A E H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.944 112.4 39.3 -59.9 -44.2 15.7 -28.0 -16.4 64 69 A I H > S+ 0 0 19 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.906 112.5 56.0 -73.4 -38.3 14.9 -24.6 -17.7 65 70 A W H X S+ 0 0 12 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.922 111.3 44.7 -54.0 -44.2 16.4 -22.8 -14.7 66 71 A F H X S+ 0 0 32 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.904 114.1 47.9 -73.2 -38.0 19.7 -24.6 -15.3 67 72 A K H X S+ 0 0 119 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.941 115.9 45.8 -60.7 -46.3 19.7 -24.0 -19.0 68 73 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.943 114.9 46.2 -60.0 -49.6 18.9 -20.3 -18.4 69 74 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.911 112.6 50.5 -64.1 -39.9 21.5 -19.9 -15.7 70 75 A Q H X S+ 0 0 102 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.926 113.3 44.7 -65.7 -44.1 24.2 -21.7 -17.7 71 76 A R H X S+ 0 0 63 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.936 113.8 50.2 -65.7 -43.6 23.6 -19.5 -20.8 72 77 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 -2,-0.2 0.945 111.1 48.6 -61.1 -43.1 23.4 -16.4 -18.7 73 78 A Q H X S+ 0 0 29 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.918 110.3 51.3 -63.7 -43.0 26.7 -17.2 -16.9 74 79 A E H < S+ 0 0 99 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.931 113.8 44.3 -60.6 -42.2 28.4 -18.0 -20.3 75 80 A L H >< S+ 0 0 3 -4,-2.4 3,-1.2 1,-0.2 6,-0.3 0.921 111.4 52.9 -69.0 -40.9 27.3 -14.6 -21.7 76 81 A L H 3< S+ 0 0 3 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.851 106.1 54.9 -62.8 -31.4 28.2 -12.7 -18.5 77 82 A D T 3< S+ 0 0 114 -4,-2.1 2,-0.5 -5,-0.2 -1,-0.3 0.618 89.2 95.4 -73.6 -14.5 31.7 -14.3 -18.7 78 83 A D S X S- 0 0 32 -3,-1.2 3,-2.1 -4,-0.5 -3,-0.0 -0.691 70.6-146.7 -83.1 125.0 32.1 -12.9 -22.3 79 84 A S T 3 S+ 0 0 103 -2,-0.5 -1,-0.2 1,-0.3 -4,-0.0 0.695 97.9 62.7 -64.8 -14.9 33.9 -9.5 -22.4 80 85 A R T 3 S+ 0 0 161 -5,-0.1 2,-0.5 -78,-0.1 -1,-0.3 0.594 89.2 80.2 -86.1 -5.0 31.8 -8.6 -25.4 81 86 A I < - 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0 0 2 -4,-2.5 2,-0.6 -5,-0.2 98,-0.2 -0.629 56.8-157.4 -82.4 141.2 25.1 -16.4 -11.1 105 110 A H + 0 0 56 -2,-0.3 2,-0.3 95,-0.1 94,-0.1 -0.836 47.6 99.5-123.6 92.5 28.6 -15.0 -10.5 106 111 A S - 0 0 19 -2,-0.6 94,-0.5 2,-0.1 40,-0.2 -0.945 58.9-142.8-163.1 151.8 29.0 -11.7 -12.2 107 112 A T S S+ 0 0 64 -2,-0.3 37,-2.4 -31,-0.1 38,-0.3 0.543 74.7 102.2 -92.7 -9.2 29.0 -8.0 -11.4 108 113 A K S S- 0 0 55 35,-0.2 -25,-0.2 1,-0.1 2,-0.1 -0.423 86.3 -89.2 -74.4 152.6 27.3 -7.1 -14.7 109 114 A P - 0 0 7 0, 0.0 -25,-2.4 0, 0.0 2,-0.4 -0.364 36.2-171.4 -69.9 137.8 23.6 -6.4 -14.7 110 115 A V E -c 84 0A 6 36,-0.4 38,-3.0 32,-0.2 2,-0.4 -0.999 12.1-173.2-120.7 121.2 21.1 -9.2 -15.1 111 116 A V E -cd 85 148A 0 -27,-2.6 -25,-2.8 -2,-0.4 2,-0.4 -0.986 12.1-158.3-124.5 122.7 17.5 -7.9 -15.5 112 117 A L E +cd 86 149A 0 36,-2.6 38,-2.3 -2,-0.4 2,-0.3 -0.815 19.4 173.3 -96.8 143.9 14.3 -10.0 -15.7 113 118 A V E +c 87 0A 0 -27,-2.3 -25,-2.3 -2,-0.4 2,-0.2 -0.989 6.1 164.3-148.1 145.7 11.2 -8.4 -17.3 114 119 A G - 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