==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-NOV-01 1KHG . COMPND 2 MOLECULE: PHOSPHOENOLPYRUVATE CARBOXYKINASE, CYTOSOLIC . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.DUNTEN,C.BELUNIS,R.CROWTHER,K.HOLLFELDER,U.KAMMLOTT, . 603 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 14.3 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 . 3 0.5 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 . 43 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 3 1 1 1 0 2 3 0 1 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 3 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 PARALLEL BRIDGES PER LADDER . 3 5 4 3 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 . 1 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 10 A N 0 0 174 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -96.1 46.9 -10.2 52.0 2 11 A L >> + 0 0 22 1,-0.2 3,-3.9 2,-0.2 4,-0.5 0.971 360.0 66.7 -69.8 -54.9 45.6 -7.1 50.3 3 12 A S G >4 S+ 0 0 73 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.757 93.7 66.7 -35.1 -31.1 41.9 -7.4 51.4 4 13 A A G 34 S+ 0 0 87 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.577 94.5 53.0 -74.7 -12.0 43.3 -6.7 54.9 5 14 A K G <4 S+ 0 0 55 -3,-3.9 29,-3.2 -4,-0.1 2,-0.7 0.403 82.0 111.6 -99.3 -1.1 44.4 -3.1 54.2 6 15 A V E << +a 34 0A 32 -3,-1.1 29,-0.2 -4,-0.5 3,-0.1 -0.652 37.0 173.1 -77.7 114.7 41.0 -2.2 52.9 7 16 A V E + 0 0 85 27,-2.3 2,-0.3 -2,-0.7 28,-0.2 0.409 68.8 27.3-102.7 -0.1 39.4 0.2 55.4 8 17 A Q E S-a 35 0A 50 26,-0.8 28,-2.1 1,-0.1 -1,-0.3 -0.822 109.2 -3.5-163.3 124.8 36.3 1.0 53.3 9 18 A G S S- 0 0 52 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.327 80.6 -73.5 90.8-174.1 34.4 -1.0 50.6 10 19 A S >> - 0 0 50 1,-0.2 3,-3.1 -2,-0.1 4,-0.6 -0.955 10.9-148.0-136.5 123.5 35.1 -4.3 49.1 11 20 A L G >4 S+ 0 0 6 -2,-0.4 3,-2.0 1,-0.3 -1,-0.2 0.896 107.5 54.9 -39.7 -52.1 37.7 -5.6 46.6 12 21 A D G 34 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.599 99.0 64.5 -62.1 -11.7 35.1 -8.1 45.4 13 22 A S G <4 S+ 0 0 73 -3,-3.1 -1,-0.3 2,-0.1 -2,-0.2 0.595 87.9 85.9 -88.6 -12.9 32.7 -5.2 44.8 14 23 A L S << S- 0 0 10 -3,-2.0 2,-0.0 -4,-0.6 -5,-0.0 -0.656 90.5-106.3 -88.8 142.1 35.0 -3.8 42.1 15 24 A P > - 0 0 22 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.400 40.9-108.0 -56.5 145.8 34.8 -4.9 38.5 16 25 A Q H > S+ 0 0 96 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.860 117.0 51.7 -48.2 -49.2 37.8 -7.1 37.8 17 26 A A H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 111.1 47.6 -57.9 -46.9 39.7 -4.6 35.6 18 27 A V H > S+ 0 0 1 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.961 114.0 48.6 -56.8 -51.4 39.4 -1.9 38.3 19 28 A R H X S+ 0 0 46 -4,-2.5 4,-3.5 1,-0.2 -2,-0.2 0.886 109.0 51.6 -55.4 -45.7 40.6 -4.4 40.9 20 29 A E H X S+ 0 0 97 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.901 110.5 49.5 -61.0 -40.0 43.5 -5.5 38.8 21 30 A F H X S+ 0 0 15 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.918 113.4 46.5 -63.5 -44.4 44.5 -1.8 38.4 22 31 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.955 111.3 51.3 -62.0 -52.0 44.2 -1.3 42.2 23 32 A E H X S+ 0 0 59 -4,-3.5 4,-2.3 1,-0.2 5,-0.2 0.899 109.0 51.6 -52.2 -46.6 46.2 -4.5 43.0 24 33 A N H X S+ 0 0 106 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.887 115.3 37.8 -62.9 -43.4 49.1 -3.5 40.7 25 34 A N H X S+ 0 0 19 -4,-1.7 4,-4.0 2,-0.2 5,-0.3 0.763 113.2 56.0 -83.9 -24.3 49.7 -0.0 42.0 26 35 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.949 110.0 46.3 -66.9 -48.2 49.0 -1.0 45.7 27 36 A E H < S+ 0 0 149 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.834 120.3 42.7 -61.8 -29.5 51.7 -3.6 45.4 28 37 A L H < S+ 0 0 48 -4,-1.0 95,-2.0 -5,-0.2 96,-0.3 0.890 120.4 36.6 -83.9 -43.7 53.8 -0.9 43.7 29 38 A C H < S- 0 0 0 -4,-4.0 96,-1.5 93,-0.2 -3,-0.2 0.629 92.5-144.2 -87.3 -14.1 53.2 2.1 45.9 30 39 A Q < - 0 0 78 -4,-2.2 97,-0.3 -5,-0.3 98,-0.2 0.881 24.7-173.6 53.2 48.0 53.0 0.1 49.1 31 40 A P - 0 0 2 0, 0.0 95,-0.2 0, 0.0 98,-0.2 -0.422 30.0-132.6 -69.0 147.1 50.3 2.1 50.9 32 41 A D S S+ 0 0 61 96,-1.8 2,-0.3 93,-0.7 97,-0.2 0.889 86.6 17.2 -64.6 -38.5 49.4 1.3 54.5 33 42 A H E - b 0 129A 81 95,-1.2 97,-3.9 2,-0.0 2,-0.5 -0.943 61.7-140.1-140.4 159.1 45.7 1.3 53.6 34 43 A I E -ab 6 130A 0 -29,-3.2 -27,-2.3 -2,-0.3 -26,-0.8 -0.965 15.6-174.7-119.8 118.6 43.1 1.1 50.8 35 44 A H E -ab 8 131A 16 95,-2.5 97,-3.0 -2,-0.5 2,-1.0 -0.945 12.7-155.0-115.0 111.9 40.0 3.3 50.9 36 45 A I E - b 0 132A 8 -28,-2.1 97,-0.1 -2,-0.6 133,-0.1 -0.773 25.3-132.3 -86.6 104.6 37.5 2.7 48.1 37 46 A C - 0 0 0 95,-1.7 131,-0.1 -2,-1.0 -29,-0.0 -0.290 25.8-176.4 -61.6 136.7 35.7 6.0 47.8 38 47 A D - 0 0 49 130,-0.2 131,-1.9 2,-0.1 -1,-0.1 0.508 34.9-130.9-109.5 -11.0 31.9 5.8 47.7 39 48 A G + 0 0 11 129,-0.3 128,-0.1 1,-0.2 -2,-0.1 0.538 52.4 148.8 75.9 9.2 31.3 9.5 47.2 40 49 A S > - 0 0 30 1,-0.1 4,-2.3 4,-0.0 -1,-0.2 -0.336 59.9-120.2 -75.8 156.2 28.7 9.9 50.0 41 50 A E H > S+ 0 0 145 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.914 116.7 57.7 -58.0 -42.1 28.2 13.1 52.0 42 51 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 106.9 46.0 -54.9 -48.9 29.0 11.0 55.0 43 52 A E H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.901 111.3 53.2 -60.3 -42.5 32.4 10.0 53.6 44 53 A N H X S+ 0 0 25 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.932 108.0 50.3 -58.8 -46.6 33.0 13.6 52.6 45 54 A G H X S+ 0 0 41 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.909 111.1 49.6 -57.1 -44.3 32.3 14.7 56.2 46 55 A R H X S+ 0 0 107 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.957 111.4 47.2 -60.5 -52.2 34.7 12.0 57.5 47 56 A L H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.860 113.1 49.6 -59.3 -37.8 37.5 13.0 55.1 48 57 A L H X S+ 0 0 8 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.939 110.3 49.0 -67.0 -48.6 37.1 16.7 56.0 49 58 A G H X S+ 0 0 26 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.940 113.0 47.8 -56.0 -50.5 37.1 16.1 59.7 50 59 A Q H X S+ 0 0 105 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.964 110.7 51.9 -53.8 -52.6 40.3 14.0 59.4 51 60 A M H X>S+ 0 0 2 -4,-2.6 5,-2.4 1,-0.2 6,-1.5 0.864 109.0 50.8 -53.9 -37.9 41.8 16.8 57.2 52 61 A E H ><5S+ 0 0 82 -4,-2.6 3,-0.8 3,-0.2 -1,-0.2 0.943 110.7 49.8 -63.0 -47.1 40.9 19.3 60.0 53 62 A E H 3<5S+ 0 0 160 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.929 111.7 45.5 -56.7 -52.0 42.6 17.0 62.5 54 63 A E H 3<5S- 0 0 117 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.566 115.1-119.5 -70.3 -8.0 45.8 16.6 60.5 55 64 A G T <<5S+ 0 0 39 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.707 80.5 122.6 76.6 21.4 45.7 20.3 59.9 56 65 A I S -J 66 0B 0 6,-3.1 3,-1.7 -2,-0.4 6,-0.5 -0.820 14.2-171.0-100.0 96.5 35.8 28.8 57.6 61 70 A K T 3 S+ 0 0 154 -2,-0.9 296,-0.1 1,-0.3 297,-0.1 0.564 74.5 75.4 -67.3 -12.3 33.0 29.5 60.2 62 71 A K T 3 S+ 0 0 91 295,-1.7 -1,-0.3 4,-0.1 2,-0.2 0.799 102.4 46.9 -67.2 -24.8 31.7 32.6 58.4 63 72 A Y S X S- 0 0 33 -3,-1.7 2,-0.8 294,-0.4 3,-0.5 -0.695 92.9 -93.6-122.3 168.5 30.1 30.1 55.9 64 73 A D B 3 S-n 344 0C 100 279,-0.9 281,-1.8 1,-0.2 282,-0.3 -0.690 101.8 -27.4 -78.9 106.2 28.1 26.9 55.5 65 74 A N T 3 S+ 0 0 42 -2,-0.8 2,-0.4 1,-0.2 281,-0.3 0.866 92.8 151.2 56.0 47.3 30.5 24.0 55.1 66 75 A C E < -J 60 0B 0 -6,-0.5 -6,-3.1 -3,-0.5 2,-0.3 -0.905 21.8-169.2-113.3 140.2 33.5 26.0 53.6 67 76 A W E -Jk 59 347B 11 279,-2.2 281,-2.9 -2,-0.4 2,-0.4 -0.790 12.7-143.8-127.3 165.7 37.1 25.0 54.0 68 77 A L E -Jk 58 348B 5 -10,-2.2 -10,-2.0 -2,-0.3 2,-0.4 -0.988 7.3-168.1-136.1 125.9 40.6 26.4 53.4 69 78 A A E -Jk 57 349B 0 279,-3.0 281,-3.2 -2,-0.4 2,-0.4 -0.929 5.6-163.3-110.7 134.5 43.8 24.6 52.3 70 79 A L - 0 0 22 -14,-0.5 2,-0.2 -2,-0.4 308,-0.1 -0.966 16.2-158.4-115.3 135.8 47.1 26.3 52.5 71 80 A T - 0 0 2 -2,-0.4 128,-0.1 306,-0.1 5,-0.1 -0.482 30.2 -84.5-109.4 176.8 50.0 24.8 50.5 72 81 A D > - 0 0 3 3,-0.2 3,-2.6 -2,-0.2 -1,-0.1 -0.695 45.3-125.6 -73.9 128.6 53.8 24.7 50.3 73 82 A P T 3 S+ 0 0 57 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.593 107.8 67.1 -58.0 -9.3 54.6 27.9 48.3 74 83 A R T 3 S+ 0 0 127 1,-0.2 2,-0.3 2,-0.1 3,-0.1 0.442 98.8 52.1 -89.1 -1.7 56.5 25.6 45.9 75 84 A D < + 0 0 4 -3,-2.6 -1,-0.2 1,-0.1 -3,-0.2 -0.685 68.7 116.9-137.7 78.5 53.4 23.9 44.8 76 85 A V S S+ 0 0 25 -2,-0.3 2,-0.3 -3,-0.2 -1,-0.1 0.346 71.4 7.2-130.4 3.4 50.8 26.5 43.7 77 86 A A S S- 0 0 30 -3,-0.1 -1,-0.2 149,-0.1 149,-0.1 -0.985 88.5 -58.5-173.7 169.9 50.2 26.0 39.9 78 87 A R - 0 0 68 -2,-0.3 2,-0.6 -3,-0.1 -2,-0.1 -0.346 41.8-147.1 -60.3 142.4 50.6 23.9 36.8 79 88 A I > - 0 0 47 1,-0.2 3,-0.8 3,-0.1 131,-0.2 -0.921 11.9-172.3-113.6 103.7 54.3 23.4 35.8 80 89 A E G > S+ 0 0 68 -2,-0.6 3,-2.7 1,-0.2 -1,-0.2 0.942 84.2 59.0 -61.2 -46.9 54.4 23.3 32.1 81 90 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.2 128,-0.0 -2,-0.0 0.764 110.0 44.7 -49.2 -31.0 58.2 22.3 32.1 82 91 A K G < S+ 0 0 75 -3,-0.8 128,-2.7 127,-0.0 2,-0.6 0.177 93.4 97.3-102.8 15.9 57.2 19.2 34.1 83 92 A T E < +c 210 0A 12 -3,-2.7 2,-0.3 126,-0.2 23,-0.3 -0.928 53.0 170.7-111.3 120.5 54.2 18.3 32.0 84 93 A V E -c 211 0A 0 126,-2.6 128,-1.0 -2,-0.6 2,-0.4 -0.899 30.7-149.1-134.1 156.9 54.8 15.6 29.4 85 94 A I E -cd 212 107A 14 21,-1.8 23,-1.7 -2,-0.3 2,-0.6 -0.989 22.1-144.5-122.7 133.5 53.1 13.4 26.9 86 95 A V E + d 0 108A 5 126,-3.4 129,-0.4 -2,-0.4 2,-0.3 -0.875 31.6 149.0-110.5 112.4 54.6 10.0 26.2 87 96 A T - 0 0 2 21,-0.6 23,-0.4 -2,-0.6 6,-0.1 -0.938 55.3-112.7-137.2 158.0 54.5 8.5 22.6 88 97 A Q S S+ 0 0 136 -2,-0.3 2,-0.4 21,-0.1 -1,-0.1 0.867 106.6 37.8 -56.6 -40.2 56.6 6.3 20.4 89 98 A E S > S- 0 0 120 1,-0.1 3,-0.8 20,-0.1 4,-0.5 -0.957 70.3-145.3-119.5 134.5 57.3 9.2 18.0 90 99 A Q G >> S+ 0 0 76 -2,-0.4 3,-2.6 1,-0.2 4,-2.4 0.916 98.8 66.6 -58.0 -45.6 57.9 12.8 19.0 91 100 A R G 34 S+ 0 0 110 1,-0.3 -1,-0.2 2,-0.2 382,-0.1 0.804 95.4 57.6 -44.3 -38.4 56.1 14.0 15.8 92 101 A D G <4 S+ 0 0 62 -3,-0.8 381,-1.5 1,-0.2 -1,-0.3 0.718 114.6 36.6 -70.9 -19.8 52.9 12.6 17.2 93 102 A T T <4 S- 0 0 3 -3,-2.6 -2,-0.2 -4,-0.5 381,-0.2 0.850 131.5 -0.2 -99.5 -47.4 53.1 14.7 20.4 94 103 A V S < S- 0 0 2 -4,-2.4 -1,-0.4 379,-0.2 379,-0.2 -0.970 76.8-104.8-140.3 153.0 54.6 18.0 19.1 95 104 A P - 0 0 0 0, 0.0 9,-0.2 0, 0.0 489,-0.1 -0.529 40.7-108.7 -72.0 148.1 55.7 19.3 15.7 96 105 A I - 0 0 74 487,-0.2 489,-0.4 -2,-0.2 490,-0.2 -0.738 42.1-136.2 -79.6 113.0 59.5 19.4 15.2 97 106 A P - 0 0 23 0, 0.0 485,-0.2 0, 0.0 484,-0.1 -0.249 8.1-128.2 -71.0 156.9 60.2 23.2 15.3 98 107 A K S S+ 0 0 115 483,-3.0 2,-0.3 1,-0.2 484,-0.1 0.823 90.7 6.4 -71.7 -35.3 62.5 24.9 12.8 99 108 A T S S+ 0 0 79 482,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.971 114.9 1.4-145.7 159.1 64.4 26.6 15.6 100 109 A G S S- 0 0 67 -2,-0.3 2,-0.3 -3,-0.1 3,-0.0 -0.189 98.8 -44.7 61.7-154.9 64.6 26.6 19.4 101 110 A L - 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