==== 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 4GDV . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.NOMME,A.LAVIE . 595 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 71.6 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 . 136 22.9 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 . 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 . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.8 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 1 0 0 2 0 0 5 3 0 0 2 0 2 0 0 0 0 0 1 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 . 4 0 0 4 8 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 0 211 0, 0.0 167,-0.2 0, 0.0 166,-0.1 0.000 360.0 360.0 360.0 137.0 16.5 -28.0 -12.4 2 1 A M - 0 0 69 165,-0.6 167,-0.1 164,-0.2 261,-0.1 -0.118 360.0-110.5 -62.8 150.3 15.9 -26.1 -9.1 3 2 A N - 0 0 85 1,-0.1 -1,-0.1 166,-0.0 2,-0.0 -0.678 44.6-117.1 -70.1 126.6 14.5 -27.5 -5.9 4 3 A P - 0 0 23 0, 0.0 277,-0.5 0, 0.0 2,-0.3 -0.368 35.1-173.9 -66.5 147.2 11.0 -26.1 -5.5 5 4 A I E -A 165 0A 0 160,-2.1 160,-2.4 275,-0.1 2,-0.4 -0.997 10.2-172.1-138.1 144.8 10.3 -23.8 -2.6 6 5 A V E -AB 164 279A 0 273,-1.6 273,-2.7 -2,-0.3 2,-0.4 -0.996 1.0-172.5-130.2 142.0 7.1 -22.1 -1.3 7 6 A V E -AB 163 278A 0 156,-2.6 156,-2.3 -2,-0.4 2,-0.3 -0.965 7.9-174.8-126.4 143.6 6.8 -19.5 1.5 8 7 A V E -AB 162 277A 0 269,-2.6 269,-2.2 -2,-0.4 2,-0.3 -0.962 2.3-166.1-136.2 153.5 3.5 -18.4 2.8 9 8 A H E -AB 161 276A 0 152,-2.4 152,-1.7 -2,-0.3 267,-0.3 -0.977 11.6-157.1-139.2 148.0 2.5 -15.7 5.4 10 9 A G - 0 0 0 265,-2.4 2,-0.3 -2,-0.3 149,-0.1 0.059 60.3 -35.2 -88.5-134.4 -0.4 -14.6 7.4 11 10 A G - 0 0 2 -2,-0.1 2,-1.5 1,-0.1 147,-0.3 -0.624 43.3-129.0-108.3 135.9 -0.7 -11.2 8.6 12 11 A G + 0 0 5 -2,-0.3 262,-0.2 262,-0.2 2,-0.1 -0.599 63.5 134.6 -83.3 84.9 2.0 -8.7 9.8 13 12 A A B -J 273 0B 12 -2,-1.5 260,-2.9 260,-0.9 259,-0.7 -0.270 53.8 -80.4-123.4-169.9 0.3 -7.8 13.1 14 13 A G S S- 0 0 28 142,-0.7 -1,-0.2 1,-0.2 257,-0.0 -0.067 76.7 -33.4 -86.3-167.2 0.6 -7.2 16.8 15 14 A P - 0 0 113 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.090 58.3-149.0 -52.5 146.8 0.7 -9.8 19.6 16 15 A I - 0 0 26 -3,-0.1 272,-0.0 256,-0.1 2,-0.0 -0.976 15.8-117.6-122.9 135.1 -1.3 -13.0 19.2 17 16 A S > - 0 0 51 -2,-0.4 4,-2.3 1,-0.1 0, 0.0 -0.312 28.8-110.1 -66.6 152.3 -3.0 -15.0 22.0 18 17 A K H > S+ 0 0 179 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.856 117.3 52.1 -46.9 -45.0 -1.9 -18.6 22.7 19 18 A D H >> S+ 0 0 95 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.967 110.3 43.9 -61.6 -59.4 -5.3 -19.9 21.4 20 19 A R H 3> S+ 0 0 19 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.844 106.0 67.6 -52.5 -36.8 -5.3 -18.0 18.0 21 20 A K H 3X S+ 0 0 55 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.872 101.6 43.5 -55.3 -44.0 -1.6 -19.1 17.6 22 21 A E H <>S+ 0 0 41 -4,-1.8 5,-2.2 1,-0.2 3,-1.4 0.958 113.3 44.9 -61.8 -52.5 1.5 -28.6 -6.2 39 38 A L H ><5S+ 0 0 2 -4,-1.9 3,-1.8 1,-0.3 128,-0.2 0.867 106.2 60.7 -62.7 -38.4 5.3 -28.0 -6.8 40 39 A R T 3<5S+ 0 0 152 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.545 103.6 51.3 -67.1 -10.8 6.2 -31.6 -5.9 41 40 A E T < 5S- 0 0 176 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.376 129.5 -94.9-102.8 -0.1 4.0 -32.9 -8.8 42 41 A G T < 5S+ 0 0 37 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.576 73.5 155.5 92.7 14.5 5.7 -30.5 -11.3 43 42 A G < - 0 0 19 -5,-2.2 124,-0.4 -6,-0.2 -1,-0.2 -0.213 45.3 -93.8 -68.4 165.2 3.1 -27.7 -11.0 44 43 A S > - 0 0 40 1,-0.1 4,-2.4 122,-0.1 5,-0.2 -0.373 23.0-118.3 -81.9 155.8 3.9 -24.1 -11.8 45 44 A A H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.859 118.5 53.4 -56.6 -38.4 4.9 -21.4 -9.3 46 45 A V H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 109.2 47.6 -62.9 -45.7 1.7 -19.6 -10.3 47 46 A D H > S+ 0 0 60 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.901 113.0 48.8 -62.5 -41.5 -0.4 -22.7 -9.5 48 47 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.922 112.1 46.6 -67.4 -46.6 1.3 -23.2 -6.1 49 48 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.880 114.1 48.3 -66.9 -37.4 1.0 -19.6 -5.0 50 49 A E H X S+ 0 0 33 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.941 111.1 52.1 -61.4 -47.0 -2.7 -19.6 -6.0 51 50 A G H X S+ 0 0 11 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.913 110.6 47.1 -55.8 -47.6 -3.2 -22.9 -4.2 52 51 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.910 113.0 47.3 -62.9 -45.0 -1.7 -21.7 -0.9 53 52 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.832 108.3 55.8 -69.4 -33.3 -3.7 -18.4 -0.9 54 53 A V H X S+ 0 0 27 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.909 105.0 53.8 -61.3 -43.9 -7.0 -20.3 -1.7 55 54 A A H X S+ 0 0 26 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.859 114.0 41.2 -59.1 -36.4 -6.4 -22.4 1.4 56 55 A L H < S+ 0 0 0 -4,-1.3 6,-0.3 2,-0.2 -2,-0.2 0.814 111.7 54.8 -82.5 -34.1 -6.0 -19.3 3.5 57 56 A E H < S+ 0 0 0 -4,-2.6 9,-0.8 1,-0.2 7,-0.2 0.958 111.0 46.4 -60.6 -48.5 -8.9 -17.5 1.8 58 57 A D H < S+ 0 0 86 -4,-3.0 -2,-0.2 7,-0.2 -1,-0.2 0.785 96.3 85.8 -64.4 -32.0 -11.1 -20.5 2.7 59 58 A D S >< S- 0 0 18 -4,-1.0 3,-1.4 -5,-0.2 5,-0.2 -0.638 71.8-147.8 -75.5 120.6 -9.8 -20.6 6.3 60 59 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.631 89.5 76.0 -61.6 -16.1 -11.9 -18.2 8.6 61 60 A E T 3 S+ 0 0 29 -38,-0.1 2,-0.4 2,-0.1 6,-0.1 0.485 88.9 71.3 -77.2 -0.2 -8.8 -17.6 10.8 62 61 A F S < S- 0 0 2 -3,-1.4 2,-2.0 4,-0.4 97,-0.2 -0.930 86.0-116.9-128.8 142.3 -7.3 -15.3 8.2 63 62 A N S S+ 0 0 5 95,-1.1 115,-1.0 -2,-0.4 97,-0.4 -0.503 86.8 75.2 -76.7 72.5 -8.1 -11.8 6.9 64 63 A A S S- 0 0 0 -2,-2.0 -2,-0.2 113,-0.3 114,-0.1 -0.843 99.3 -13.2-174.4 148.2 -8.9 -12.8 3.3 65 64 A G S > S+ 0 0 0 -2,-0.2 3,-1.8 112,-0.2 2,-0.4 -0.295 132.7 16.6 50.6-133.2 -12.0 -14.4 1.7 66 65 A C T 3 S+ 0 0 36 -9,-0.8 -4,-0.4 34,-0.4 -2,-0.2 -0.543 135.6 33.4 -66.0 120.9 -14.1 -15.9 4.5 67 66 A G T 3 S+ 0 0 3 73,-2.4 -1,-0.3 -2,-0.4 -2,-0.1 0.483 83.7 150.7 103.2 4.4 -12.8 -14.2 7.6 68 67 A S < - 0 0 0 -3,-1.8 -1,-0.3 72,-0.4 74,-0.3 -0.427 52.0-105.4 -63.1 143.8 -12.0 -10.9 5.9 69 68 A V - 0 0 2 110,-0.2 8,-0.4 -2,-0.1 2,-0.3 -0.151 38.4-106.6 -65.2 166.2 -12.2 -7.8 8.2 70 69 A L - 0 0 4 75,-0.3 112,-2.4 6,-0.1 113,-0.4 -0.765 22.7-131.1-102.7 146.0 -15.2 -5.5 7.8 71 70 A N > - 0 0 2 4,-3.2 3,-1.7 -2,-0.3 113,-0.2 -0.090 47.7 -78.6 -75.9-174.3 -15.3 -2.1 6.3 72 71 A T T 3 S+ 0 0 42 111,-2.7 112,-0.1 1,-0.3 -1,-0.1 0.813 132.0 50.4 -58.2 -31.4 -16.9 0.9 8.0 73 72 A N T 3 S- 0 0 109 110,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.076 122.4 -99.8 -98.6 21.3 -20.4 -0.3 6.9 74 73 A G S < S+ 0 0 32 -3,-1.7 2,-0.3 1,-0.2 -2,-0.1 0.790 83.0 127.1 67.4 30.5 -20.0 -3.9 8.1 75 74 A E - 0 0 98 66,-0.0 -4,-3.2 2,-0.0 2,-0.5 -0.884 60.5-121.9-120.0 149.7 -19.2 -5.3 4.7 76 75 A V + 0 0 8 -2,-0.3 2,-0.4 -6,-0.2 22,-0.3 -0.811 30.4 175.0 -87.6 124.2 -16.4 -7.5 3.4 77 76 A E - 0 0 7 -2,-0.5 2,-0.3 -8,-0.4 20,-0.2 -1.000 14.3-162.6-127.9 128.6 -14.4 -5.9 0.5 78 77 A M E -C 96 0A 0 18,-2.5 18,-2.5 -2,-0.4 2,-0.3 -0.849 14.1-165.7-122.2 149.9 -11.4 -7.8 -0.8 79 78 A D E + D 0 177A 0 98,-2.2 98,-2.8 -2,-0.3 2,-0.3 -0.960 14.7 167.6-124.9 150.7 -8.3 -7.2 -2.8 80 79 A A E -CD 93 176A 0 13,-2.4 13,-2.7 -2,-0.3 2,-0.3 -0.980 10.6-171.6-156.7 150.9 -5.9 -9.7 -4.4 81 80 A S E -CD 92 175A 0 94,-2.7 94,-2.4 -2,-0.3 2,-0.3 -0.992 1.5-172.7-143.2 153.4 -3.1 -9.9 -6.9 82 81 A I E -CD 91 174A 0 9,-2.7 9,-2.3 -2,-0.3 2,-0.3 -0.982 6.0-172.9-139.7 146.6 -1.0 -12.6 -8.6 83 82 A M E -CD 90 173A 0 90,-2.1 90,-1.6 -2,-0.3 2,-0.5 -0.993 17.7-144.8-148.1 139.4 2.1 -12.3 -10.8 84 83 A D E >> -CD 89 172A 27 5,-3.1 4,-1.3 -2,-0.3 5,-0.7 -0.919 11.2-152.0-105.5 117.1 4.2 -14.8 -13.0 85 84 A G T 45S+ 0 0 0 86,-3.0 117,-2.5 -2,-0.5 118,-0.3 0.641 84.4 70.9 -67.1 -17.7 7.9 -13.9 -13.0 86 85 A K T 45S+ 0 0 116 85,-0.3 -1,-0.2 115,-0.2 117,-0.1 0.986 124.4 1.5 -63.0 -60.2 8.6 -15.4 -16.4 87 86 A D T 45S- 0 0 59 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.293 100.7-109.6-110.1 5.9 6.8 -12.8 -18.6 88 87 A L T <5 + 0 0 0 -4,-1.3 -3,-0.2 1,-0.2 113,-0.0 0.701 57.3 172.3 59.6 26.9 5.7 -10.5 -15.8 89 88 A S E < +C 84 0A 33 -5,-0.7 -5,-3.1 -6,-0.1 2,-0.3 -0.365 8.0 176.0 -60.5 142.5 2.1 -11.6 -16.4 90 89 A A E -C 83 0A 4 -7,-0.2 2,-0.3 20,-0.2 -7,-0.2 -0.999 24.5-174.3-155.8 148.2 -0.2 -10.3 -13.7 91 90 A G E +C 82 0A 0 -9,-2.3 -9,-2.7 -2,-0.3 2,-0.3 -0.984 12.0 171.3-143.0 154.9 -3.8 -10.0 -12.5 92 91 A A E -Ce 81 117A 3 24,-0.8 26,-2.3 -2,-0.3 2,-0.3 -0.988 13.1-164.1-160.8 148.0 -5.4 -8.1 -9.6 93 92 A V E -Ce 80 118A 0 -13,-2.7 -13,-2.4 -2,-0.3 2,-0.3 -0.986 8.6-164.7-137.4 148.3 -8.8 -7.2 -8.3 94 93 A S E + e 0 119A 0 24,-1.3 26,-2.2 -2,-0.3 -15,-0.2 -0.978 65.3 9.0-133.6 152.4 -9.8 -4.6 -5.7 95 94 A A E S+ 0 0 1 -2,-0.3 2,-0.4 92,-0.2 -16,-0.2 0.903 80.2 165.9 45.4 54.3 -12.9 -3.9 -3.6 96 95 A V E -C 78 0A 5 -18,-2.5 -18,-2.5 -3,-0.1 2,-0.3 -0.786 12.0-175.1-100.1 141.5 -14.5 -7.2 -4.6 97 96 A Q + 0 0 60 -2,-0.4 -20,-0.1 -20,-0.2 3,-0.1 -0.877 52.7 28.1-131.9 160.1 -17.5 -8.6 -2.7 98 97 A C S S+ 0 0 35 -2,-0.3 37,-2.1 -22,-0.3 2,-0.3 0.764 88.7 108.3 62.1 29.6 -19.7 -11.7 -2.6 99 98 A I - 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