==== 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 ISOMERASE 12-APR-03 1P1K . COMPND 2 MOLECULE: INOSITOL-3-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR X.JIN,J.H.GEIGER . 1037 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 748 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 93 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 5 2 2 2 2 3 1 2 1 1 2 4 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 2 2 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 PARALLEL BRIDGES PER LADDER . 6 2 3 0 3 1 0 1 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 9 A I 0 0 202 0, 0.0 2,-0.3 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 141.1 -31.9 18.4 28.3 2 10 A T + 0 0 59 559,-0.1 2,-0.3 2,-0.0 559,-0.2 -0.601 360.0 171.2 -83.4 143.1 -28.4 17.7 29.7 3 11 A S E -a 561 0A 53 557,-0.7 559,-3.3 -2,-0.3 2,-0.4 -0.894 25.9-130.0-142.7 172.3 -27.5 19.2 33.1 4 12 A V E -a 562 0A 22 120,-0.5 2,-0.6 121,-0.3 559,-0.2 -0.991 12.3-171.0-133.7 125.9 -24.8 19.1 35.7 5 13 A K E -a 563 0A 120 557,-3.6 559,-2.5 -2,-0.4 2,-0.7 -0.917 8.0-166.5-118.1 105.3 -25.2 18.5 39.4 6 14 A V E -a 564 0A 24 -2,-0.6 2,-1.3 557,-0.2 559,-0.2 -0.810 14.6-144.5 -93.4 115.7 -22.0 19.0 41.4 7 15 A V + 0 0 89 557,-2.7 2,-0.3 -2,-0.7 -2,-0.0 -0.657 49.1 134.9 -80.9 97.9 -22.2 17.7 45.0 8 16 A T - 0 0 32 -2,-1.3 3,-0.3 3,-0.2 504,-0.1 -0.960 59.3-138.7-142.0 157.4 -20.1 20.3 46.8 9 17 A D S S+ 0 0 144 -2,-0.3 502,-0.1 1,-0.2 -2,-0.1 0.310 96.0 77.0 -99.1 5.8 -20.5 22.3 50.0 10 18 A K S S+ 0 0 67 501,-0.1 11,-2.3 500,-0.1 2,-0.4 0.603 89.3 66.1 -86.9 -14.7 -19.2 25.4 48.3 11 19 A C E +H 20 0B 19 -3,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.934 55.8 172.2-119.0 131.1 -22.5 26.0 46.5 12 20 A T E -H 19 0B 79 7,-2.5 7,-3.4 -2,-0.4 2,-0.5 -0.971 22.3-136.6-133.5 146.8 -25.9 26.9 47.9 13 21 A Y E +H 18 0B 151 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.890 24.2 168.7-108.5 131.2 -29.2 27.8 46.2 14 22 A K - 0 0 129 3,-3.1 -2,-0.0 -2,-0.5 0, 0.0 -0.874 65.2 -29.3-145.2 109.0 -31.4 30.6 47.4 15 23 A D S S- 0 0 130 -2,-0.3 37,-0.1 1,-0.2 3,-0.1 0.965 126.0 -36.6 52.2 72.0 -34.4 32.1 45.5 16 24 A N S S+ 0 0 96 1,-0.2 36,-2.8 36,-0.1 37,-0.8 0.748 121.5 107.9 56.7 22.9 -33.4 31.5 41.8 17 25 A E E - I 0 51B 56 34,-0.2 -3,-3.1 35,-0.2 2,-0.5 -0.994 58.6-148.4-136.1 141.3 -29.8 32.2 42.8 18 26 A L E -HI 13 50B 1 32,-2.1 32,-2.5 -2,-0.4 2,-0.5 -0.905 11.9-159.3-106.3 131.6 -26.7 30.1 43.2 19 27 A L E -HI 12 49B 39 -7,-3.4 -7,-2.5 -2,-0.5 2,-0.4 -0.964 12.7-176.9-113.7 124.9 -24.1 31.2 45.8 20 28 A T E -HI 11 48B 1 28,-2.6 28,-3.4 -2,-0.5 2,-0.3 -0.981 17.7-148.2-131.4 126.6 -20.6 29.8 45.4 21 29 A K E + I 0 47B 133 -11,-2.3 2,-0.3 -2,-0.4 26,-0.2 -0.638 23.6 178.1 -85.1 142.9 -17.5 30.3 47.6 22 30 A Y E - I 0 46B 37 24,-2.8 24,-2.8 -2,-0.3 2,-0.8 -0.959 25.7-147.5-151.6 131.0 -14.2 30.3 45.8 23 31 A S E - I 0 45B 45 -2,-0.3 2,-0.6 22,-0.2 22,-0.3 -0.855 21.5-152.8-101.0 106.0 -10.6 30.8 47.0 24 32 A Y E - I 0 44B 6 20,-2.5 20,-1.2 -2,-0.8 2,-0.4 -0.676 12.7-165.5 -82.4 120.3 -8.7 32.6 44.2 25 33 A E E + I 0 43B 81 -2,-0.6 2,-0.2 18,-0.2 18,-0.2 -0.867 22.7 136.7-112.0 140.5 -5.0 31.8 44.2 26 34 A N E - I 0 42B 15 16,-1.8 16,-2.8 -2,-0.4 2,-0.3 -0.752 36.3-126.1-153.8-165.0 -2.2 33.6 42.4 27 35 A A E - I 0 41B 1 14,-0.3 609,-2.2 -2,-0.2 2,-0.4 -0.950 7.4-137.4-159.7 138.6 1.3 34.8 43.1 28 36 A V E -jI 636 40B 53 12,-2.9 12,-2.9 -2,-0.3 2,-0.3 -0.795 26.5-158.5 -98.9 142.4 3.2 38.0 42.9 29 37 A V E - I 0 39B 2 607,-2.2 2,-0.3 -2,-0.4 609,-0.2 -0.914 16.8-179.6-126.8 151.8 6.8 38.0 41.6 30 38 A T E - I 0 38B 81 8,-1.4 8,-3.4 -2,-0.3 2,-0.7 -0.990 21.4-138.0-144.0 141.7 9.9 40.1 41.7 31 39 A K E - I 0 37B 127 -2,-0.3 6,-0.3 6,-0.2 498,-0.0 -0.886 23.9-125.1-111.3 106.7 13.2 39.5 40.1 32 40 A T - 0 0 41 4,-1.9 3,-0.3 -2,-0.7 4,-0.1 -0.075 24.1-116.0 -43.9 138.0 16.3 40.2 42.2 33 41 A A S S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.903 120.0 54.5 -43.7 -45.5 18.7 42.7 40.6 34 42 A S S S- 0 0 105 1,-0.1 -1,-0.3 493,-0.0 -2,-0.1 0.923 130.5 -91.4 -56.4 -49.8 21.1 39.7 40.6 35 43 A G S S+ 0 0 23 -3,-0.3 493,-0.8 1,-0.2 2,-0.2 0.548 79.5 123.7 144.4 20.4 18.7 37.4 38.8 36 44 A R E - k 0 528B 88 491,-0.2 -4,-1.9 -4,-0.1 2,-0.6 -0.662 52.6-128.1-103.3 161.5 16.5 35.4 41.2 37 45 A F E -Ik 31 529B 12 491,-2.5 493,-3.2 -6,-0.3 2,-0.7 -0.948 13.7-159.7-112.6 118.1 12.7 35.3 41.3 38 46 A D E -Ik 30 530B 46 -8,-3.4 -8,-1.4 -2,-0.6 2,-0.6 -0.881 15.6-165.6 -97.0 112.5 11.1 35.9 44.6 39 47 A V E -Ik 29 531B 0 491,-2.6 493,-2.1 -2,-0.7 -10,-0.2 -0.885 10.5-172.0-109.8 115.0 7.6 34.5 44.4 40 48 A T E -I 28 0B 70 -12,-2.9 -12,-2.9 -2,-0.6 493,-0.1 -0.868 19.2-139.2-106.4 111.4 4.9 35.3 47.0 41 49 A P E -I 27 0B 41 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 -0.245 20.9-161.5 -61.9 157.3 1.7 33.3 46.7 42 50 A T E -I 26 0B 46 -16,-2.8 -16,-1.8 2,-0.0 2,-0.3 -0.955 9.0-169.5-138.7 156.8 -1.5 35.2 47.2 43 51 A V E +I 25 0B 87 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.982 7.8 176.1-145.8 153.7 -5.0 34.2 48.1 44 52 A Q E -I 24 0B 55 -20,-1.2 -20,-2.5 -2,-0.3 2,-0.2 -0.831 21.0-142.1-161.9 114.2 -8.4 36.0 48.1 45 53 A D E -IL 23 456B 53 411,-0.6 411,-3.1 -2,-0.3 2,-0.3 -0.560 21.7-177.1 -84.2 148.8 -11.7 34.3 48.9 46 54 A Y E -IL 22 455B 16 -24,-2.8 -24,-2.8 409,-0.3 2,-0.5 -0.935 24.7-145.4-139.6 161.5 -14.9 35.2 47.1 47 55 A V E -IL 21 454B 14 407,-1.6 407,-0.9 -2,-0.3 2,-0.3 -0.989 23.3-157.4-129.9 116.6 -18.5 34.4 47.1 48 56 A F E -IL 20 453B 1 -28,-3.4 -28,-2.6 -2,-0.5 2,-0.5 -0.742 1.4-155.4 -96.5 144.1 -20.0 34.5 43.6 49 57 A K E -IL 19 452B 40 403,-3.3 403,-2.2 -2,-0.3 2,-0.6 -0.986 7.0-167.7-122.4 121.1 -23.7 35.1 43.0 50 58 A L E -IL 18 451B 1 -32,-2.5 -32,-2.1 -2,-0.5 2,-0.7 -0.947 19.3-137.6-113.9 119.4 -25.3 33.8 39.8 51 59 A D E -I 17 0B 55 399,-2.9 -34,-0.2 -2,-0.6 -35,-0.1 -0.625 18.5-167.5 -71.8 113.0 -28.8 34.9 38.9 52 60 A L + 0 0 36 -36,-2.8 2,-1.4 -2,-0.7 -1,-0.2 0.770 63.3 89.0 -77.2 -26.6 -30.3 31.6 37.7 53 61 A K - 0 0 148 -37,-0.8 -1,-0.1 -3,-0.1 3,-0.1 -0.596 66.2-168.6 -76.9 96.2 -33.4 33.1 36.1 54 62 A K - 0 0 89 -2,-1.4 2,-0.1 1,-0.1 74,-0.1 -0.478 32.5 -86.9 -81.5 155.6 -32.2 33.9 32.6 55 63 A P - 0 0 19 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.379 24.0-140.9 -65.5 137.4 -34.3 36.0 30.2 56 64 A E S S+ 0 0 179 1,-0.2 2,-0.3 -2,-0.1 172,-0.0 0.796 93.5 18.9 -66.7 -26.4 -36.9 34.2 28.2 57 65 A K S S- 0 0 76 170,-0.1 2,-0.5 72,-0.0 173,-0.5 -0.995 74.0-152.7-144.2 136.9 -36.0 36.4 25.3 58 66 A L E -o 134 0C 0 75,-2.1 77,-2.7 -2,-0.3 2,-0.3 -0.952 15.6-134.4-117.3 124.5 -32.8 38.5 24.8 59 67 A G E -op 135 231C 0 171,-2.0 173,-2.1 -2,-0.5 2,-0.4 -0.567 21.0-171.3 -77.8 136.0 -32.9 41.6 22.7 60 68 A I E -op 136 232C 0 75,-2.7 77,-2.4 -2,-0.3 2,-0.5 -0.997 5.7-171.7-129.3 125.8 -30.0 42.1 20.3 61 69 A M E -op 137 233C 0 171,-2.1 173,-1.9 -2,-0.4 2,-0.4 -0.945 9.9-162.2-122.5 110.2 -29.5 45.3 18.3 62 70 A L E > -op 138 234C 0 75,-2.6 77,-2.2 -2,-0.5 2,-0.9 -0.742 14.9-146.7 -95.6 135.8 -26.8 45.2 15.6 63 71 A I E 3 S+op 139 235C 3 171,-2.0 173,-2.7 -2,-0.4 77,-0.2 -0.894 99.7 31.5 -98.1 106.3 -25.1 48.2 14.1 64 72 A G T > S+ 0 0 7 75,-3.0 3,-2.3 -2,-0.9 6,-0.6 0.586 76.3 160.1 112.7 28.5 -24.6 47.0 10.6 65 73 A L T < + 0 0 0 74,-2.2 9,-0.2 -3,-0.8 75,-0.2 0.677 69.9 52.6 -54.6 -22.4 -27.7 44.8 10.6 66 74 A G T 3 S+ 0 0 0 73,-0.3 -1,-0.3 4,-0.1 74,-0.1 0.339 91.5 96.4 -99.9 7.6 -27.8 44.6 6.9 67 75 A G S <> S- 0 0 16 -3,-2.3 4,-1.9 169,-0.2 5,-0.2 -0.031 96.0 -83.4 -83.5-169.8 -24.2 43.5 6.3 68 76 A N H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.931 128.4 39.0 -61.3 -46.5 -22.8 40.0 5.8 69 77 A N H > S+ 0 0 31 2,-0.2 4,-2.7 167,-0.2 -1,-0.2 0.898 116.2 48.6 -71.8 -44.4 -22.7 39.2 9.5 70 78 A G H > S+ 0 0 0 -6,-0.6 4,-2.0 166,-0.3 5,-0.2 0.918 114.1 48.4 -62.3 -42.1 -25.9 40.9 10.6 71 79 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -7,-0.2 -2,-0.2 0.942 114.0 44.0 -61.4 -54.0 -27.8 39.2 7.8 72 80 A T H X S+ 0 0 1 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.874 108.8 59.5 -63.9 -36.6 -26.4 35.8 8.5 73 81 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.968 108.6 42.3 -57.9 -54.2 -27.0 36.2 12.2 74 82 A V H X S+ 0 0 11 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.907 115.4 51.3 -59.0 -41.0 -30.7 36.7 11.8 75 83 A A H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.915 109.1 50.0 -62.7 -43.6 -30.9 33.9 9.3 76 84 A S H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.906 112.7 47.9 -62.9 -40.7 -29.0 31.5 11.6 77 85 A V H X S+ 0 0 7 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.946 115.3 43.1 -65.1 -48.9 -31.4 32.4 14.4 78 86 A L H X S+ 0 0 30 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.935 115.1 49.8 -62.6 -46.5 -34.6 32.0 12.3 79 87 A A H <>S+ 0 0 0 -4,-3.1 5,-3.0 -5,-0.2 4,-0.3 0.913 117.2 39.5 -58.9 -46.5 -33.3 28.8 10.6 80 88 A N H ><5S+ 0 0 15 -4,-2.3 3,-0.7 -5,-0.2 -2,-0.2 0.915 113.6 52.8 -72.2 -44.7 -32.4 27.1 13.9 81 89 A K H 3<5S+ 0 0 85 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.894 122.1 31.1 -58.9 -41.6 -35.3 28.3 16.0 82 90 A H T 3<5S- 0 0 86 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.307 107.7-121.7 -99.9 7.4 -37.8 27.0 13.4 83 91 A N T < 5 - 0 0 120 -3,-0.7 2,-1.3 -4,-0.3 -3,-0.2 0.964 37.7-173.2 49.2 61.5 -35.6 24.1 12.3 84 92 A V < - 0 0 23 -5,-3.0 -1,-0.2 -6,-0.1 79,-0.1 -0.688 4.2-163.6 -89.7 87.0 -35.6 25.2 8.7 85 93 A E - 0 0 82 -2,-1.3 2,-0.3 -3,-0.2 9,-0.2 -0.321 10.9-164.2 -66.8 155.5 -33.9 22.4 6.8 86 94 A F E -U 93 0D 0 7,-1.9 7,-3.2 5,-0.1 2,-0.3 -0.935 17.0-107.9-142.5 164.5 -32.6 23.3 3.4 87 95 A Q E +U 92 0D 83 -2,-0.3 72,-0.4 5,-0.2 73,-0.3 -0.703 37.2 156.9 -97.3 144.2 -31.4 21.7 0.1 88 96 A T E > -U 91 0D 20 3,-0.8 3,-1.5 -2,-0.3 851,-0.0 -0.837 59.5 -88.1-148.2-179.0 -27.8 21.7 -1.2 89 97 A K T 3 S+ 0 0 184 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.620 129.0 54.9 -76.1 -8.1 -25.8 19.5 -3.6 90 98 A E T 3 S- 0 0 109 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 0.222 121.5-109.1-101.9 10.6 -25.0 17.3 -0.6 91 99 A G E < -U 88 0D 29 -3,-1.5 -3,-0.8 2,-0.0 -1,-0.4 -0.546 65.0 -9.3 100.1-164.6 -28.7 16.9 0.1 92 100 A V E -U 87 0D 66 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.595 63.6-162.6 -76.1 128.8 -30.9 18.2 2.8 93 101 A K E -U 86 0D 38 -7,-3.2 -7,-1.9 -2,-0.4 -2,-0.0 -0.864 12.9-134.2-113.6 145.9 -29.1 19.8 5.7 94 102 A Q - 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