==== 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 1P1F . COMPND 2 MOLECULE: INOSITOL-3-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR X.JIN,J.H.GEIGER . 997 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 702 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 13.4 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 . 8 0.8 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 . 105 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 6 0 1 0 2 2 4 2 1 0 3 0 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 1 3 2 1 3 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 . 8 5 1 2 1 2 0 2 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 1 0 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 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 0 183 0, 0.0 2,-0.5 0, 0.0 123,-0.0 0.000 360.0 360.0 360.0 131.2 -31.9 19.0 28.5 2 10 A T + 0 0 60 537,-0.1 2,-0.3 121,-0.0 537,-0.2 -0.611 360.0 177.5 -78.2 117.7 -28.3 18.8 29.6 3 11 A S E -a 539 0A 50 535,-1.8 537,-2.7 -2,-0.5 2,-0.2 -0.735 19.3-165.4-115.1 165.0 -27.7 19.3 33.3 4 12 A V E -a 540 0A 16 121,-0.3 2,-0.8 535,-0.3 537,-0.2 -0.686 6.4-171.7-154.5 91.4 -24.7 19.1 35.5 5 13 A K E -a 541 0A 114 535,-1.2 537,-2.7 -2,-0.2 2,-0.4 -0.794 8.7-163.3 -91.6 109.8 -25.3 18.9 39.3 6 14 A V E -a 542 0A 16 -2,-0.8 2,-0.7 535,-0.2 537,-0.2 -0.794 11.9-139.4 -95.1 133.6 -22.1 19.3 41.2 7 15 A V + 0 0 90 535,-2.7 2,-0.3 -2,-0.4 480,-0.0 -0.823 47.1 125.2 -96.4 110.1 -22.0 18.2 44.9 8 16 A T > - 0 0 35 -2,-0.7 3,-0.8 3,-0.2 481,-0.1 -0.986 61.9-130.4-160.4 153.6 -20.1 20.6 47.1 9 17 A D T 3 S+ 0 0 141 -2,-0.3 479,-0.1 1,-0.2 -2,-0.0 0.347 100.4 77.3 -88.3 6.4 -20.5 22.6 50.3 10 18 A K T 3 S+ 0 0 72 1,-0.1 11,-3.1 477,-0.1 2,-0.5 0.538 88.2 67.0 -89.7 -8.1 -19.1 25.6 48.4 11 19 A C E < +D 20 0B 24 -3,-0.8 2,-0.3 9,-0.3 9,-0.3 -0.960 57.4 175.6-123.2 128.3 -22.5 26.1 46.6 12 20 A T E -D 19 0B 75 7,-3.6 7,-3.3 -2,-0.5 2,-0.6 -0.947 20.2-141.8-127.9 145.0 -25.8 27.2 48.1 13 21 A Y E +D 18 0B 144 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.887 28.0 161.8-112.8 107.7 -29.2 27.9 46.3 14 22 A K - 0 0 135 3,-1.5 3,-0.3 -2,-0.6 -2,-0.1 -0.974 63.2 -20.1-129.4 123.6 -31.3 30.7 47.7 15 23 A D S S- 0 0 119 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.903 122.7 -46.1 53.7 57.5 -34.2 32.5 45.9 16 24 A N S S+ 0 0 110 1,-0.2 36,-1.5 36,-0.1 37,-1.0 0.795 119.9 102.9 60.4 28.1 -33.5 31.7 42.2 17 25 A E E - E 0 51B 48 -3,-0.3 -3,-1.5 34,-0.2 2,-0.5 -0.989 66.0-130.2-141.7 149.3 -29.8 32.6 42.7 18 26 A L E -DE 13 50B 2 32,-2.7 32,-2.1 -2,-0.3 2,-0.6 -0.878 14.1-164.7-105.7 126.9 -26.6 30.6 43.1 19 27 A L E +DE 12 49B 37 -7,-3.3 -7,-3.6 -2,-0.5 2,-0.4 -0.929 13.5 175.9-114.9 114.0 -24.1 31.3 45.9 20 28 A T E -DE 11 48B 0 28,-2.1 28,-2.5 -2,-0.6 2,-0.3 -0.977 20.6-144.6-122.8 126.2 -20.6 29.8 45.4 21 29 A K E + E 0 47B 130 -11,-3.1 2,-0.3 -2,-0.4 26,-0.2 -0.623 24.8 178.9 -84.9 143.0 -17.6 30.2 47.7 22 30 A Y E - E 0 46B 44 24,-2.6 24,-3.4 -2,-0.3 2,-0.8 -0.988 26.8-147.6-151.8 140.0 -14.2 30.4 46.0 23 31 A S E - E 0 45B 52 -2,-0.3 2,-0.8 22,-0.2 22,-0.2 -0.849 19.6-156.2-110.3 97.2 -10.6 30.8 47.1 24 32 A Y E - E 0 44B 3 20,-1.9 20,-1.3 -2,-0.8 2,-0.3 -0.608 13.3-172.2 -78.2 107.4 -8.7 32.6 44.4 25 33 A E E + E 0 43B 71 -2,-0.8 2,-0.2 18,-0.2 18,-0.2 -0.717 18.0 143.6 -99.6 151.4 -5.1 31.9 44.6 26 34 A N E - E 0 42B 21 16,-2.8 16,-3.2 -2,-0.3 2,-0.3 -0.812 33.1-128.3-161.2-168.1 -2.4 33.6 42.6 27 35 A A E - E 0 41B 3 14,-0.3 587,-2.1 -2,-0.2 2,-0.3 -0.965 2.7-138.0-161.4 143.9 1.2 34.8 43.3 28 36 A V E -fE 614 40B 44 12,-2.8 12,-3.6 -2,-0.3 2,-0.3 -0.806 23.9-159.9-104.1 145.8 3.3 37.8 43.0 29 37 A V E - E 0 39B 4 585,-2.5 2,-0.3 -2,-0.3 10,-0.2 -0.894 12.7-172.6-128.1 155.8 6.9 37.6 41.8 30 38 A T E - E 0 38B 86 8,-1.0 8,-3.3 -2,-0.3 585,-0.0 -0.978 12.5-148.9-147.7 131.4 10.1 39.7 41.9 31 39 A K - 0 0 93 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 -0.042 14.7-142.6 -84.0-168.8 13.4 39.2 40.1 32 40 A T > - 0 0 38 1,-0.1 3,-2.8 5,-0.0 5,-0.0 -0.984 29.1-107.6-156.9 153.2 16.9 40.2 41.4 33 41 A A T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.826 126.5 50.7 -51.2 -31.9 20.2 41.5 40.1 34 42 A S T 3 S- 0 0 69 2,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.547 125.4-108.4 -83.4 -9.0 21.5 38.0 40.6 35 43 A G < + 0 0 10 -3,-2.8 471,-1.6 1,-0.3 2,-0.5 0.886 65.3 148.2 85.4 42.8 18.5 36.6 38.7 36 44 A R E - g 0 506B 91 469,-0.2 2,-0.7 471,-0.0 -1,-0.3 -0.926 39.7-142.7-113.1 133.2 16.4 35.1 41.4 37 45 A F E - g 0 507B 8 469,-2.8 471,-2.5 -2,-0.5 2,-0.9 -0.837 10.3-159.9 -94.3 116.4 12.6 34.9 41.2 38 46 A D E -Eg 30 508B 49 -8,-3.3 -8,-1.0 -2,-0.7 2,-0.6 -0.877 11.8-163.0 -97.2 107.9 11.1 35.4 44.6 39 47 A V E -Eg 29 509B 0 469,-2.3 471,-2.4 -2,-0.9 -10,-0.2 -0.836 9.2-175.4 -97.2 118.1 7.6 34.0 44.3 40 48 A T E -E 28 0B 63 -12,-3.6 -12,-2.8 -2,-0.6 471,-0.1 -0.897 21.6-132.9-118.4 104.5 5.2 35.1 47.0 41 49 A P E -E 27 0B 48 0, 0.0 2,-0.3 0, 0.0 -14,-0.3 0.101 14.6-151.9 -47.6 161.7 1.7 33.4 46.8 42 50 A T E -E 26 0B 49 -16,-3.2 -16,-2.8 2,-0.0 2,-0.4 -0.976 11.4-176.6-145.4 123.5 -1.6 35.2 47.1 43 51 A V E +E 25 0B 93 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.965 6.5 170.5-123.2 140.8 -4.9 34.0 48.3 44 52 A Q E -E 24 0B 61 -20,-1.3 -20,-1.9 -2,-0.4 2,-0.3 -0.947 24.5-135.4-151.7 123.4 -8.1 36.1 48.3 45 53 A D E -EH 23 433B 49 388,-0.7 388,-3.2 -2,-0.3 2,-0.3 -0.596 22.7-176.6 -89.9 145.3 -11.5 34.7 49.1 46 54 A Y E -EH 22 432B 16 -24,-3.4 -24,-2.6 -2,-0.3 2,-0.4 -0.890 23.0-152.2-135.3 164.7 -14.7 35.3 47.2 47 55 A V E -E 21 0B 24 384,-0.9 -26,-0.2 -2,-0.3 2,-0.2 -0.886 22.8-161.3-139.9 101.0 -18.4 34.6 47.2 48 56 A F E -E 20 0B 1 -28,-2.5 -28,-2.1 -2,-0.4 2,-0.4 -0.541 3.3-158.9 -86.0 149.8 -19.9 34.7 43.7 49 57 A K E -EI 19 429B 37 380,-3.7 380,-3.3 -30,-0.2 2,-0.6 -0.997 2.8-166.8-131.4 126.4 -23.7 35.0 43.1 50 58 A L E -EI 18 428B 0 -32,-2.1 -32,-2.7 -2,-0.4 2,-0.7 -0.956 20.7-137.2-117.5 112.4 -25.2 34.0 39.8 51 59 A D E -E 17 0B 45 376,-2.8 -34,-0.2 -2,-0.6 -35,-0.1 -0.574 19.7-164.5 -65.8 112.3 -28.8 35.1 39.2 52 60 A L + 0 0 39 -36,-1.5 2,-1.7 -2,-0.7 -1,-0.2 0.812 63.2 94.8 -73.6 -29.5 -30.1 31.9 37.8 53 61 A K - 0 0 102 -37,-1.0 -1,-0.1 -3,-0.1 -2,-0.1 -0.442 63.9-167.8 -65.7 87.5 -33.3 33.4 36.3 54 62 A K - 0 0 85 -2,-1.7 74,-0.1 1,-0.1 -2,-0.1 -0.547 32.6 -90.7 -76.8 148.0 -31.9 33.9 32.8 55 63 A P - 0 0 22 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.240 23.1-134.6 -60.8 142.6 -34.2 36.1 30.5 56 64 A E S S+ 0 0 173 1,-0.2 2,-0.3 -3,-0.1 172,-0.1 0.774 94.7 17.8 -69.1 -26.6 -36.9 34.4 28.5 57 65 A K S S- 0 0 84 170,-0.1 2,-0.7 78,-0.0 173,-0.5 -0.982 74.1-146.0-145.1 130.9 -35.9 36.5 25.4 58 66 A L E -lm 134 230C 0 75,-1.7 77,-2.3 -2,-0.3 2,-0.3 -0.880 17.6-139.3-104.7 112.9 -32.6 38.3 24.9 59 67 A G E -lm 135 231C 0 171,-2.2 173,-2.1 -2,-0.7 2,-0.4 -0.501 23.1-172.8 -69.9 130.5 -33.1 41.5 23.0 60 68 A I E -lm 136 232C 0 75,-2.2 77,-1.3 -2,-0.3 2,-0.5 -0.990 10.8-173.6-132.3 129.9 -30.3 42.1 20.5 61 69 A M E -lm 137 233C 0 171,-2.1 173,-1.6 -2,-0.4 77,-0.3 -0.963 9.8-162.6-126.8 115.3 -29.6 45.2 18.4 62 70 A L E > -lm 138 234C 0 75,-2.7 77,-3.0 -2,-0.5 2,-0.7 -0.691 16.0-144.9-100.1 148.9 -26.9 45.2 15.7 63 71 A I E 3 S+lm 139 235C 2 171,-1.8 173,-1.8 -2,-0.3 77,-0.2 -0.928 100.1 32.7-111.0 102.1 -25.2 48.2 14.0 64 72 A G T > S+ 0 0 6 75,-2.4 3,-2.2 -2,-0.7 6,-0.6 0.534 76.9 158.8 115.9 30.8 -24.5 46.9 10.5 65 73 A L T < S+ 0 0 0 74,-2.2 9,-0.2 -3,-0.6 75,-0.2 0.685 71.3 50.2 -56.6 -25.2 -27.7 44.8 10.6 66 74 A G T 3 S+ 0 0 2 73,-0.3 -1,-0.3 4,-0.1 74,-0.1 0.301 93.5 104.0 -99.4 8.0 -27.9 44.6 6.9 67 75 A G S <> S- 0 0 25 -3,-2.2 4,-1.9 169,-0.1 5,-0.3 -0.090 92.3 -88.5 -79.0-176.5 -24.2 43.5 6.6 68 76 A N H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.949 126.3 33.8 -58.2 -51.3 -22.9 40.1 5.8 69 77 A N H > S+ 0 0 28 167,-0.2 4,-3.7 2,-0.2 5,-0.2 0.929 114.2 56.4 -73.1 -47.5 -22.7 39.0 9.5 70 78 A G H > S+ 0 0 0 -6,-0.6 4,-2.0 166,-0.3 -1,-0.2 0.896 114.7 39.2 -51.8 -45.7 -25.8 40.9 10.8 71 79 A S H X S+ 0 0 0 -4,-1.9 4,-3.0 -7,-0.2 -1,-0.2 0.912 115.3 51.0 -72.3 -44.1 -28.0 39.2 8.2 72 80 A T H X S+ 0 0 2 -4,-1.9 4,-2.7 -5,-0.3 5,-0.2 0.899 108.6 55.9 -59.2 -38.5 -26.3 35.8 8.6 73 81 A L H X S+ 0 0 0 -4,-3.7 4,-1.6 1,-0.2 -2,-0.2 0.962 110.5 42.0 -56.8 -54.7 -26.8 36.2 12.3 74 82 A V H X S+ 0 0 9 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.884 113.0 55.4 -61.9 -38.3 -30.5 36.7 11.9 75 83 A A H X S+ 0 0 0 -4,-3.0 4,-3.6 1,-0.2 -2,-0.2 0.976 106.5 48.6 -56.1 -60.0 -30.7 33.9 9.4 76 84 A S H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.807 110.8 51.9 -50.9 -36.4 -29.1 31.3 11.7 77 85 A V H X S+ 0 0 8 -4,-1.6 4,-3.0 -5,-0.2 -1,-0.2 0.948 114.2 41.8 -67.8 -47.4 -31.4 32.2 14.5 78 86 A L H X S+ 0 0 31 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.925 116.9 49.6 -62.8 -47.4 -34.5 31.8 12.3 79 87 A A H <>S+ 0 0 0 -4,-3.6 5,-2.7 -5,-0.2 -2,-0.2 0.965 119.7 34.5 -56.7 -58.9 -33.1 28.7 10.7 80 88 A N H ><5S+ 0 0 14 -4,-2.9 3,-1.3 3,-0.2 -2,-0.2 0.865 114.2 57.6 -68.4 -38.2 -32.2 27.0 14.0 81 89 A K H 3<5S+ 0 0 85 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.916 119.9 30.0 -60.6 -40.9 -35.1 28.3 16.0 82 90 A H T 3<5S- 0 0 114 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 -0.044 105.9-122.2-108.6 31.1 -37.5 26.8 13.5 83 91 A N T < 5 - 0 0 116 -3,-1.3 2,-1.2 1,-0.2 -3,-0.2 0.820 41.0-177.2 30.7 59.1 -35.4 23.8 12.5 84 92 A V < - 0 0 29 -5,-2.7 -1,-0.2 -6,-0.2 9,-0.1 -0.672 8.4-161.6 -91.5 94.0 -35.5 24.8 8.8 85 93 A E - 0 0 83 -2,-1.2 2,-0.3 -3,-0.2 9,-0.2 -0.240 12.2-168.2 -62.1 163.1 -33.7 22.2 6.9 86 94 A F B -R 93 0D 0 7,-1.4 7,-2.8 5,-0.1 2,-0.3 -0.935 20.4 -96.1-149.4 168.3 -32.6 23.3 3.4 87 95 A Q + 0 0 88 -2,-0.3 72,-0.4 5,-0.2 73,-0.3 -0.723 35.0 173.4 -99.3 143.4 -31.2 21.7 0.2 88 96 A T > - 0 0 14 3,-0.4 3,-1.6 -2,-0.3 810,-0.0 -0.862 52.6-105.2-135.2 165.0 -27.6 21.5 -0.9 89 97 A K T 3 S+ 0 0 202 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.576 130.2 55.1 -67.8 -3.3 -25.9 19.7 -3.7 90 98 A E T 3 S- 0 0 123 1,-0.4 -1,-0.3 0, 0.0 2,-0.2 0.532 121.0-104.5-102.2 -14.0 -25.1 17.6 -0.7 91 99 A G < - 0 0 26 -3,-1.6 -3,-0.4 2,-0.0 2,-0.4 -0.635 64.5 -15.3 119.0-178.5 -28.6 17.0 0.3 92 100 A V - 0 0 75 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.464 66.9-163.3 -66.2 117.3 -31.0 18.1 3.0 93 101 A K B -R 86 0D 40 -7,-2.8 -7,-1.4 -2,-0.4 -2,-0.0 -0.703 11.2-131.2-101.3 154.8 -29.0 19.8 5.7 94 102 A Q - 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