==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-04 1WNF . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR IHSANAWATI,S.SEKINE,K.MURAYAMA,M.SUGAWARA,M.SHIROUZU, . 648 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 7.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 3 0.5 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 . 56 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 1 0 6 3 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 4 6 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 PARALLEL BRIDGES PER LADDER . 2 4 5 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 . 4 1 0 0 0 0 3 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 0 109 0, 0.0 39,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 103.2 14.3 32.0 -12.2 2 2 A R E -a 40 0A 80 37,-0.1 72,-1.9 2,-0.0 73,-0.8 -0.891 360.0-174.7-122.9 97.9 12.7 29.2 -10.1 3 3 A I E -ab 41 75A 0 37,-2.3 39,-0.7 -2,-0.5 2,-0.4 -0.781 14.5-153.0-102.8 137.2 13.2 29.7 -6.4 4 4 A L E -ab 42 76A 0 71,-2.2 73,-2.4 -2,-0.4 2,-0.5 -0.860 8.7-163.8-103.8 136.2 12.2 27.3 -3.6 5 5 A I E -ab 43 77A 0 37,-2.7 39,-2.4 -2,-0.4 2,-0.3 -0.930 4.4-166.5-127.2 109.5 11.5 28.7 -0.1 6 6 A L E -ab 44 78A 0 71,-2.2 73,-2.4 -2,-0.5 2,-0.5 -0.728 10.0-144.0 -96.1 140.2 11.5 26.4 2.9 7 7 A G E +ab 45 79A 0 37,-2.0 39,-1.9 -2,-0.3 40,-1.8 -0.893 25.1 169.2-109.4 128.7 10.1 27.4 6.3 8 8 A M E - 0 0 2 71,-2.2 41,-1.5 -2,-0.5 2,-0.4 0.483 49.7-121.9-108.1 -8.7 11.6 26.2 9.5 9 9 A G E +a 49 0A 1 70,-0.3 -1,-0.4 39,-0.3 3,-0.2 -0.878 50.4 142.3 105.9-136.6 9.5 28.5 11.7 10 10 A G S > S- 0 0 1 39,-1.7 3,-2.3 -2,-0.4 14,-0.2 -0.126 70.0 -46.8 89.1 174.4 11.2 31.0 13.9 11 11 A T G > S+ 0 0 3 1,-0.3 3,-2.6 2,-0.2 -1,-0.2 0.853 127.6 66.9 -50.7 -41.8 10.6 34.6 15.0 12 12 A I G 3 S+ 0 0 1 68,-0.3 100,-1.1 1,-0.3 -1,-0.3 0.752 110.0 38.4 -54.9 -22.5 9.9 35.7 11.5 13 13 A A G < S+ 0 0 0 -3,-2.3 11,-3.4 98,-0.1 12,-2.1 0.077 97.2 113.9-115.7 21.9 6.8 33.5 11.7 14 14 A S B < -H 23 0B 2 -3,-2.6 99,-0.4 9,-0.3 2,-0.4 -0.419 48.7-151.7 -93.3 168.6 5.8 34.3 15.2 15 15 A V - 0 0 50 7,-1.4 7,-0.4 -2,-0.1 3,-0.1 -0.997 32.8-112.2-140.5 133.7 2.7 36.0 16.7 16 16 A K > + 0 0 110 -2,-0.4 4,-0.5 97,-0.2 7,-0.1 0.544 55.9 171.7 -41.5 -10.8 2.6 37.9 20.0 17 17 A G T 4 - 0 0 41 5,-0.2 -1,-0.1 1,-0.1 4,-0.1 0.107 48.4 -85.3 32.9-135.5 0.3 35.1 21.3 18 18 A E T 4 S+ 0 0 149 2,-0.4 -1,-0.1 -3,-0.1 3,-0.1 0.558 121.8 49.1-131.4 -41.4 -0.4 35.4 25.0 19 19 A R T 4 S- 0 0 108 1,-0.4 583,-0.3 3,-0.0 584,-0.2 -0.173 127.3 -78.2 -95.7 39.0 2.4 33.6 26.8 20 20 A G S < S- 0 0 5 -4,-0.5 -2,-0.4 582,-0.1 -1,-0.4 -0.321 82.2 -21.9 92.6-179.8 5.0 35.6 24.7 21 21 A Y B +i 598 0C 15 576,-1.7 578,-2.2 -4,-0.1 579,-0.2 -0.154 59.2 162.7 -61.9 157.5 6.1 35.0 21.1 22 22 A E - 0 0 49 -7,-0.4 -7,-1.4 576,-0.1 -5,-0.2 -0.762 41.1-103.3-176.2 126.4 5.7 31.6 19.4 23 23 A S B +H 14 0B 10 -9,-0.3 -9,-0.3 -2,-0.2 -12,-0.1 -0.178 55.2 137.2 -57.0 149.8 5.8 30.8 15.7 24 24 A A + 0 0 62 -11,-3.4 -10,-0.2 -14,-0.2 -1,-0.2 0.308 36.4 102.2-161.4 -36.4 2.5 30.1 13.9 25 25 A L - 0 0 17 -12,-2.1 -1,-0.1 1,-0.1 2,-0.1 -0.281 65.1-125.3 -64.9 146.9 2.5 31.8 10.5 26 26 A S > - 0 0 34 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.469 19.9-109.4 -92.6 165.6 3.1 29.7 7.4 27 27 A V H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.805 117.8 51.6 -62.2 -32.8 5.7 30.2 4.6 28 28 A S H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.947 111.3 45.9 -69.8 -49.1 3.1 31.2 2.1 29 29 A K H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.875 109.5 56.5 -61.8 -38.5 1.6 33.9 4.4 30 30 A I H < S+ 0 0 3 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.924 107.1 48.5 -60.2 -46.5 5.1 35.2 5.2 31 31 A L H >< S+ 0 0 16 -4,-1.6 3,-1.6 1,-0.2 5,-0.4 0.977 114.3 43.0 -57.3 -60.4 6.0 35.8 1.6 32 32 A K H >< S+ 0 0 145 -4,-1.9 3,-1.2 1,-0.3 4,-0.3 0.879 108.7 60.8 -53.4 -41.1 2.8 37.7 0.7 33 33 A L T 3< S+ 0 0 95 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.097 101.2 57.6 -76.7 25.2 3.0 39.6 4.0 34 34 A A T < S- 0 0 8 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.010 118.8 -99.8-143.1 27.6 6.4 40.9 2.7 35 35 A G S < S+ 0 0 71 -3,-1.2 2,-0.2 1,-0.1 -3,-0.2 0.961 89.4 111.1 49.0 62.0 5.4 42.6 -0.5 36 36 A I 0 0 51 -5,-0.4 -2,-0.1 -4,-0.3 -1,-0.1 -0.661 360.0 360.0-168.6 105.4 6.6 39.7 -2.7 37 37 A S 0 0 128 -2,-0.2 3,-0.0 -5,-0.1 0, 0.0 -0.891 360.0 360.0-157.8 360.0 4.4 37.4 -4.8 38 ! 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 39 40 A A 0 0 91 0, 0.0 2,-0.9 0, 0.0 -37,-0.1 0.000 360.0 360.0 360.0 139.1 10.0 35.6 -10.5 40 41 A K E +a 2 0A 122 -39,-1.7 -37,-2.3 2,-0.0 2,-0.2 -0.720 360.0 167.7 -85.1 105.8 8.7 32.0 -10.2 41 42 A I E -a 3 0A 27 -2,-0.9 2,-0.3 -39,-0.2 -37,-0.2 -0.516 18.6-165.4-109.1 178.0 8.8 31.1 -6.5 42 43 A E E -a 4 0A 67 -39,-0.7 -37,-2.7 -2,-0.2 2,-0.3 -0.839 8.0-149.5-167.5 126.9 7.3 28.3 -4.4 43 44 A A E +a 5 0A 30 -2,-0.3 2,-0.3 -39,-0.2 -37,-0.2 -0.805 16.1 173.3-107.1 146.5 6.9 27.9 -0.7 44 45 A R E -a 6 0A 66 -39,-2.4 -37,-2.0 -2,-0.3 2,-0.5 -0.982 23.0-137.2-150.5 134.9 7.0 24.7 1.4 45 46 A D E +a 7 0A 68 -2,-0.3 -37,-0.1 -39,-0.2 3,-0.1 -0.836 20.8 173.4 -98.6 124.8 6.9 24.2 5.2 46 47 A L E S- 0 0 27 -39,-1.9 2,-0.3 -2,-0.5 -38,-0.2 0.777 74.0 -35.4 -92.0 -33.2 9.2 21.5 6.7 47 48 A M E - 0 0 22 -40,-1.8 -1,-0.4 2,-0.1 -38,-0.0 -0.963 41.4-130.4-170.7 179.5 8.2 22.6 10.2 48 49 A N E + 0 0 54 -2,-0.3 -39,-0.3 -3,-0.1 2,-0.1 -0.357 37.9 175.4-144.4 56.8 7.3 25.5 12.4 49 50 A V E -a 9 0A 11 -41,-1.5 -39,-1.7 1,-0.1 5,-0.1 -0.397 27.7-116.7 -71.1 140.6 9.5 25.1 15.4 50 51 A D - 0 0 27 -41,-0.1 3,-0.3 -2,-0.1 4,-0.2 0.340 51.9 -59.9 -58.4-162.9 9.5 27.7 18.2 51 52 A S S S+ 0 0 12 1,-0.2 32,-0.3 -30,-0.1 33,-0.1 0.700 123.8 0.8 -60.2 -31.8 12.4 29.9 19.3 52 53 A T S S+ 0 0 1 510,-0.1 -1,-0.2 31,-0.1 513,-0.1 0.192 95.2 105.6-147.9 22.7 15.1 27.4 20.4 53 54 A L + 0 0 10 -3,-0.3 -2,-0.1 510,-0.1 -3,-0.1 0.380 43.0 125.6 -89.4 3.8 13.7 23.9 19.8 54 55 A I - 0 0 12 -4,-0.2 481,-0.4 -5,-0.1 511,-0.1 -0.310 38.5-173.8 -61.5 147.0 15.7 22.9 16.7 55 56 A Q >> - 0 0 34 479,-0.2 3,-1.7 480,-0.1 4,-0.8 -0.968 40.5 -96.8-142.1 157.9 17.6 19.7 17.1 56 57 A P H >> S+ 0 0 4 0, 0.0 4,-1.0 0, 0.0 3,-0.6 0.758 118.6 63.6 -41.6 -37.3 20.1 17.6 15.0 57 58 A S H >> S+ 0 0 51 1,-0.3 4,-1.8 2,-0.2 3,-0.9 0.913 98.5 55.4 -56.6 -44.9 17.4 15.4 13.6 58 59 A D H <> S+ 0 0 0 -3,-1.7 4,-2.5 1,-0.3 -1,-0.3 0.795 99.5 60.5 -60.1 -29.9 15.9 18.5 11.9 59 60 A W H X S+ 0 0 1 -4,-1.1 3,-1.2 -5,-0.2 4,-0.9 0.783 107.6 59.5 -90.1 -33.2 17.2 20.1 -0.0 67 68 A E H 3< S+ 0 0 65 -4,-1.7 3,-0.5 1,-0.3 4,-0.3 0.881 102.2 52.0 -64.6 -40.8 19.2 17.3 -1.7 68 69 A K T 3< S+ 0 0 126 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.082 117.9 39.4 -85.8 27.8 16.2 16.1 -3.7 69 70 A E T <> S+ 0 0 17 -3,-1.2 4,-0.5 -5,-0.0 3,-0.3 0.330 81.5 100.4-147.3 -8.7 15.5 19.6 -5.0 70 71 A V T < S+ 0 0 3 -4,-0.9 3,-0.1 -3,-0.5 -2,-0.1 0.739 91.8 40.2 -57.1 -25.2 19.0 20.9 -5.6 71 72 A W T 4 S+ 0 0 185 -4,-0.3 -1,-0.2 1,-0.1 -3,-0.1 0.726 105.8 61.6 -98.0 -24.9 18.7 20.2 -9.3 72 73 A E T 4 S+ 0 0 123 -3,-0.3 2,-0.3 2,-0.0 -2,-0.2 0.411 107.4 44.0 -83.5 4.3 15.1 21.4 -9.9 73 74 A Y < - 0 0 7 -4,-0.5 -70,-0.2 -3,-0.1 3,-0.1 -0.876 65.5-138.2-140.9 172.9 15.8 25.0 -8.9 74 75 A D S S+ 0 0 77 -72,-1.9 2,-0.3 1,-0.3 -71,-0.2 0.502 88.3 3.7-107.9 -11.6 18.3 27.8 -9.2 75 76 A G E -b 3 0A 0 -73,-0.8 -71,-2.2 26,-0.2 2,-0.4 -0.962 57.9-147.1-170.9 153.7 18.2 28.8 -5.6 76 77 A I E -bc 4 103A 0 26,-3.0 28,-3.3 -2,-0.3 2,-0.4 -0.990 6.9-165.8-132.3 138.4 16.8 28.0 -2.2 77 78 A V E -bc 5 104A 0 -73,-2.4 -71,-2.2 -2,-0.4 2,-0.5 -0.984 6.9-160.2-123.3 133.7 15.9 30.3 0.7 78 79 A I E -bc 6 105A 0 26,-3.1 28,-2.3 -2,-0.4 2,-0.3 -0.923 8.2-149.9-121.1 108.8 15.3 29.0 4.2 79 80 A T E +bc 7 106A 3 -73,-2.4 -71,-2.2 -2,-0.5 -70,-0.3 -0.605 35.9 164.8 -73.6 131.8 13.3 31.0 6.7 80 81 A H - 0 0 0 26,-2.7 -68,-0.3 -2,-0.3 28,-0.3 -0.938 43.0 -93.5-147.8 163.4 14.7 30.1 10.1 81 82 A G - 0 0 10 -2,-0.3 3,-0.5 -71,-0.2 4,-0.3 -0.575 32.8-134.2 -77.6 146.1 14.8 31.2 13.7 82 83 A T S > S+ 0 0 6 26,-0.3 3,-0.8 -2,-0.2 4,-0.5 0.811 92.4 76.9 -72.7 -29.3 17.8 33.3 14.5 83 84 A D T 3 S+ 0 0 13 -32,-0.3 475,-0.2 1,-0.2 -1,-0.2 0.833 116.2 11.4 -50.3 -41.1 18.8 31.4 17.7 84 85 A T T 3> S+ 0 0 3 -3,-0.5 4,-2.2 -33,-0.1 3,-0.3 0.144 90.2 115.3-127.8 22.1 20.3 28.5 15.9 85 86 A M H <> S+ 0 0 0 -3,-0.8 4,-2.9 -4,-0.3 5,-0.2 0.890 79.0 52.6 -59.1 -41.5 20.5 29.7 12.3 86 87 A A H > S+ 0 0 4 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.846 108.4 52.6 -63.7 -33.3 24.4 29.6 12.4 87 88 A Y H > S+ 0 0 2 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.946 112.7 42.3 -67.0 -49.1 24.1 25.9 13.6 88 89 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.932 115.4 49.9 -63.2 -46.3 21.8 24.9 10.8 89 90 A A H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.2 60,-0.2 0.908 112.6 48.1 -58.8 -43.6 23.8 26.8 8.2 90 91 A S H X S+ 0 0 0 -4,-2.2 4,-1.3 58,-0.3 -2,-0.2 0.953 111.6 47.9 -64.8 -48.6 27.1 25.3 9.4 91 92 A M H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.891 109.6 53.2 -61.7 -38.6 25.8 21.7 9.5 92 93 A L H X S+ 0 0 1 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.887 102.9 59.5 -62.4 -37.3 24.3 22.0 6.0 93 94 A S H < S+ 0 0 2 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.864 111.4 39.2 -59.2 -37.5 27.7 23.2 4.7 94 95 A F H < S+ 0 0 0 -4,-1.3 3,-0.3 -3,-0.3 -1,-0.2 0.887 119.9 45.2 -80.0 -40.2 29.4 20.0 5.8 95 96 A M H < S+ 0 0 0 -4,-2.4 99,-2.8 1,-0.2 2,-0.8 0.878 114.7 46.3 -71.6 -40.7 26.5 17.7 4.8 96 97 A L E < S-J 193 0D 2 -4,-3.3 2,-0.3 97,-0.2 -1,-0.2 -0.689 79.5-173.1-107.7 80.6 25.8 19.3 1.3 97 98 A R E +J 192 0D 40 95,-1.1 95,-1.7 -2,-0.8 -3,-0.1 -0.544 64.3 11.0 -79.4 135.1 29.3 19.6 -0.2 98 99 A N S S- 0 0 9 -2,-0.3 -1,-0.2 93,-0.2 -5,-0.0 0.894 78.9-158.6 69.7 45.3 29.7 21.5 -3.5 99 100 A P - 0 0 2 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.317 7.9-152.7 -56.5 129.0 26.1 23.0 -3.7 100 101 A P S S+ 0 0 36 0, 0.0 35,-0.1 0, 0.0 -2,-0.0 0.656 75.3 40.3 -78.1 -16.4 25.4 23.8 -7.4 101 102 A I S S- 0 0 15 33,-0.1 35,-1.4 34,-0.0 2,-0.5 -0.794 97.2 -84.6-128.5 169.7 23.0 26.6 -6.5 102 103 A P E - d 0 136A 3 0, 0.0 -26,-3.0 0, 0.0 2,-0.6 -0.655 37.9-172.0 -79.0 119.2 22.6 29.4 -3.9 103 104 A I E -cd 76 137A 1 33,-2.7 35,-2.6 -2,-0.5 2,-0.4 -0.954 10.4-178.1-112.5 115.9 21.1 28.2 -0.6 104 105 A V E -cd 77 138A 0 -28,-3.3 -26,-3.1 -2,-0.6 2,-0.4 -0.954 14.9-158.0-122.4 135.4 20.4 31.1 1.7 105 106 A L E +cd 78 139A 0 33,-2.2 35,-2.2 -2,-0.4 2,-0.3 -0.871 21.0 165.3-108.0 140.7 19.0 31.2 5.2 106 107 A T E +c 79 0A 0 -28,-2.3 -26,-2.7 -2,-0.4 2,-0.2 -0.904 8.4 153.3-144.4 173.2 17.3 34.2 6.7 107 108 A G - 0 0 0 33,-0.4 2,-0.3 -2,-0.3 -26,-0.1 -0.783 29.0-120.0-170.2-149.1 15.1 35.2 9.6 108 109 A S - 0 0 0 -28,-0.3 -26,-0.3 -2,-0.2 -96,-0.2 -0.952 16.4-127.5-172.7 155.8 14.4 38.4 11.6 109 110 A M S S+ 0 0 11 -2,-0.3 -1,-0.1 1,-0.1 8,-0.0 0.682 101.1 42.0 -83.2 -19.4 14.5 39.8 15.1 110 111 A L S S- 0 0 38 -3,-0.1 9,-0.4 4,-0.1 8,-0.2 -0.975 93.1-107.9-128.7 142.3 10.9 40.9 14.9 111 112 A P - 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