==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-JUN-07 2QEY . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE, CYTOSOLIC [GTP . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.M.SULLIVAN,T.HOLYOAK . 609 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25329.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 394 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 41 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 1 1 1 0 2 3 1 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 3 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 . 3 5 4 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 1 0 0 0 1 1 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 3 A P 0 0 172 0, 0.0 2,-0.3 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 177.9 2.4 -14.0 -32.7 2 4 A Q - 0 0 66 5,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.915 360.0-145.4-168.5 144.6 5.4 -16.3 -32.5 3 5 A L S S+ 0 0 173 -2,-0.3 2,-0.1 0, 0.0 -1,-0.1 0.577 97.9 5.3 -85.1 -12.9 8.0 -18.1 -34.7 4 6 A H S S- 0 0 158 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.171 96.4 -85.2-134.6-130.5 8.0 -21.1 -32.2 5 7 A N S S+ 0 0 141 -2,-0.1 -3,-0.0 2,-0.1 0, 0.0 -0.116 88.3 99.6-147.8 43.1 5.9 -21.8 -29.0 6 8 A G S S+ 0 0 44 1,-0.0 -4,-0.0 3,-0.0 3,-0.0 0.490 80.7 49.1-108.2 -7.0 7.7 -20.1 -26.1 7 9 A L S S+ 0 0 100 1,-0.1 2,-0.7 26,-0.0 27,-0.1 0.749 89.2 79.6-105.6 -33.2 5.5 -16.9 -25.8 8 10 A D - 0 0 75 1,-0.1 3,-0.4 26,-0.0 -1,-0.1 -0.726 53.1-177.3 -81.8 113.5 1.9 -18.3 -25.7 9 11 A F > + 0 0 22 -2,-0.7 3,-1.5 1,-0.2 4,-0.3 0.174 48.9 112.3 -97.8 16.1 1.3 -19.6 -22.2 10 12 A S G > S+ 0 0 45 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.817 70.4 60.8 -57.4 -35.7 -2.2 -20.9 -22.9 11 13 A A G 3 S+ 0 0 103 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.640 103.0 51.5 -69.5 -16.6 -1.1 -24.6 -22.5 12 14 A K G < S+ 0 0 94 -3,-1.5 29,-2.6 28,-0.1 2,-0.5 0.377 78.8 113.9-103.2 2.1 -0.1 -23.9 -18.9 13 15 A V E < +a 41 0A 31 -3,-1.1 29,-0.2 -4,-0.3 3,-0.1 -0.650 35.8 176.3 -78.8 120.5 -3.3 -22.3 -17.7 14 16 A I E S+ 0 0 89 27,-2.7 2,-0.3 -2,-0.5 28,-0.2 0.545 70.5 27.4-104.8 -12.4 -5.0 -24.6 -15.1 15 17 A Q E S-a 42 0A 51 26,-1.0 28,-2.0 29,-0.0 -1,-0.3 -0.944 115.0 -7.6-147.8 133.5 -7.9 -22.3 -14.3 16 18 A G S S- 0 0 58 -2,-0.3 2,-0.3 26,-0.1 3,-0.1 -0.460 80.9 -80.1 85.6-157.7 -9.6 -19.7 -16.4 17 19 A S > - 0 0 43 -2,-0.1 4,-0.8 1,-0.1 3,-0.4 -0.976 7.3-148.9-154.6 130.2 -8.4 -18.4 -19.8 18 20 A L T 4 S+ 0 0 3 -2,-0.3 3,-0.3 1,-0.2 8,-0.1 0.808 103.9 60.5 -65.3 -31.1 -5.8 -15.9 -21.1 19 21 A D T 4 S+ 0 0 122 1,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.771 102.2 50.5 -66.6 -30.1 -8.2 -15.2 -24.0 20 22 A S T 4 S+ 0 0 91 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.692 92.9 96.5 -84.2 -20.2 -11.0 -14.0 -21.7 21 23 A L S < S- 0 0 12 -4,-0.8 2,-0.0 -3,-0.3 159,-0.0 -0.329 89.4 -95.6 -65.6 147.4 -8.6 -11.6 -19.9 22 24 A P >> - 0 0 19 0, 0.0 4,-2.7 0, 0.0 3,-0.6 -0.382 41.2-109.6 -58.5 146.2 -8.4 -7.9 -20.8 23 25 A Q H 3> S+ 0 0 129 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.871 117.4 44.9 -48.7 -52.8 -5.6 -7.3 -23.2 24 26 A E H 3> S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.788 112.6 52.5 -66.6 -29.5 -3.4 -5.3 -20.8 25 27 A V H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.929 108.9 49.9 -68.8 -45.8 -4.0 -7.9 -18.1 26 28 A R H X S+ 0 0 46 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.899 110.0 50.5 -57.6 -43.9 -3.0 -10.8 -20.4 27 29 A K H X S+ 0 0 109 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.872 111.2 49.0 -62.9 -39.3 0.2 -8.9 -21.3 28 30 A F H X S+ 0 0 18 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.929 116.8 41.7 -64.2 -46.9 1.0 -8.4 -17.6 29 31 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.953 119.5 41.6 -66.8 -53.1 0.4 -12.1 -16.9 30 32 A E H X S+ 0 0 33 -4,-3.2 4,-2.5 2,-0.2 -3,-0.2 0.861 112.2 55.1 -66.2 -39.0 2.2 -13.6 -20.0 31 33 A G H X S+ 0 0 42 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.2 0.889 113.9 40.6 -61.0 -42.3 5.1 -11.2 -19.8 32 34 A N H X S+ 0 0 23 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.729 110.9 57.6 -80.1 -24.2 5.8 -12.2 -16.2 33 35 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.905 106.9 49.7 -65.0 -44.4 5.1 -15.9 -17.0 34 36 A Q H < S+ 0 0 93 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.888 118.1 40.3 -58.5 -41.8 7.9 -15.6 -19.6 35 37 A L H < S+ 0 0 45 -4,-1.3 95,-2.9 -5,-0.2 -2,-0.2 0.949 122.8 35.3 -74.0 -52.1 10.2 -14.0 -17.1 36 38 A C H < S- 0 0 0 -4,-3.0 96,-2.3 93,-0.2 97,-0.3 0.654 92.5-143.3 -83.0 -18.2 9.5 -16.1 -13.9 37 39 A Q < - 0 0 82 -4,-2.0 97,-0.5 -5,-0.3 98,-0.2 0.914 23.7-172.1 57.0 53.3 8.9 -19.4 -15.7 38 40 A P - 0 0 4 0, 0.0 95,-0.2 0, 0.0 98,-0.2 -0.402 27.8-133.1 -70.3 155.9 6.1 -20.8 -13.6 39 41 A E S S+ 0 0 91 96,-2.3 2,-0.3 93,-0.7 97,-0.2 0.908 86.9 13.6 -69.1 -43.9 4.9 -24.4 -14.2 40 42 A Y E - b 0 136A 96 95,-1.2 97,-3.3 2,-0.0 2,-0.5 -0.901 63.2-140.1-132.7 157.3 1.2 -23.4 -14.2 41 43 A I E -ab 13 137A 0 -29,-2.6 -27,-2.7 -2,-0.3 -26,-1.0 -0.985 16.9-171.3-118.5 120.2 -1.0 -20.3 -14.4 42 44 A H E -ab 15 138A 25 95,-2.6 97,-3.1 -2,-0.5 2,-0.8 -0.938 9.7-156.7-110.9 109.6 -4.0 -20.3 -12.1 43 45 A I E - b 0 139A 9 -28,-2.0 97,-0.1 -2,-0.6 95,-0.1 -0.792 25.9-129.8 -85.5 110.9 -6.4 -17.4 -12.8 44 46 A C - 0 0 1 95,-2.2 131,-0.1 -2,-0.8 -29,-0.0 -0.320 24.0-171.9 -66.0 140.2 -8.3 -17.0 -9.5 45 47 A D - 0 0 52 130,-0.2 131,-1.6 2,-0.1 132,-0.3 0.502 36.1-128.1-105.6 -10.3 -12.1 -16.8 -9.5 46 48 A G + 0 0 12 129,-0.3 128,-0.1 1,-0.2 -2,-0.1 0.548 56.0 149.9 75.6 9.6 -12.5 -15.9 -5.8 47 49 A S > - 0 0 25 1,-0.1 4,-1.9 4,-0.0 -1,-0.2 -0.258 59.5-119.8 -75.6 160.2 -15.0 -18.8 -5.3 48 50 A E H > S+ 0 0 153 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.875 114.6 54.7 -62.7 -40.3 -15.5 -20.7 -2.0 49 51 A E H > S+ 0 0 130 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.935 108.5 46.6 -59.6 -50.5 -14.6 -23.9 -3.8 50 52 A E H > S+ 0 0 15 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 115.7 48.0 -58.1 -41.7 -11.2 -22.5 -5.0 51 53 A Y H X S+ 0 0 18 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.952 113.1 44.9 -64.8 -54.9 -10.6 -21.2 -1.5 52 54 A G H X S+ 0 0 36 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.885 114.0 49.7 -57.9 -44.3 -11.5 -24.4 0.4 53 55 A R H X S+ 0 0 198 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.860 110.2 50.0 -65.2 -39.4 -9.5 -26.6 -1.9 54 56 A L H X S+ 0 0 20 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.874 110.1 50.6 -69.2 -38.1 -6.4 -24.4 -1.8 55 57 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.912 110.5 49.9 -62.4 -43.8 -6.5 -24.4 2.1 56 58 A A H X S+ 0 0 47 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.849 109.4 52.2 -63.0 -36.2 -6.8 -28.2 2.0 57 59 A H H X S+ 0 0 79 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.885 109.8 47.5 -67.0 -41.9 -3.8 -28.4 -0.3 58 60 A M H <>S+ 0 0 3 -4,-2.1 5,-2.5 2,-0.2 6,-1.1 0.859 111.0 53.5 -65.2 -37.2 -1.7 -26.2 2.0 59 61 A Q H ><5S+ 0 0 83 -4,-2.1 3,-0.9 4,-0.2 -2,-0.2 0.911 108.5 47.7 -62.7 -46.3 -2.8 -28.4 4.9 60 62 A E H 3<5S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 111.8 50.7 -65.4 -34.3 -1.7 -31.7 3.2 61 63 A E T 3<5S- 0 0 116 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.509 115.1-117.4 -80.9 -5.3 1.7 -30.1 2.3 62 64 A G T < 5S+ 0 0 38 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.612 82.0 122.3 77.6 14.3 2.1 -29.0 6.0 63 65 A V S -J 73 0B 0 6,-2.8 3,-1.3 -2,-0.4 6,-0.5 -0.790 18.2-168.8 -91.5 98.6 -7.5 -25.3 14.1 68 70 A K T 3 S+ 0 0 161 -2,-1.0 296,-0.2 1,-0.3 -1,-0.1 0.626 76.2 67.4 -68.8 -17.5 -10.1 -27.9 15.1 69 71 A K T 3 S+ 0 0 110 295,-1.5 -1,-0.3 -3,-0.1 2,-0.2 0.804 103.2 48.6 -69.8 -30.2 -11.6 -25.9 18.0 70 72 A Y S < S- 0 0 46 -3,-1.3 2,-0.8 294,-0.5 3,-0.4 -0.480 96.3 -88.1-111.5 175.7 -13.0 -23.3 15.7 71 73 A D B S-n 351 0C 99 279,-1.7 281,-2.4 1,-0.2 282,-0.3 -0.773 99.1 -30.1 -89.7 107.6 -15.1 -23.1 12.5 72 74 A N S S+ 0 0 39 -2,-0.8 2,-0.3 279,-0.2 -1,-0.2 0.912 94.0 153.0 51.2 52.4 -12.8 -23.2 9.4 73 75 A C E -J 67 0B 0 -6,-0.5 -6,-2.8 -3,-0.4 2,-0.3 -0.878 23.7-162.6-114.1 149.0 -9.8 -21.5 11.1 74 76 A W E -Jk 66 354B 9 279,-2.3 281,-3.3 -2,-0.3 2,-0.4 -0.893 9.7-149.2-134.8 155.2 -6.2 -22.0 10.1 75 77 A L E -Jk 65 355B 3 -10,-2.8 -10,-2.8 -2,-0.3 2,-0.4 -0.992 7.4-171.9-131.3 129.3 -2.7 -21.5 11.4 76 78 A A E - 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0 0 5 21,-0.6 23,-0.3 -2,-0.5 6,-0.1 -0.970 54.4-112.0-143.2 159.5 11.6 7.6 -8.9 95 97 A Q S S+ 0 0 145 -2,-0.3 2,-0.4 1,-0.1 22,-0.1 0.932 108.0 34.5 -52.1 -52.1 13.7 9.5 -11.4 96 98 A E S > S- 0 0 108 1,-0.1 3,-1.2 -3,-0.1 4,-0.5 -0.915 73.4-142.5-113.4 133.6 14.6 12.1 -8.8 97 99 A Q G >> S+ 0 0 83 -2,-0.4 4,-2.5 1,-0.2 3,-1.7 0.851 98.1 67.3 -58.3 -38.3 15.2 11.2 -5.1 98 100 A R G 34 S+ 0 0 125 1,-0.3 -1,-0.2 2,-0.2 380,-0.1 0.734 93.3 59.2 -57.3 -26.7 13.5 14.5 -4.0 99 101 A D G <4 S+ 0 0 80 -3,-1.2 379,-2.2 1,-0.1 -1,-0.3 0.725 113.7 37.2 -75.3 -21.1 10.1 13.3 -5.3 100 102 A T T <4 S+ 0 0 2 -3,-1.7 -2,-0.2 -4,-0.5 379,-0.1 0.835 132.0 7.3 -97.0 -44.4 10.3 10.3 -2.9 101 103 A V S < S- 0 0 2 -4,-2.5 -1,-0.4 377,-0.2 377,-0.2 -0.988 79.0-106.9-136.4 147.0 11.9 11.8 0.2 102 104 A P - 0 0 0 0, 0.0 9,-0.2 0, 0.0 488,-0.1 -0.477 42.6-110.1 -64.9 146.3 12.8 15.3 1.2 103 105 A I - 0 0 56 486,-0.2 488,-0.5 -2,-0.1 489,-0.1 -0.738 40.6-126.5 -80.7 115.3 16.6 15.8 1.1 104 106 A P - 0 0 28 0, 0.0 484,-0.2 0, 0.0 483,-0.1 -0.249 2.9-136.9 -72.1 151.2 17.6 16.1 4.7 105 107 A K S S- 0 0 110 482,-1.7 482,-0.1 481,-0.3 483,-0.1 0.873 91.9 -4.3 -70.3 -40.4 19.6 19.1 6.0 106 108 A S S S+ 0 0 105 2,-0.1 2,-0.0 481,-0.0 481,-0.0 0.744 122.2 25.7-122.3 -53.7 22.0 17.1 8.3 107 109 A G S S- 0 0 40 1,-0.2 2,-0.3 0, 0.0 0, 0.0 -0.050 88.1 -60.4-107.9-159.1 21.3 13.4 8.5 108 110 A Q - 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