==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-JUL-01 1JKF . COMPND 2 MOLECULE: MYO-INOSITOL-1-PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.J.STEIN,J.H.GEIGER . 931 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 99 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 5 1 2 2 2 0 3 1 1 0 3 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 1 5 0 2 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 PARALLEL BRIDGES PER LADDER . 6 3 4 3 1 5 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 2 2 1 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 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 11 A S 0 0 87 0, 0.0 503,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 158.3 -27.6 19.5 32.9 2 12 A V E -a 504 0A 14 120,-0.7 2,-0.4 121,-0.4 503,-0.2 -0.994 360.0-175.0-140.3 144.3 -24.9 18.9 35.5 3 13 A K E -a 505 0A 97 501,-2.0 503,-1.4 -2,-0.3 2,-0.5 -0.994 13.4-146.5-142.5 135.8 -25.0 19.1 39.3 4 14 A V E -a 506 0A 15 -2,-0.4 2,-1.8 501,-0.2 503,-0.2 -0.888 15.7-132.5-113.6 130.2 -22.1 18.7 41.7 5 15 A V + 0 0 100 501,-2.0 2,-0.3 -2,-0.5 448,-0.0 -0.541 60.6 132.5 -74.1 85.4 -22.0 17.2 45.2 6 16 A T > - 0 0 26 -2,-1.8 3,-0.5 3,-0.2 -2,-0.1 -0.981 57.3-142.6-140.4 152.6 -20.1 20.1 46.9 7 17 A D T 3 S+ 0 0 141 -2,-0.3 446,-0.1 1,-0.2 -2,-0.0 0.472 90.4 76.0 -91.8 -5.3 -20.3 22.2 50.0 8 18 A K T 3 S+ 0 0 63 445,-0.1 11,-1.9 1,-0.1 2,-0.4 0.450 89.6 66.6 -85.6 0.0 -19.2 25.5 48.5 9 19 A C E < +D 18 0B 19 -3,-0.5 2,-0.4 9,-0.2 9,-0.2 -0.974 54.0 176.3-131.8 127.5 -22.5 26.1 46.7 10 20 A T E -D 17 0B 91 7,-1.7 7,-1.6 -2,-0.4 2,-0.7 -0.985 25.4-134.3-128.8 130.5 -25.9 26.8 48.0 11 21 A Y E +D 16 0B 125 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.744 31.5 170.9 -86.0 114.5 -29.1 27.6 46.0 12 22 A K - 0 0 121 3,-3.5 2,-1.8 -2,-0.7 -1,-0.1 0.505 65.0 -19.9 -88.6-125.7 -31.0 30.6 47.5 13 23 A D S S- 0 0 137 1,-0.3 -1,-0.1 3,-0.0 37,-0.1 -0.546 126.6 -50.5 -87.3 71.5 -33.9 32.2 45.8 14 24 A N S S+ 0 0 90 -2,-1.8 36,-1.1 1,-0.2 37,-0.3 0.988 120.2 116.3 54.2 57.7 -33.1 30.9 42.4 15 25 A E E - E 0 49B 38 34,-0.2 -3,-3.5 35,-0.1 2,-0.4 -0.895 60.9-139.0-158.4 125.1 -29.5 32.2 43.0 16 26 A L E -DE 11 48B 2 32,-2.0 32,-2.5 -2,-0.3 2,-0.6 -0.730 14.4-162.4 -89.1 131.4 -26.3 30.2 43.3 17 27 A L E -DE 10 47B 20 -7,-1.6 -7,-1.7 -2,-0.4 2,-0.4 -0.977 13.6-172.9-116.0 118.1 -24.0 31.4 46.0 18 28 A T E -DE 9 46B 2 28,-3.0 28,-3.5 -2,-0.6 2,-0.6 -0.941 19.3-150.9-121.7 133.7 -20.4 30.2 45.5 19 29 A K E - E 0 45B 138 -11,-1.9 2,-0.4 -2,-0.4 26,-0.3 -0.859 23.1-178.2 -96.6 126.3 -17.4 30.4 47.7 20 30 A Y E - E 0 44B 33 24,-3.6 24,-2.4 -2,-0.6 2,-0.8 -0.989 24.4-143.2-130.0 133.7 -14.2 30.5 45.7 21 31 A S E - E 0 43B 54 -2,-0.4 2,-1.4 22,-0.2 22,-0.2 -0.819 18.8-152.1 -93.5 107.4 -10.6 30.6 47.0 22 32 A Y - 0 0 5 20,-1.8 2,-0.2 -2,-0.8 -1,-0.0 -0.570 15.8-171.9 -85.7 83.2 -8.7 32.7 44.4 23 33 A E + 0 0 69 -2,-1.4 18,-0.2 18,-0.2 2,-0.2 -0.476 21.8 133.7 -75.2 139.6 -5.0 31.5 44.5 24 34 A N E -H 40 0C 20 16,-1.4 16,-1.8 -2,-0.2 2,-0.3 -0.738 37.8-121.9-157.9-157.3 -2.4 33.5 42.6 25 35 A A E -H 39 0C 0 14,-0.3 553,-2.6 -2,-0.2 2,-0.4 -0.874 0.4-144.2-171.0 136.3 1.1 34.8 43.2 26 36 A V E -Hi 38 578C 57 12,-3.4 12,-4.6 -2,-0.3 2,-0.4 -0.834 24.2-170.9-101.1 137.7 3.2 38.0 43.2 27 37 A V E -H 37 0C 3 551,-2.6 2,-0.3 -2,-0.4 10,-0.2 -0.987 11.3-168.1-136.3 135.9 6.8 37.8 42.0 28 38 A T E -H 36 0C 80 8,-2.1 8,-3.0 -2,-0.4 2,-0.6 -0.827 19.0-135.2-114.5 156.7 9.7 40.2 42.0 29 39 A K E -H 35 0C 142 -2,-0.3 6,-0.2 6,-0.2 5,-0.2 -0.953 22.4-130.2-118.0 118.4 12.9 39.8 40.1 30 40 A T > - 0 0 51 4,-3.3 2,-3.6 -2,-0.6 3,-0.9 -0.363 25.4-107.5 -70.3 139.6 16.1 40.5 42.0 31 41 A A T 3 S+ 0 0 112 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.358 121.0 45.0 -63.6 73.4 18.9 42.8 40.6 32 42 A S T 3 S- 0 0 117 -2,-3.6 -1,-0.3 2,-0.1 -3,-0.0 -0.172 126.6 -86.7-177.7 -58.5 20.9 39.7 40.0 33 43 A G S < S+ 0 0 13 -3,-0.9 -3,-0.1 1,-0.3 -2,-0.1 -0.129 79.5 121.8 169.2 -60.9 18.4 37.3 38.5 34 44 A R - 0 0 103 -5,-0.2 -4,-3.3 1,-0.1 2,-0.5 0.234 50.3-137.6 -33.9 140.7 16.4 35.3 41.1 35 45 A F E -Hj 29 471C 12 435,-2.4 437,-2.2 -6,-0.2 2,-0.7 -0.915 8.2-153.3-106.4 129.8 12.6 35.5 41.1 36 46 A D E -Hj 28 472C 38 -8,-3.0 -8,-2.1 -2,-0.5 2,-0.7 -0.927 11.3-161.7-106.4 112.8 10.9 35.8 44.5 37 47 A V E -Hj 27 473C 0 435,-1.4 437,-1.9 -2,-0.7 -10,-0.3 -0.844 6.8-171.5-100.7 109.4 7.4 34.3 44.2 38 48 A T E -H 26 0C 70 -12,-4.6 -12,-3.4 -2,-0.7 437,-0.1 -0.855 21.5-138.6-100.4 105.4 5.1 35.4 47.0 39 49 A P E -H 25 0C 33 0, 0.0 -14,-0.3 0, 0.0 2,-0.3 0.098 20.3-154.8 -52.7 175.9 1.9 33.3 46.7 40 50 A T E -H 24 0C 42 -16,-1.8 -16,-1.4 -15,-0.1 2,-0.3 -0.965 14.3-172.7-153.9 161.1 -1.5 34.9 47.2 41 51 A V + 0 0 87 -2,-0.3 -18,-0.2 -18,-0.2 2,-0.2 -0.969 9.3 167.6-153.3 161.7 -5.1 34.2 48.2 42 52 A Q - 0 0 55 -2,-0.3 -20,-1.8 2,-0.0 357,-0.1 -0.541 25.7-140.3 179.6 103.7 -8.5 36.0 48.4 43 53 A D E -EF 21 398B 59 355,-0.6 355,-1.9 -22,-0.2 2,-0.3 -0.409 20.5-168.0 -75.4 153.3 -11.7 34.2 48.9 44 54 A Y E -EF 20 397B 13 -24,-2.4 -24,-3.6 353,-0.2 2,-0.6 -0.990 21.7-146.6-141.3 148.8 -14.9 35.2 47.1 45 55 A V E -EF 19 396B 19 351,-2.7 351,-0.6 -2,-0.3 2,-0.3 -0.971 24.9-160.5-116.5 113.2 -18.6 34.6 47.2 46 56 A F E -EF 18 395B 1 -28,-3.5 -28,-3.0 -2,-0.6 2,-0.5 -0.732 3.3-155.4 -94.1 142.8 -20.0 34.6 43.7 47 57 A K E -EF 17 394B 47 347,-3.7 347,-1.5 -2,-0.3 2,-0.6 -0.973 6.1-167.4-122.9 122.0 -23.7 35.1 43.1 48 58 A L E -EF 16 393B 1 -32,-2.5 -32,-2.0 -2,-0.5 2,-0.8 -0.933 21.4-135.6-113.2 116.5 -25.2 33.8 39.9 49 59 A D E -E 15 0B 47 343,-2.9 -34,-0.2 -2,-0.6 -35,-0.1 -0.568 20.8-157.7 -65.2 108.6 -28.7 35.0 39.0 50 60 A L + 0 0 32 -36,-1.1 2,-0.7 -2,-0.8 -1,-0.2 0.392 62.3 88.7 -75.2 3.4 -30.0 31.6 38.0 51 61 A K - 0 0 132 -37,-0.3 -1,-0.1 341,-0.1 3,-0.1 -0.842 62.0-156.2-113.6 107.8 -32.9 32.8 35.8 52 62 A K - 0 0 95 -2,-0.7 74,-0.1 1,-0.1 -2,-0.0 -0.549 32.7-102.3 -75.2 131.6 -32.1 33.4 32.1 53 63 A P - 0 0 26 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.146 22.8-134.1 -49.4 149.1 -34.4 35.9 30.3 54 64 A E S S+ 0 0 171 1,-0.3 2,-0.4 73,-0.1 74,-0.1 0.824 94.3 22.4 -77.7 -28.5 -36.9 34.0 28.1 55 65 A K S S- 0 0 80 170,-0.1 2,-0.5 72,-0.0 172,-0.3 -0.917 73.4-157.1-144.3 112.6 -36.2 36.4 25.3 56 66 A L E -k 132 0D 0 75,-1.6 77,-2.9 -2,-0.4 2,-0.4 -0.781 15.0-138.6 -92.9 122.4 -33.0 38.4 24.9 57 67 A G E -kl 133 229D 0 171,-2.0 173,-2.0 -2,-0.5 2,-0.4 -0.660 19.9-169.8 -84.4 128.1 -33.2 41.6 22.8 58 68 A I E -kl 134 230D 0 75,-2.8 77,-1.3 -2,-0.4 2,-0.5 -0.957 9.0-164.9-119.7 132.6 -30.2 42.2 20.5 59 69 A M E -kl 135 231D 0 171,-2.5 173,-1.8 -2,-0.4 2,-0.4 -0.866 8.6-164.6-122.7 99.6 -29.5 45.4 18.5 60 70 A L E > -kl 136 232D 0 75,-2.1 77,-2.2 -2,-0.5 3,-0.8 -0.656 11.4-150.1 -84.7 128.2 -26.9 45.1 15.7 61 71 A I E 3 S+kl 137 233D 2 171,-2.4 173,-2.6 -2,-0.4 77,-0.2 -0.883 96.4 31.3 -93.0 121.4 -25.4 48.2 14.2 62 72 A G T > S+ 0 0 6 75,-2.1 3,-1.8 -2,-0.6 6,-0.5 0.735 77.0 159.7 95.4 30.4 -24.7 47.2 10.6 63 73 A L T < + 0 0 0 74,-3.4 75,-0.2 -3,-0.8 9,-0.1 0.605 68.0 58.8 -61.7 -12.8 -27.7 44.9 10.7 64 74 A G T 3 S+ 0 0 0 73,-0.4 -1,-0.3 4,-0.1 74,-0.1 0.557 87.2 98.0 -97.0 -7.2 -27.7 44.9 7.0 65 75 A G S <> S- 0 0 19 -3,-1.8 4,-2.2 169,-0.2 5,-0.3 0.060 93.5 -90.2 -70.5-177.8 -24.2 43.6 6.5 66 76 A N H > S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.915 126.3 41.3 -62.5 -43.8 -23.1 40.1 5.7 67 77 A N H > S+ 0 0 31 167,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.908 114.6 50.1 -70.7 -46.5 -22.7 39.1 9.4 68 78 A G H > S+ 0 0 0 -6,-0.5 4,-2.0 166,-0.3 5,-0.2 0.938 113.3 45.1 -60.2 -48.4 -25.9 40.9 10.6 69 79 A S H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.926 114.4 47.4 -65.7 -43.0 -28.1 39.4 8.0 70 80 A T H X S+ 0 0 0 -4,-1.7 4,-1.3 -5,-0.3 -1,-0.2 0.740 107.2 59.2 -73.2 -14.6 -26.7 35.9 8.4 71 81 A L H >X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 3,-0.6 0.978 107.2 44.5 -71.2 -55.2 -27.0 36.2 12.2 72 82 A V H 3X S+ 0 0 8 -4,-2.0 4,-2.7 1,-0.3 3,-0.3 0.909 114.1 51.6 -52.2 -46.5 -30.8 36.8 12.0 73 83 A A H 3X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.798 105.7 54.6 -62.5 -30.8 -31.0 33.9 9.5 74 84 A S H < S+ 0 0 18 -4,-1.5 3,-0.7 2,-0.2 -2,-0.2 0.879 117.4 50.7 -76.4 -42.4 -32.4 27.0 14.2 79 89 A K H 3< S+ 0 0 83 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.934 119.2 36.4 -62.6 -46.9 -35.5 28.2 16.1 80 90 A H T 3< S- 0 0 109 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.262 103.2-126.7 -93.1 11.8 -37.9 27.2 13.3 81 91 A N < + 0 0 117 -3,-0.7 2,-1.4 1,-0.2 -3,-0.2 0.569 41.9 175.3 55.8 11.3 -36.1 24.1 12.3 82 92 A V - 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