==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 06-JUN-02 1GZV . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.DAVIES,H.MUIRHEAD . 554 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 423 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.0 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 38 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.5 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 4 0 3 2 1 0 2 0 1 3 1 1 0 0 1 0 2 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 2 0 1 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A A > 0 0 42 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -54.0 62.2 8.5 43.4 2 2 A A T >4 + 0 0 27 2,-0.2 3,-0.8 1,-0.2 4,-0.2 0.931 360.0 31.8 -34.0 -71.7 58.9 8.1 41.6 3 3 A L G >4 S+ 0 0 1 1,-0.2 3,-1.8 501,-0.2 6,-0.2 0.945 119.7 47.9 -66.6 -52.1 59.7 9.9 38.3 4 4 A T G 34 S+ 0 0 25 1,-0.3 -1,-0.2 5,-0.1 -2,-0.2 0.539 107.5 59.6 -69.1 -3.7 63.3 9.1 37.9 5 5 A Q G << S+ 0 0 114 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.405 82.8 116.5-100.1 0.4 62.7 5.4 38.7 6 6 A N <> - 0 0 13 -3,-1.8 4,-4.6 -4,-0.2 5,-0.3 -0.577 62.0-145.6 -83.4 128.6 60.3 5.1 35.8 7 7 A P H > S+ 0 0 82 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.904 104.6 43.3 -54.1 -49.7 61.0 2.8 32.9 8 8 A Q H > S+ 0 0 61 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.934 116.4 50.9 -68.0 -35.9 59.5 5.1 30.3 9 9 A F H > S+ 0 0 6 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.954 111.1 45.8 -60.2 -51.5 61.2 8.0 32.1 10 10 A K H X S+ 0 0 89 -4,-4.6 4,-1.8 1,-0.2 -1,-0.2 0.883 108.9 57.8 -60.6 -34.2 64.6 6.3 32.0 11 11 A K H X S+ 0 0 124 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.905 105.0 50.3 -62.1 -41.5 64.0 5.3 28.4 12 12 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 -3,-0.2 5,-0.2 0.872 103.9 60.5 -61.2 -39.8 63.6 9.0 27.4 13 13 A Q H X S+ 0 0 67 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.936 107.3 44.0 -57.5 -48.7 66.8 9.9 29.2 14 14 A T H X S+ 0 0 74 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.960 112.8 49.5 -67.5 -43.8 68.8 7.7 27.0 15 15 A W H X S+ 0 0 41 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.923 114.8 47.2 -56.6 -44.7 67.2 8.6 23.7 16 16 A Y H >X S+ 0 0 16 -4,-2.8 4,-1.9 1,-0.3 3,-0.5 0.962 110.5 48.7 -60.5 -52.3 67.7 12.3 24.6 17 17 A H H 3< S+ 0 0 145 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.791 119.0 47.5 -58.2 -20.5 71.2 11.8 25.7 18 18 A E H 3< S+ 0 0 140 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.758 121.0 23.5 -96.6 -27.4 71.5 10.1 22.4 19 19 A H H XX S+ 0 0 46 -4,-2.0 3,-2.1 -3,-0.5 4,-0.7 0.419 74.0 121.6-119.5 -1.6 69.8 12.2 19.8 20 20 A R G >< S+ 0 0 122 -4,-1.9 3,-1.5 1,-0.3 -1,-0.1 0.769 80.7 51.5 -38.9 -41.6 69.9 15.7 21.1 21 21 A S G 34 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.876 97.8 64.8 -63.7 -40.9 71.9 16.7 18.0 22 22 A D G <4 S+ 0 0 74 -3,-2.1 2,-1.4 1,-0.2 -1,-0.3 0.628 83.3 93.3 -52.7 -13.9 69.3 15.1 15.7 23 23 A L << + 0 0 7 -3,-1.5 2,-0.5 -4,-0.7 -1,-0.2 -0.441 46.8 138.2 -87.9 66.0 66.9 17.8 17.1 24 24 A N > - 0 0 53 -2,-1.4 4,-3.0 1,-0.1 5,-0.2 -0.928 41.8-153.2-111.7 125.1 67.1 20.7 14.7 25 25 A L H > S+ 0 0 0 -2,-0.5 4,-1.5 1,-0.2 -1,-0.1 0.839 93.3 54.8 -61.8 -36.6 63.9 22.5 13.7 26 26 A R H > S+ 0 0 82 410,-0.2 4,-0.8 1,-0.2 3,-0.5 0.968 114.3 38.4 -64.5 -49.0 65.1 23.7 10.4 27 27 A R H >> S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 3,-1.5 0.915 108.6 62.5 -69.5 -41.0 66.0 20.3 9.3 28 28 A L H 3X S+ 0 0 24 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.824 101.8 54.4 -53.5 -31.7 63.0 18.6 10.9 29 29 A F H 3< S+ 0 0 60 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.732 107.0 49.5 -77.8 -21.6 60.9 20.8 8.6 30 30 A E H << S+ 0 0 131 -3,-1.5 -2,-0.2 -4,-0.8 -1,-0.1 0.974 109.8 53.0 -72.9 -60.9 62.8 19.5 5.5 31 31 A G H < S+ 0 0 55 -4,-2.1 2,-0.6 1,-0.1 -2,-0.2 0.864 112.3 39.0 -33.1 -70.7 62.3 15.9 6.6 32 32 A D >< - 0 0 32 -4,-1.7 3,-1.2 -5,-0.1 4,-0.2 -0.829 65.7-164.3 -98.7 118.9 58.5 15.8 7.1 33 33 A K T 3 S+ 0 0 163 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.624 92.4 36.2 -76.9 -17.3 56.5 17.8 4.6 34 34 A D T 3> S+ 0 0 65 1,-0.1 4,-1.4 2,-0.1 -1,-0.3 -0.294 70.5 136.5-128.1 46.5 53.4 17.9 6.6 35 35 A R H X> S+ 0 0 7 -3,-1.2 4,-1.7 1,-0.2 3,-0.9 0.947 73.1 61.0 -52.3 -44.6 55.1 18.2 9.9 36 36 A F H >4 S+ 0 0 87 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.912 102.3 48.6 -50.1 -51.8 52.3 20.8 10.5 37 37 A N H >4 S+ 0 0 109 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.795 112.3 48.9 -63.5 -24.4 49.6 18.2 10.1 38 38 A H H << S+ 0 0 72 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.2 0.728 114.3 41.8 -91.6 -15.6 51.2 15.8 12.4 39 39 A F T << S+ 0 0 6 -4,-1.7 15,-1.5 -3,-0.7 16,-0.5 -0.423 99.0 88.1-125.5 54.9 51.9 18.2 15.2 40 40 A S E < -A 53 0A 26 -3,-0.5 2,-0.5 13,-0.2 13,-0.2 -0.998 53.7-154.4-151.8 147.7 48.7 20.2 15.3 41 41 A L E -A 52 0A 23 11,-2.3 11,-3.4 -2,-0.3 2,-0.6 -0.983 2.9-163.5-134.7 121.4 45.3 19.9 17.0 42 42 A N E -A 51 0A 92 -2,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.921 11.6-176.9-106.1 110.2 42.1 21.4 15.7 43 43 A L E -A 50 0A 13 7,-2.3 7,-1.8 -2,-0.6 2,-0.5 -0.862 8.6-162.1-107.5 139.3 39.2 21.6 18.3 44 44 A N E -A 49 0A 70 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.972 11.4-177.7-126.9 117.0 35.8 22.9 17.3 45 45 A T - 0 0 2 3,-2.9 4,-0.1 -2,-0.5 -1,-0.1 0.574 46.6-118.5 -86.6 -11.2 33.6 24.0 20.2 46 46 A N S S+ 0 0 134 2,-0.7 3,-0.1 0, 0.0 -2,-0.0 0.495 113.6 68.6 82.6 1.9 30.7 24.8 17.8 47 47 A H S S- 0 0 116 1,-0.7 438,-0.2 251,-0.0 2,-0.2 -0.177 123.7 -49.0-136.2 30.8 31.1 28.3 19.2 48 48 A G - 0 0 22 431,-0.1 -3,-2.9 436,-0.1 -1,-0.7 -0.499 64.1 -86.7 122.9 172.8 34.5 28.7 17.5 49 49 A R E -A 44 0A 104 -5,-0.2 430,-2.3 -2,-0.2 2,-0.4 -0.881 16.8-159.1-124.4 150.9 37.8 26.9 17.0 50 50 A I E -AB 43 478A 0 -7,-1.8 -7,-2.3 -2,-0.3 2,-0.6 -0.999 10.5-157.0-130.4 125.3 41.1 26.7 18.7 51 51 A L E -AB 42 477A 49 426,-2.7 426,-2.0 -2,-0.4 2,-0.9 -0.924 2.7-165.9-104.1 117.1 44.2 25.6 16.8 52 52 A L E -AB 41 476A 0 -11,-3.4 -11,-2.3 -2,-0.6 2,-0.8 -0.865 8.6-174.3-104.9 101.0 47.0 24.2 18.9 53 53 A D E +AB 40 475A 20 422,-2.2 422,-1.8 -2,-0.9 3,-0.3 -0.819 15.7 162.9 -95.4 102.3 50.0 24.1 16.6 54 54 A Y > + 0 0 15 -15,-1.5 3,-0.5 -2,-0.8 -14,-0.2 0.097 40.1 110.0-106.4 27.3 52.9 22.4 18.4 55 55 A S T 3 + 0 0 3 -16,-0.5 2,-0.6 1,-0.2 4,-0.2 0.769 63.5 67.3 -71.5 -30.1 55.1 21.7 15.4 56 56 A K T 3 S+ 0 0 33 417,-0.4 417,-1.6 -3,-0.3 2,-0.4 -0.186 79.6 111.1 -84.6 40.6 58.0 24.2 16.1 57 57 A N S < S- 0 0 1 -2,-0.6 2,-2.8 -3,-0.5 414,-0.0 -0.910 83.1-111.5-112.7 144.9 59.0 22.1 19.1 58 58 A L S S+ 0 0 4 -2,-0.4 2,-0.3 412,-0.1 -2,-0.1 -0.449 82.7 113.4 -71.3 78.0 62.3 20.1 19.3 59 59 A V - 0 0 0 -2,-2.8 2,-0.3 -4,-0.2 -2,-0.1 -0.972 48.6-161.0-151.2 150.9 60.3 17.0 19.2 60 60 A T > - 0 0 33 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.810 39.6 -96.3-127.2-179.0 59.6 14.0 17.0 61 61 A E H > S+ 0 0 109 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.932 123.7 48.9 -62.1 -48.1 57.0 11.3 16.6 62 62 A A H > S+ 0 0 50 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.904 112.2 50.4 -62.7 -35.5 58.9 8.8 18.6 63 63 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.939 109.8 49.2 -67.4 -46.4 59.4 11.4 21.3 64 64 A M H X S+ 0 0 19 -4,-3.2 4,-2.1 2,-0.2 5,-0.2 0.937 112.5 48.8 -54.8 -46.8 55.8 12.2 21.4 65 65 A Q H >X S+ 0 0 99 -4,-3.0 4,-3.0 1,-0.2 3,-0.6 0.978 112.0 47.9 -59.3 -52.7 54.9 8.5 21.6 66 66 A M H 3X S+ 0 0 20 -4,-3.2 4,-1.6 1,-0.3 -1,-0.2 0.811 110.5 53.4 -57.9 -29.4 57.4 8.0 24.4 67 67 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.3 0.829 108.5 48.4 -77.0 -30.3 55.9 11.0 26.1 68 68 A V H S+ 0 0 0 -4,-1.4 5,-1.9 1,-0.2 6,-0.3 0.868 112.0 50.3 -68.7 -39.3 51.7 9.8 31.1 72 72 A K H ><5S+ 0 0 119 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.937 110.5 48.4 -64.5 -47.5 49.9 6.5 30.7 73 73 A S H 3<5S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.687 107.4 56.3 -67.4 -23.3 52.3 4.7 32.9 74 74 A R T 3<5S- 0 0 50 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.357 117.8-102.0 -97.0 10.3 52.1 7.3 35.6 75 75 A G T <>5 + 0 0 25 -3,-1.3 4,-2.9 -4,-0.2 5,-0.3 0.747 67.9 146.1 88.6 24.9 48.3 7.2 36.1 76 76 A V H > S+ 0 0 79 -6,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.943 118.3 35.1 -54.3 -55.5 44.0 8.8 33.1 78 78 A A H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.858 111.1 60.6 -74.1 -29.2 42.8 7.5 36.5 79 79 A A H X S+ 0 0 4 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.978 106.1 52.8 -54.1 -44.5 44.2 10.4 38.4 80 80 A R H X S+ 0 0 16 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.894 106.3 48.2 -57.3 -46.6 41.9 12.3 36.2 81 81 A E H X S+ 0 0 68 -4,-1.5 4,-3.2 1,-0.2 -1,-0.2 0.881 106.2 59.2 -64.4 -33.6 38.7 10.2 37.0 82 82 A R H X>S+ 0 0 88 -4,-2.5 5,-2.1 2,-0.2 4,-0.6 0.936 106.3 48.8 -57.7 -40.4 39.6 10.6 40.7 83 83 A M H ><5S+ 0 0 0 -4,-1.7 3,-1.4 1,-0.2 -2,-0.2 0.976 114.5 42.9 -64.3 -56.4 39.4 14.3 40.2 84 84 A F H 3<5S+ 0 0 17 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 109.4 58.5 -58.8 -34.3 36.1 14.3 38.4 85 85 A N H 3<5S- 0 0 83 -4,-3.2 26,-0.4 -5,-0.2 -1,-0.2 0.561 113.3-112.2 -83.0 1.1 34.6 11.7 40.8 86 86 A G T <<5 + 0 0 7 -3,-1.4 27,-0.2 -4,-0.6 -3,-0.2 0.721 61.6 151.7 85.1 23.5 35.1 13.8 43.8 87 87 A E < - 0 0 101 -5,-2.1 2,-1.6 -6,-0.2 10,-0.7 -0.404 58.4-100.3 -78.4 162.1 37.7 11.8 45.6 88 88 A K + 0 0 74 8,-0.2 8,-0.3 1,-0.2 6,-0.1 -0.531 54.2 157.2 -91.0 81.9 40.0 13.7 47.9 89 89 A I + 0 0 19 -2,-1.6 2,-2.2 1,-0.2 -1,-0.2 0.610 54.6 90.7 -77.6 -9.5 43.1 14.0 45.7 90 90 A N B >> +F 95 0B 8 5,-2.4 5,-2.4 1,-0.2 4,-1.5 -0.650 64.1 178.3 -83.3 83.5 44.2 17.0 47.8 91 91 A F T 45 + 0 0 65 -2,-2.2 -1,-0.2 3,-0.2 -2,-0.1 0.734 64.3 48.7 -67.4 -27.8 46.1 14.6 50.0 92 92 A T T 45S+ 0 0 68 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.807 123.2 33.1 -85.0 -26.0 47.8 16.8 52.5 93 93 A E T 45S- 0 0 41 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.654 106.8-128.8 -99.8 -14.7 44.7 18.8 53.3 94 94 A D T <5 + 0 0 109 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.969 59.7 139.1 67.7 51.7 42.5 15.8 52.7 95 95 A R B < -F 90 0B 73 -5,-2.4 -5,-2.4 -7,-0.1 2,-0.2 -0.854 55.9-114.8-127.2 162.0 40.2 17.6 50.3 96 96 A A - 0 0 5 -2,-0.3 2,-0.6 -8,-0.3 -8,-0.2 -0.617 25.0-137.0 -89.6 156.4 38.4 17.0 47.0 97 97 A V + 0 0 6 -10,-0.7 3,-0.2 -2,-0.2 -11,-0.2 -0.893 40.0 153.8-119.1 97.2 39.5 19.1 44.1 98 98 A L >> + 0 0 0 170,-1.7 3,-1.4 -2,-0.6 4,-0.7 -0.189 20.0 129.7-128.6 46.1 36.4 20.1 42.3 99 99 A H H >> S+ 0 0 2 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.875 78.8 64.4 -63.6 -27.9 36.7 23.3 40.4 100 100 A V H 34 S+ 0 0 5 1,-0.3 -1,-0.3 -3,-0.2 3,-0.2 0.670 91.3 63.0 -68.2 -15.7 35.1 21.3 37.6 101 101 A A H X4 S+ 0 0 0 -3,-1.4 3,-1.3 1,-0.2 -1,-0.3 0.790 92.1 65.9 -76.6 -27.6 31.9 20.9 39.5 102 102 A L H << S+ 0 0 8 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.820 110.2 33.8 -62.2 -31.2 31.5 24.7 39.5 103 103 A R T 3< S+ 0 0 0 -4,-0.6 2,-2.2 -3,-0.2 -1,-0.3 -0.009 78.2 136.1-112.8 25.6 31.0 24.7 35.7 104 104 A N X + 0 0 13 -3,-1.3 3,-1.8 1,-0.2 193,-0.1 -0.538 26.7 176.2 -78.8 82.7 29.2 21.4 35.5 105 105 A R T 3 S+ 0 0 78 -2,-2.2 -1,-0.2 1,-0.3 192,-0.1 0.845 72.5 58.6 -63.8 -28.0 26.6 22.6 33.1 106 106 A S T 3 S- 0 0 72 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.457 98.2-134.4 -79.8 -1.3 25.0 19.2 32.8 107 107 A N < + 0 0 76 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.836 37.4 172.8 50.8 33.7 24.3 18.8 36.6 108 108 A T - 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