==== 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 4GDU . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.NOMME,A.LAVIE . 590 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 23.2 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 . 8 1.4 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 . 172 29.2 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 1 1 1 0 4 3 0 0 2 0 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 5 0 0 5 7 6 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 0 205 0, 0.0 163,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 156.4 16.5 -28.0 -12.6 2 1 A M - 0 0 59 161,-2.1 163,-0.1 160,-0.2 257,-0.1 -0.419 360.0-116.1 -75.4 148.6 15.9 -26.1 -9.4 3 2 A N - 0 0 96 -2,-0.1 -1,-0.1 161,-0.1 158,-0.0 -0.794 48.3-121.7 -74.1 121.4 14.8 -27.6 -6.1 4 3 A P - 0 0 23 0, 0.0 273,-0.4 0, 0.0 2,-0.3 -0.252 31.8-170.2 -76.9 160.9 11.4 -25.9 -5.7 5 4 A I E -A 161 0A 0 156,-2.5 156,-2.4 271,-0.1 2,-0.4 -0.998 13.7-172.6-148.8 142.5 10.3 -23.7 -2.8 6 5 A V E -AB 160 275A 0 269,-1.7 269,-3.2 -2,-0.3 2,-0.4 -0.994 5.4-173.1-131.6 141.0 7.2 -22.1 -1.4 7 6 A V E -AB 159 274A 0 152,-2.2 152,-2.1 -2,-0.4 2,-0.3 -0.992 7.4-167.9-125.7 144.5 7.0 -19.6 1.4 8 7 A V E -AB 158 273A 0 265,-3.7 265,-1.6 -2,-0.4 2,-0.3 -0.876 3.6-170.6-124.8 161.1 3.8 -18.3 3.0 9 8 A H E -AB 157 272A 0 148,-2.1 148,-2.4 -2,-0.3 263,-0.3 -0.992 11.2-159.0-144.5 150.4 2.9 -15.5 5.4 10 9 A G - 0 0 0 261,-2.6 2,-0.2 -2,-0.3 145,-0.2 -0.153 61.1 -36.3 -95.8-153.3 -0.1 -14.3 7.3 11 10 A G - 0 0 5 143,-0.4 2,-1.3 -2,-0.1 -1,-0.2 -0.427 41.7-133.7 -79.3 140.8 -0.3 -10.7 8.5 12 11 A G + 0 0 9 258,-0.2 258,-0.2 143,-0.2 196,-0.2 -0.750 66.4 127.1 -83.2 88.8 2.5 -8.6 9.8 13 12 A A B -J 269 0B 18 -2,-1.3 256,-2.5 256,-1.0 255,-0.5 -0.510 56.3 -58.7-136.6-167.3 0.5 -7.4 12.8 14 13 A G S S- 0 0 32 139,-0.2 -1,-0.3 254,-0.2 255,-0.1 0.001 76.5 -41.1 -79.3-173.9 0.3 -7.1 16.5 15 14 A P - 0 0 114 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.071 49.5-152.2 -53.7 138.1 0.6 -9.6 19.4 16 15 A I - 0 0 19 -3,-0.1 5,-0.1 252,-0.0 268,-0.0 -0.963 20.5-120.4-112.8 131.8 -1.1 -13.0 19.0 17 16 A S >> - 0 0 72 -2,-0.5 4,-0.9 1,-0.1 3,-0.7 -0.203 20.8-115.8 -62.1 157.2 -2.3 -14.8 22.2 18 17 A K H >> S+ 0 0 199 1,-0.2 3,-1.0 2,-0.2 4,-0.9 0.950 112.6 63.4 -55.8 -46.2 -0.9 -18.3 23.1 19 18 A D H 34 S+ 0 0 143 1,-0.3 -1,-0.2 2,-0.1 4,-0.1 0.682 111.4 33.2 -53.8 -26.7 -4.5 -19.6 22.7 20 19 A R H <> S+ 0 0 26 -3,-0.7 4,-1.6 2,-0.1 -1,-0.3 0.516 97.4 79.8-112.5 -8.8 -4.8 -18.8 19.0 21 20 A K H S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.833 109.4 46.6 -78.6 -38.9 -4.6 -22.2 15.2 24 23 A V H X S+ 0 0 2 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.885 111.0 56.0 -65.3 -41.2 -2.7 -19.8 13.0 25 24 A H H X S+ 0 0 73 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.894 104.0 51.8 -55.3 -45.2 -0.0 -22.5 12.9 26 25 A Q H X S+ 0 0 132 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.925 112.4 48.2 -59.2 -43.9 -2.6 -25.0 11.6 27 26 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.943 111.3 47.1 -59.1 -54.6 -3.5 -22.5 8.9 28 27 A M H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.920 111.8 51.5 -54.3 -49.8 0.1 -21.7 7.8 29 28 A V H X S+ 0 0 40 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.909 110.0 48.8 -54.8 -50.2 1.0 -25.4 7.7 30 29 A R H X S+ 0 0 121 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.873 112.1 49.4 -58.7 -42.9 -2.0 -26.3 5.5 31 30 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.917 113.3 44.4 -66.1 -44.3 -1.2 -23.4 3.1 32 31 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.950 113.5 50.5 -66.5 -46.9 2.5 -24.4 2.7 33 32 A T H X S+ 0 0 54 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.922 110.3 50.9 -53.5 -48.1 1.7 -28.1 2.3 34 33 A V H X S+ 0 0 59 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.835 113.7 45.2 -58.5 -37.3 -0.9 -27.1 -0.4 35 34 A G H X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.2 -2,-0.2 0.880 114.9 45.7 -73.1 -39.0 1.7 -25.0 -2.2 36 35 A Y H X S+ 0 0 23 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.742 107.0 59.0 -81.7 -24.9 4.5 -27.6 -2.0 37 36 A G H X S+ 0 0 21 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.837 107.1 47.5 -69.5 -36.2 2.2 -30.4 -3.1 38 37 A I H <>S+ 0 0 52 -4,-0.9 5,-2.7 -5,-0.2 -2,-0.2 0.902 113.8 48.2 -69.2 -43.9 1.4 -28.5 -6.3 39 38 A L H ><5S+ 0 0 4 -4,-1.7 3,-1.1 1,-0.2 124,-0.2 0.906 112.1 47.0 -63.8 -44.6 5.2 -27.9 -6.9 40 39 A R H 3<5S+ 0 0 152 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.713 106.8 60.5 -72.8 -17.7 6.2 -31.5 -6.2 41 40 A E T 3<5S- 0 0 168 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.047 129.4 -92.0 -93.6 22.6 3.4 -32.7 -8.5 42 41 A G T < 5S+ 0 0 55 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.669 79.2 148.2 76.6 18.0 4.9 -30.8 -11.5 43 42 A G < - 0 0 13 -5,-2.7 120,-0.3 -6,-0.1 -1,-0.2 -0.621 46.6-108.4 -88.8 148.0 2.9 -27.6 -11.0 44 43 A S > - 0 0 32 -2,-0.3 4,-2.0 118,-0.1 -1,-0.1 0.003 25.7-109.5 -65.1 170.5 4.1 -24.1 -11.8 45 44 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.888 123.4 49.8 -70.4 -40.1 5.1 -21.4 -9.4 46 45 A V H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.909 110.0 51.1 -61.5 -46.2 1.9 -19.5 -10.3 47 46 A D H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.913 111.1 50.6 -53.2 -45.9 -0.1 -22.7 -9.7 48 47 A A H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.785 110.9 43.8 -69.8 -34.5 1.6 -23.0 -6.3 49 48 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.839 112.5 51.9 -82.6 -35.5 1.0 -19.6 -4.9 50 49 A E H X S+ 0 0 37 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.943 111.5 49.4 -61.0 -47.2 -2.6 -19.4 -6.0 51 50 A G H X S+ 0 0 13 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.836 112.9 46.2 -60.6 -36.6 -3.2 -22.8 -4.3 52 51 A A H X S+ 0 0 0 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.924 115.9 43.7 -73.8 -44.4 -1.6 -21.6 -1.1 53 52 A V H >X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 3,-0.8 0.939 107.9 58.9 -66.7 -47.5 -3.4 -18.3 -0.9 54 53 A V H 3X S+ 0 0 25 -4,-3.0 4,-2.4 1,-0.3 -1,-0.2 0.888 105.1 53.7 -43.1 -44.8 -6.8 -19.9 -1.9 55 54 A A H 3X S+ 0 0 12 -4,-1.2 4,-1.0 -5,-0.2 -1,-0.3 0.838 109.2 44.8 -60.3 -40.1 -6.3 -22.0 1.2 56 55 A L H << S+ 0 0 1 -4,-1.1 6,-0.5 -3,-0.8 8,-0.3 0.851 111.8 53.4 -78.4 -31.4 -5.8 -19.0 3.5 57 56 A E H < S+ 0 0 0 -4,-2.8 9,-2.5 1,-0.2 -2,-0.2 0.902 109.8 49.1 -59.9 -44.3 -8.8 -17.3 1.9 58 57 A D H < S+ 0 0 79 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.719 95.0 83.9 -68.5 -26.9 -10.8 -20.4 2.7 59 58 A D S >< S- 0 0 18 -4,-1.0 3,-1.8 -5,-0.1 5,-0.3 -0.753 73.2-150.3 -83.5 111.3 -9.6 -20.4 6.3 60 59 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 0.461 88.4 73.4 -59.5 0.2 -11.9 -18.0 8.3 61 60 A E T 3 S+ 0 0 51 -5,-0.1 2,-0.3 -38,-0.1 6,-0.1 0.733 87.0 67.3 -86.2 -24.0 -8.9 -17.3 10.6 62 61 A F S < S- 0 0 10 -3,-1.8 2,-2.5 -6,-0.5 93,-0.1 -0.761 90.2-110.0-108.7 146.2 -6.9 -15.1 8.2 63 62 A N S S+ 0 0 6 91,-0.6 111,-1.4 -2,-0.3 112,-0.5 -0.392 90.6 76.4 -77.0 65.0 -7.7 -11.7 6.8 64 63 A A S S- 0 0 0 -2,-2.5 -2,-0.2 2,-0.5 110,-0.1 -0.906 100.5 -14.5-161.3 154.9 -8.4 -12.8 3.2 65 64 A G S > S+ 0 0 0 -2,-0.3 3,-1.3 108,-0.2 2,-0.3 -0.230 131.0 23.0 48.5-125.5 -11.5 -14.5 1.6 66 65 A C T 3 S+ 0 0 33 -9,-2.5 -2,-0.5 1,-0.2 -4,-0.3 -0.520 131.1 30.0 -66.4 128.5 -13.5 -15.9 4.5 67 66 A G T 3 S+ 0 0 4 73,-2.0 -1,-0.2 -2,-0.3 74,-0.1 0.625 80.9 159.4 92.3 15.7 -12.7 -13.9 7.6 68 67 A S < - 0 0 0 -3,-1.3 74,-0.4 72,-0.4 -1,-0.2 -0.283 46.6-103.9 -58.2 153.1 -11.9 -10.6 5.9 69 68 A V - 0 0 6 8,-0.1 8,-0.5 -6,-0.1 2,-0.4 -0.453 38.1-108.7 -76.9 159.1 -12.1 -7.5 8.2 70 69 A L B -K 76 0C 3 75,-0.4 108,-3.1 6,-0.1 109,-0.3 -0.748 23.0-133.0 -96.5 136.9 -15.1 -5.3 7.8 71 70 A N > - 0 0 0 4,-3.0 3,-1.6 -2,-0.4 4,-0.2 0.023 51.2 -74.6 -65.2-173.9 -14.9 -1.8 6.3 72 71 A T T 3 S+ 0 0 64 107,-3.3 108,-0.1 1,-0.3 -1,-0.1 0.768 133.2 55.4 -58.4 -24.7 -16.6 1.1 8.1 73 72 A N T 3 S- 0 0 98 106,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.107 120.1-101.2 -97.6 21.8 -20.0 -0.2 6.9 74 73 A G S < S+ 0 0 34 -3,-1.6 2,-0.3 1,-0.2 -2,-0.1 0.955 84.4 130.1 53.8 49.0 -19.8 -3.8 8.3 75 74 A E - 0 0 78 -4,-0.2 -4,-3.0 2,-0.0 2,-0.5 -0.927 57.9-124.7-132.8 157.0 -18.9 -5.0 4.8 76 75 A V B +K 70 0C 10 -2,-0.3 2,-0.4 -6,-0.2 22,-0.3 -0.898 28.8 170.2-106.3 127.4 -16.2 -7.2 3.2 77 76 A E - 0 0 6 -8,-0.5 2,-0.4 -2,-0.5 20,-0.2 -0.996 15.5-156.0-139.1 134.0 -14.1 -5.9 0.4 78 77 A M E -C 96 0A 0 18,-1.6 18,-2.0 -2,-0.4 2,-0.4 -0.873 11.2-162.0-126.0 139.7 -11.1 -7.7 -0.9 79 78 A D E + D 0 173A 0 94,-1.9 94,-2.7 -2,-0.4 2,-0.3 -0.923 19.5 167.7-111.8 144.8 -7.8 -6.9 -2.7 80 79 A A E +CD 93 172A 0 13,-2.9 13,-2.8 -2,-0.4 2,-0.3 -0.988 11.2 176.0-154.9 148.8 -5.7 -9.5 -4.6 81 80 A S E -CD 92 171A 0 90,-2.2 90,-2.2 -2,-0.3 2,-0.3 -0.981 3.7-174.5-150.9 146.2 -2.8 -9.7 -7.0 82 81 A I E -CD 91 170A 0 9,-2.8 9,-2.5 -2,-0.3 2,-0.3 -0.985 8.7-167.6-138.3 144.8 -0.7 -12.5 -8.6 83 82 A M E -CD 90 169A 0 86,-2.1 86,-1.2 -2,-0.3 2,-0.6 -0.998 16.5-147.8-141.6 140.5 2.4 -12.3 -10.9 84 83 A D E >> -CD 89 168A 30 5,-2.9 4,-1.0 -2,-0.3 5,-0.6 -0.931 10.6-155.4-107.6 118.7 4.4 -14.6 -13.1 85 84 A G T 45S+ 0 0 0 82,-3.2 113,-2.4 -2,-0.6 114,-0.4 0.537 81.6 71.8 -74.3 -7.9 8.1 -13.7 -13.2 86 85 A K T 45S+ 0 0 138 81,-0.2 -1,-0.2 111,-0.2 113,-0.1 0.995 125.7 2.9 -68.6 -62.3 8.9 -15.3 -16.6 87 86 A D T 45S- 0 0 74 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.320 100.0-117.0-101.0 4.0 7.0 -12.7 -18.7 88 87 A L T <5 + 0 0 0 -4,-1.0 -3,-0.2 1,-0.2 2,-0.1 0.734 55.5 166.9 59.5 23.5 6.1 -10.5 -15.8 89 88 A S E < -C 84 0A 23 -5,-0.6 -5,-2.9 -6,-0.1 2,-0.3 -0.395 12.4-173.6 -65.4 148.4 2.4 -11.2 -16.6 90 89 A A E -C 83 0A 3 -7,-0.2 2,-0.3 20,-0.1 -7,-0.2 -0.977 24.2-163.8-147.6 155.2 0.0 -10.1 -13.8 91 90 A G E +C 82 0A 0 -9,-2.5 -9,-2.8 -2,-0.3 2,-0.3 -0.991 17.7 169.8-138.3 144.4 -3.6 -10.2 -12.5 92 91 A A E -Ce 81 117A 2 24,-0.7 26,-2.6 -2,-0.3 2,-0.3 -0.979 13.4-170.1-158.3 139.4 -5.1 -8.0 -9.8 93 92 A V E -Ce 80 118A 0 -13,-2.8 -13,-2.9 -2,-0.3 2,-0.3 -0.959 6.2-166.3-128.5 149.2 -8.5 -7.2 -8.3 94 93 A S E + e 0 119A 0 24,-1.3 26,-2.7 -2,-0.3 -15,-0.2 -0.994 69.2 3.6-135.2 144.8 -9.6 -4.5 -5.8 95 94 A A E S+ 0 0 0 -2,-0.3 -16,-0.2 88,-0.2 2,-0.1 0.810 80.0 169.3 51.7 35.9 -12.8 -4.0 -3.8 96 95 A V E -C 78 0A 2 -18,-2.0 -18,-1.6 22,-0.1 2,-0.3 -0.489 14.7-158.5 -72.6 149.9 -14.2 -7.3 -5.1 97 96 A Q + 0 0 56 23,-0.2 -20,-0.1 -20,-0.2 3,-0.1 -0.939 51.2 9.7-137.4 152.8 -17.4 -8.5 -3.3 98 97 A C S S+ 0 0 41 -2,-0.3 37,-1.5 -22,-0.3 2,-0.3 0.831 90.8 111.5 47.7 45.0 -19.6 -11.6 -2.6 99 98 A I - 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