==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-AUG-12 4GDW . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.NOMME,A.LAVIE . 592 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21430.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 23.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 0.2 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 . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 0 0 0 2 0 0 5 3 0 0 2 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 0 4 9 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 2 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 0 A H 0 0 200 0, 0.0 164,-0.2 0, 0.0 163,-0.1 0.000 360.0 360.0 360.0 159.6 16.9 -28.1 -12.6 2 1 A M - 0 0 68 162,-1.3 164,-0.1 161,-0.2 258,-0.1 -0.217 360.0-112.3 -73.9 155.2 16.1 -26.3 -9.3 3 2 A N - 0 0 93 1,-0.1 -1,-0.1 163,-0.0 2,-0.1 -0.723 42.8-119.3 -75.7 130.5 14.7 -27.7 -6.1 4 3 A P - 0 0 25 0, 0.0 274,-0.5 0, 0.0 2,-0.3 -0.428 33.8-175.7 -75.3 153.9 11.2 -26.2 -5.7 5 4 A I E -A 162 0A 0 157,-2.1 157,-2.3 272,-0.1 2,-0.4 -0.958 11.2-168.9-149.8 132.0 10.4 -24.0 -2.7 6 5 A V E -AB 161 276A 0 270,-1.6 270,-2.3 -2,-0.3 2,-0.4 -0.906 2.6-170.6-112.7 144.7 7.3 -22.3 -1.4 7 6 A V E -AB 160 275A 0 153,-2.6 153,-2.4 -2,-0.4 2,-0.3 -0.991 8.3-172.3-129.6 131.3 7.1 -19.7 1.4 8 7 A V E -AB 159 274A 0 266,-3.5 266,-2.5 -2,-0.4 2,-0.3 -0.846 5.5-164.1-113.7 155.8 3.8 -18.6 2.8 9 8 A H E -AB 158 273A 0 149,-1.8 149,-2.2 -2,-0.3 264,-0.3 -0.977 17.3-155.7-132.5 155.3 2.8 -15.8 5.3 10 9 A G - 0 0 14 262,-3.4 53,-0.3 -2,-0.3 263,-0.1 0.012 60.7 -93.1-114.4 20.8 -0.3 -15.2 7.3 11 10 A G - 0 0 2 261,-0.4 -1,-0.3 260,-0.1 2,-0.1 0.296 42.8 -65.1 92.7 150.7 0.3 -11.5 7.6 12 11 A G + 0 0 18 259,-0.2 2,-0.3 240,-0.1 259,-0.2 -0.413 59.9 170.2 -66.4 145.6 1.9 -8.9 10.0 13 12 A A B -J 270 0B 33 257,-2.6 257,-2.3 238,-0.1 256,-0.6 -0.970 36.5-111.6-150.5 163.3 0.2 -8.7 13.3 14 13 A G S S- 0 0 39 -2,-0.3 256,-0.2 1,-0.3 -1,-0.1 -0.010 80.3 -35.9 -71.2-165.7 0.4 -7.2 16.8 15 14 A P - 0 0 113 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.224 66.2-139.0 -51.4 145.7 1.0 -9.7 19.6 16 15 A I - 0 0 27 -3,-0.1 269,-0.0 253,-0.1 -3,-0.0 -0.965 13.2-130.4-116.9 131.4 -0.9 -13.1 19.1 17 16 A S > - 0 0 61 -2,-0.4 4,-1.5 1,-0.1 -1,-0.0 0.013 28.3 -97.9 -70.1 177.5 -2.6 -14.9 22.0 18 17 A K H > S+ 0 0 189 2,-0.2 4,-1.2 1,-0.2 3,-0.1 0.952 117.6 43.2 -63.0 -56.7 -2.3 -18.6 23.0 19 18 A D H > S+ 0 0 113 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.924 115.6 48.0 -58.4 -50.1 -5.4 -20.0 21.2 20 19 A R H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.831 103.4 64.0 -60.8 -35.8 -4.9 -18.1 18.0 21 20 A K H X S+ 0 0 53 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.887 105.5 41.0 -61.4 -46.3 -1.2 -19.1 17.8 22 21 A E H X S+ 0 0 108 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.865 113.9 52.8 -72.3 -36.0 -1.7 -22.8 17.4 23 22 A R H X S+ 0 0 78 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.869 105.8 55.5 -65.3 -38.0 -4.7 -22.4 15.0 24 23 A V H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.890 103.4 57.0 -56.4 -41.8 -2.4 -20.2 12.9 25 24 A H H X S+ 0 0 47 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.935 105.1 49.1 -54.5 -51.0 0.0 -23.1 12.8 26 25 A Q H X S+ 0 0 89 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.920 112.2 46.7 -59.9 -50.8 -2.5 -25.5 11.3 27 26 A G H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.860 112.7 51.0 -57.9 -40.2 -3.6 -23.2 8.5 28 27 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.858 110.1 47.6 -68.7 -38.9 -0.1 -22.3 7.6 29 28 A V H X S+ 0 0 32 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.889 110.7 53.3 -70.5 -39.8 1.1 -25.9 7.3 30 29 A R H X S+ 0 0 142 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.941 113.0 42.8 -54.1 -52.5 -2.0 -26.7 5.2 31 30 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.912 114.4 48.2 -68.2 -45.8 -1.2 -23.9 2.7 32 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.836 113.2 51.9 -59.7 -33.0 2.6 -24.6 2.6 33 32 A T H X S+ 0 0 68 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.879 109.0 47.7 -72.2 -42.7 1.6 -28.3 2.0 34 33 A V H X S+ 0 0 68 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.945 115.3 45.7 -63.0 -49.0 -0.8 -27.5 -0.9 35 34 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.938 116.3 44.0 -59.0 -51.0 1.8 -25.3 -2.6 36 35 A Y H X S+ 0 0 23 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.896 109.7 57.8 -62.5 -42.2 4.7 -27.7 -2.1 37 36 A G H X S+ 0 0 20 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.960 108.2 46.6 -49.3 -55.7 2.4 -30.6 -3.2 38 37 A I H ><>S+ 0 0 44 -4,-2.5 5,-2.3 1,-0.2 3,-1.1 0.913 113.2 49.8 -50.6 -49.0 1.9 -28.7 -6.4 39 38 A L H ><5S+ 0 0 2 -4,-2.2 3,-1.1 1,-0.3 125,-0.3 0.871 108.0 51.0 -63.7 -40.2 5.6 -28.0 -6.8 40 39 A R H 3<5S+ 0 0 157 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.560 108.5 58.0 -69.5 -8.8 6.7 -31.7 -6.1 41 40 A E T <<5S- 0 0 166 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.098 123.2 -96.4-114.0 19.8 4.2 -32.6 -8.8 42 41 A G T < 5S+ 0 0 60 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.489 77.8 143.2 77.5 4.6 5.5 -30.6 -11.8 43 42 A G < - 0 0 18 -5,-2.3 121,-0.3 -6,-0.2 -1,-0.2 -0.321 51.4 -99.5 -73.7 161.4 3.1 -27.7 -11.2 44 43 A S > - 0 0 36 119,-0.1 4,-2.4 1,-0.1 -1,-0.1 -0.254 21.5-114.4 -80.5 163.1 4.1 -24.1 -11.7 45 44 A A H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.919 120.8 53.6 -58.3 -41.8 5.1 -21.5 -9.2 46 45 A V H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.935 109.6 45.7 -58.8 -51.1 1.9 -19.6 -10.2 47 46 A D H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 114.2 50.9 -56.7 -40.2 -0.2 -22.7 -9.4 48 47 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.968 113.1 42.3 -64.5 -54.2 1.7 -23.2 -6.2 49 48 A V H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 5,-0.2 0.891 115.8 50.5 -60.7 -42.3 1.2 -19.6 -4.9 50 49 A E H X S+ 0 0 37 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.941 111.5 49.0 -58.0 -48.2 -2.4 -19.6 -6.0 51 50 A G H X S+ 0 0 13 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.902 110.8 48.8 -60.7 -48.0 -3.0 -22.9 -4.2 52 51 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.957 114.3 44.7 -52.9 -57.3 -1.4 -21.8 -1.0 53 52 A V H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 -2,-0.2 0.910 108.4 55.9 -62.3 -46.0 -3.3 -18.5 -0.8 54 53 A V H X S+ 0 0 25 -4,-2.7 4,-3.5 2,-0.2 5,-0.3 0.922 106.6 53.6 -45.8 -48.0 -6.7 -20.1 -1.7 55 54 A A H X S+ 0 0 25 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.911 113.9 40.5 -54.2 -47.7 -6.1 -22.4 1.3 56 55 A L H < S+ 0 0 0 -4,-1.8 6,-0.4 2,-0.2 -1,-0.2 0.780 113.4 55.4 -73.2 -29.8 -5.6 -19.3 3.5 57 56 A E H < S+ 0 0 0 -4,-3.4 9,-1.6 -5,-0.2 -2,-0.2 0.942 109.4 45.7 -64.3 -48.4 -8.5 -17.5 1.7 58 57 A D H < S+ 0 0 87 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.811 96.1 89.2 -64.7 -30.4 -10.9 -20.4 2.5 59 58 A D S >< S- 0 0 23 -4,-1.2 3,-1.5 -5,-0.3 5,-0.2 -0.551 70.5-149.8 -72.8 121.2 -9.7 -20.5 6.1 60 59 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 0.667 89.3 75.3 -67.8 -12.7 -11.7 -18.1 8.4 61 60 A E T 3 S+ 0 0 41 -38,-0.1 2,-0.4 2,-0.1 6,-0.1 0.614 88.8 69.5 -73.4 -10.7 -8.7 -17.7 10.6 62 61 A F S < S- 0 0 6 -3,-1.5 2,-2.5 4,-0.4 95,-0.1 -0.881 88.1-114.1-119.1 145.7 -6.9 -15.4 8.0 63 62 A N S S+ 0 0 31 -2,-0.4 112,-1.0 -53,-0.3 113,-0.3 -0.414 88.9 74.1 -72.7 70.7 -7.6 -11.9 6.8 64 63 A A S S- 0 0 0 -2,-2.5 -2,-0.2 2,-0.3 2,-0.2 -0.843 98.6 -13.4-177.0 143.5 -8.5 -12.9 3.2 65 64 A G S > S+ 0 0 0 109,-0.3 3,-1.2 -2,-0.2 2,-0.4 -0.421 131.4 19.3 59.1-124.7 -11.5 -14.5 1.5 66 65 A C T 3 S+ 0 0 32 -9,-1.6 -4,-0.4 34,-0.3 -2,-0.3 -0.629 134.1 31.7 -69.8 125.4 -13.6 -16.0 4.3 67 66 A G T 3 S+ 0 0 4 73,-2.4 -1,-0.2 -2,-0.4 74,-0.1 0.589 83.0 155.2 96.6 11.5 -12.6 -14.2 7.5 68 67 A S < - 0 0 0 -3,-1.2 74,-0.3 72,-0.5 -1,-0.3 -0.420 50.7-104.2 -63.3 144.0 -11.7 -10.9 5.9 69 68 A V - 0 0 15 107,-0.2 8,-0.5 -2,-0.1 2,-0.3 -0.299 42.4-112.8 -62.0 157.3 -11.9 -7.8 8.1 70 69 A L B -K 76 0C 5 75,-0.3 109,-2.5 6,-0.1 110,-0.4 -0.723 21.5-125.4-102.8 147.8 -15.0 -5.7 7.5 71 70 A N > - 0 0 2 4,-3.6 3,-1.5 -2,-0.3 108,-0.2 0.009 48.4 -75.2 -75.5-168.9 -15.1 -2.2 6.0 72 71 A T T 3 S+ 0 0 40 108,-2.2 109,-0.1 1,-0.3 -1,-0.1 0.729 132.1 48.3 -66.8 -19.2 -16.7 0.9 7.6 73 72 A N T 3 S- 0 0 103 107,-0.2 -1,-0.3 2,-0.2 3,-0.1 -0.079 121.7 -97.8-112.1 34.1 -20.2 -0.5 6.6 74 73 A G S < S+ 0 0 32 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.658 84.7 127.8 64.5 19.4 -19.9 -4.1 7.9 75 74 A E - 0 0 102 66,-0.0 -4,-3.6 22,-0.0 2,-0.6 -0.795 62.0-118.3-112.2 149.7 -19.0 -5.3 4.4 76 75 A V B -K 70 0C 7 -2,-0.3 2,-0.4 -6,-0.2 22,-0.3 -0.761 30.1-179.8 -86.8 120.8 -16.2 -7.5 3.1 77 76 A E - 0 0 6 -2,-0.6 2,-0.4 -8,-0.5 20,-0.2 -0.992 11.2-164.7-120.5 127.2 -14.0 -5.7 0.5 78 77 A M E -C 96 0A 0 18,-2.2 18,-3.1 -2,-0.4 2,-0.4 -0.905 15.5-170.8-122.9 140.5 -11.1 -7.8 -0.9 79 78 A D E + D 0 174A 0 95,-1.3 95,-2.4 -2,-0.4 2,-0.3 -0.940 16.2 164.1-116.9 147.5 -7.9 -7.1 -2.9 80 79 A A E -CD 93 173A 0 13,-2.5 13,-2.9 -2,-0.4 2,-0.3 -0.968 10.2-176.2-155.2 151.6 -5.7 -9.7 -4.4 81 80 A S E -CD 92 172A 0 91,-2.8 91,-2.5 -2,-0.3 2,-0.3 -0.993 5.1-169.4-145.5 155.2 -2.9 -10.0 -6.9 82 81 A I E -CD 91 171A 0 9,-2.7 9,-2.5 -2,-0.3 2,-0.3 -0.952 7.2-171.8-136.5 152.3 -0.8 -12.6 -8.6 83 82 A M E -CD 90 170A 0 87,-2.0 87,-1.7 -2,-0.3 2,-0.5 -0.977 15.4-146.6-152.1 136.8 2.4 -12.3 -10.8 84 83 A D E > - D 0 169A 26 5,-3.1 4,-1.2 -2,-0.3 5,-0.4 -0.905 11.1-150.3-105.6 126.6 4.5 -14.7 -12.9 85 84 A G T 4 S+ 0 0 0 83,-3.0 114,-1.8 -2,-0.5 115,-0.4 0.693 81.8 73.4 -70.5 -24.4 8.2 -13.9 -13.1 86 85 A K T 4 S- 0 0 132 82,-0.3 -1,-0.2 1,-0.2 114,-0.1 0.965 125.0 -0.3 -55.2 -56.9 9.0 -15.3 -16.5 87 86 A D T 4 S- 0 0 58 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.337 100.6-106.5-117.1 -4.5 7.4 -12.6 -18.5 88 87 A L < + 0 0 0 -4,-1.2 -3,-0.2 1,-0.2 109,-0.0 0.641 58.1 170.8 72.3 18.4 6.0 -10.4 -15.7 89 88 A S + 0 0 29 -5,-0.4 -5,-3.1 -6,-0.1 2,-0.3 -0.330 11.2 172.4 -51.5 138.8 2.5 -11.6 -16.5 90 89 A A E -C 83 0A 3 -7,-0.2 2,-0.3 20,-0.2 -7,-0.2 -0.988 24.7-170.9-155.4 155.2 0.2 -10.4 -13.8 91 90 A G E +C 82 0A 0 -9,-2.5 -9,-2.7 -2,-0.3 2,-0.3 -0.989 11.6 171.3-148.0 152.7 -3.4 -10.1 -12.6 92 91 A A E -C 81 0A 0 -2,-0.3 26,-2.4 -11,-0.2 2,-0.4 -0.991 17.0-159.9-162.2 152.5 -5.2 -8.3 -9.8 93 92 A V E -Ce 80 118A 0 -13,-2.9 -13,-2.5 -2,-0.3 2,-0.4 -0.991 10.6-162.1-131.9 138.3 -8.5 -7.3 -8.3 94 93 A S E + e 0 119A 0 24,-2.1 26,-2.4 -2,-0.4 -15,-0.2 -0.969 69.1 0.8-122.8 147.6 -9.4 -4.6 -5.9 95 94 A A E S+ 0 0 0 -2,-0.4 2,-0.2 89,-0.2 -16,-0.2 0.896 81.3 168.3 45.4 53.5 -12.4 -4.1 -3.7 96 95 A V E -C 78 0A 4 -18,-3.1 -18,-2.2 -3,-0.2 2,-0.3 -0.643 11.5-168.1 -91.4 153.9 -14.1 -7.3 -4.8 97 96 A Q + 0 0 67 -2,-0.2 -20,-0.1 23,-0.2 3,-0.1 -0.891 51.1 26.4-137.8 163.1 -17.2 -8.7 -3.0 98 97 A C S S+ 0 0 43 -2,-0.3 37,-1.1 -22,-0.3 2,-0.3 0.730 90.4 105.5 55.6 33.3 -19.5 -11.7 -2.7 99 98 A I - 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