==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-JUN-12 4AXD . COMPND 2 MOLECULE: INOSITOL-PENTAKISPHOSPHATE 2-KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.I BANOS-SANZ,J.SANZ-APARICIO,B.GONZALEZ . 433 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21083.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 278 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 12.9 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 20 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 1 0 1 1 1 3 0 1 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 3 4 0 0 1 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 . 0 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 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 M 0 0 244 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.1 2.5 8.1 -6.5 2 2 A E - 0 0 169 2,-0.0 2,-0.3 106,-0.0 106,-0.0 -0.380 360.0 -70.6-159.6 -74.8 -1.2 7.2 -6.2 3 3 A M - 0 0 73 -2,-0.1 106,-0.8 2,-0.0 2,-0.4 -0.982 17.8-134.5 179.9 159.6 -2.4 3.6 -6.2 4 4 A I E -a 109 0A 69 -2,-0.3 2,-0.5 104,-0.1 106,-0.2 -0.999 26.7-127.6-132.4 130.8 -3.1 0.3 -7.7 5 5 A L E -a 110 0A 2 104,-2.3 106,-2.6 -2,-0.4 109,-0.3 -0.682 39.4-173.5 -72.7 122.2 -6.2 -1.8 -7.3 6 6 A E >> - 0 0 85 -2,-0.5 3,-2.1 104,-0.2 4,-0.8 -0.617 42.8 -87.0-114.8 174.5 -5.1 -5.2 -6.2 7 7 A E G >4 S+ 0 0 122 1,-0.3 3,-0.9 -2,-0.2 4,-0.3 0.842 126.5 57.9 -48.2 -38.7 -6.8 -8.6 -5.6 8 8 A K G 34 S+ 0 0 149 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.717 101.1 56.4 -68.9 -22.4 -7.6 -7.4 -2.0 9 9 A D G X4 S+ 0 0 24 -3,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.655 82.3 85.6 -83.1 -17.1 -9.6 -4.4 -3.4 10 10 A A G X< S+ 0 0 2 -3,-0.9 3,-1.7 -4,-0.8 -1,-0.2 0.835 79.6 64.3 -53.6 -34.4 -11.9 -6.5 -5.5 11 11 A S G 3 S+ 0 0 88 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.685 92.8 63.8 -66.6 -17.2 -14.2 -7.1 -2.5 12 12 A D G < S+ 0 0 49 -3,-2.0 16,-3.5 -4,-0.1 17,-1.0 0.343 94.6 72.2 -84.5 2.8 -15.0 -3.3 -2.4 13 13 A W E < -B 27 0A 3 -3,-1.7 2,-0.4 14,-0.2 14,-0.2 -0.977 60.1-167.7-129.2 133.6 -16.7 -3.3 -5.9 14 14 A I E -B 26 0A 64 12,-2.7 12,-2.8 -2,-0.4 108,-0.1 -0.943 34.4 -92.4-124.6 144.5 -20.0 -4.7 -6.9 15 15 A Y E +B 25 0A 33 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.184 44.3 163.3 -49.4 132.3 -21.6 -5.4 -10.4 16 16 A R E - 0 0 54 8,-2.6 2,-0.3 1,-0.4 9,-0.2 0.642 55.3 -61.2-115.4 -48.1 -23.7 -2.4 -11.6 17 17 A G E -B 24 0A 20 7,-1.9 7,-3.1 2,-0.0 -1,-0.4 -0.974 41.5-143.9-179.8-171.4 -24.1 -3.1 -15.4 18 18 A E E -B 23 0A 24 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.979 4.5-167.2-167.3 158.2 -22.4 -3.5 -18.7 19 19 A G - 0 0 43 3,-1.9 -2,-0.0 -2,-0.3 5,-0.0 -0.630 57.3 -63.6-131.9-158.9 -22.7 -2.9 -22.4 20 20 A G S S+ 0 0 64 -2,-0.2 114,-0.1 1,-0.2 3,-0.1 0.714 129.6 25.4 -63.3 -26.5 -20.8 -4.2 -25.5 21 21 A A S S+ 0 0 34 1,-0.2 22,-2.9 21,-0.1 2,-0.3 0.710 117.8 40.1-110.3 -28.0 -17.4 -2.8 -24.6 22 22 A N E - C 0 42A 14 20,-0.3 -3,-1.9 114,-0.1 2,-0.4 -0.935 53.5-142.8-133.8 149.9 -17.3 -2.3 -20.8 23 23 A L E -BC 18 41A 0 18,-3.1 18,-2.9 -2,-0.3 2,-0.5 -0.894 25.1-155.6 -98.6 140.2 -18.2 -3.8 -17.4 24 24 A V E -BC 17 40A 33 -7,-3.1 -8,-2.6 -2,-0.4 -7,-1.9 -0.970 11.5-177.4-122.3 128.9 -19.2 -1.2 -14.7 25 25 A L E -BC 15 39A 0 14,-2.2 14,-2.6 -2,-0.5 2,-0.3 -0.970 18.1-135.9-123.9 141.0 -18.9 -1.8 -11.0 26 26 A A E -BC 14 38A 4 -12,-2.8 -12,-2.7 -2,-0.4 2,-0.2 -0.692 27.7-108.7 -93.6 147.3 -20.0 0.5 -8.1 27 27 A Y E +B 13 0A 27 10,-2.3 9,-0.3 -2,-0.3 -14,-0.2 -0.550 38.3 168.2 -72.3 138.3 -17.9 1.1 -5.1 28 28 A A + 0 0 62 -16,-3.5 -15,-0.2 -2,-0.2 -1,-0.1 0.256 45.9 96.8-134.8 2.7 -19.2 -0.5 -1.9 29 29 A G S S- 0 0 22 -17,-1.0 -20,-0.0 2,-0.1 -2,-0.0 0.093 79.7-108.6 -80.8-159.8 -16.2 -0.1 0.4 30 30 A S S S+ 0 0 107 5,-0.1 5,-0.1 4,-0.0 -1,-0.0 0.598 70.6 116.9-113.7 -17.9 -15.5 2.6 3.0 31 31 A S >> - 0 0 43 1,-0.1 3,-2.1 2,-0.1 4,-1.5 -0.380 58.3-143.2 -65.6 125.5 -12.8 4.8 1.6 32 32 A P T 34 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.683 98.9 69.3 -60.2 -18.3 -13.9 8.5 1.0 33 33 A L T 34 S+ 0 0 119 1,-0.2 -2,-0.1 4,-0.0 -3,-0.0 0.736 114.5 24.4 -65.0 -23.2 -11.7 8.4 -2.1 34 34 A F T X4 S+ 0 0 21 -3,-2.1 3,-2.1 3,-0.1 -7,-0.3 0.568 83.9 121.2-124.3 -15.6 -14.1 6.0 -3.8 35 35 A V T 3< S+ 0 0 48 -4,-1.5 119,-0.1 1,-0.3 120,-0.1 -0.332 88.3 16.0 -56.6 130.5 -17.6 6.4 -2.2 36 36 A G T 3 S+ 0 0 10 -9,-0.3 112,-2.6 1,-0.3 2,-0.3 0.659 105.5 113.9 75.7 18.1 -20.0 7.4 -4.9 37 37 A K E < - D 0 147A 56 -3,-2.1 -10,-2.3 110,-0.3 2,-0.3 -0.793 49.4-153.5-111.6 160.0 -17.7 6.3 -7.8 38 38 A V E -CD 26 146A 12 108,-3.2 108,-2.2 -2,-0.3 2,-0.4 -0.860 12.1-134.7-121.3 162.0 -17.9 3.5 -10.3 39 39 A I E -CD 25 145A 0 -14,-2.6 -14,-2.2 -2,-0.3 2,-0.5 -0.980 10.7-154.2-117.9 133.8 -15.2 1.7 -12.2 40 40 A R E -CD 24 144A 54 104,-3.3 104,-2.3 -2,-0.4 2,-0.4 -0.933 14.7-174.5-110.1 124.6 -15.3 1.1 -15.9 41 41 A I E -C 23 0A 5 -18,-2.9 -18,-3.1 -2,-0.5 2,-0.2 -0.977 24.1-119.5-127.1 127.1 -13.4 -1.9 -17.1 42 42 A Q E -C 22 0A 32 -2,-0.4 95,-2.8 -20,-0.2 -20,-0.3 -0.441 24.2-133.3 -71.6 133.4 -12.9 -3.0 -20.8 43 43 A K B -F 136 0B 16 -22,-2.9 2,-0.5 93,-0.3 93,-0.3 -0.468 23.5-109.9 -73.5 152.7 -14.2 -6.4 -21.9 44 44 A A - 0 0 42 91,-2.7 2,-0.4 -2,-0.1 91,-0.1 -0.724 40.5-174.5 -78.2 128.5 -12.0 -8.7 -24.0 45 45 A R + 0 0 88 -2,-0.5 2,-0.3 89,-0.1 3,-0.2 -0.825 23.3 156.3-134.3 109.1 -13.3 -9.0 -27.5 46 46 A R + 0 0 203 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.591 67.6 65.0 -91.9 176.8 -12.2 -11.1 -30.4 47 47 A N S S+ 0 0 169 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.457 78.7 108.4 81.7 2.8 -15.0 -11.7 -32.9 48 48 A D > - 0 0 27 -3,-0.2 3,-0.8 1,-0.1 4,-0.3 -0.875 45.7-177.7-116.7 99.1 -14.8 -7.9 -33.7 49 49 A K G > S+ 0 0 172 -2,-0.6 3,-1.1 1,-0.2 -1,-0.1 0.772 74.7 66.5 -66.2 -30.3 -13.3 -7.3 -37.1 50 50 A A G 3 S+ 0 0 9 1,-0.2 364,-0.5 364,-0.1 -1,-0.2 0.772 99.9 50.4 -67.2 -26.0 -13.4 -3.5 -37.0 51 51 A I G < S+ 0 0 25 -3,-0.8 8,-0.5 363,-0.1 2,-0.3 0.467 95.8 88.1 -92.9 -2.7 -10.8 -3.3 -34.1 52 52 A K < - 0 0 42 -3,-1.1 6,-0.2 -4,-0.3 2,-0.1 -0.671 69.1-138.4 -92.2 150.4 -8.3 -5.6 -35.8 53 53 A N > - 0 0 36 4,-1.6 3,-2.2 -2,-0.3 -1,-0.1 -0.330 44.2 -79.4 -91.0-176.4 -5.6 -4.3 -38.2 54 54 A S T 3 S+ 0 0 122 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.588 134.3 49.8 -60.1 -13.3 -4.5 -6.0 -41.5 55 55 A N T 3 S- 0 0 133 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.279 119.7-107.9-105.0 4.9 -2.4 -8.5 -39.4 56 56 A G S < S+ 0 0 46 -3,-2.2 2,-0.5 1,-0.3 -2,-0.1 0.651 75.1 138.6 73.1 15.8 -5.3 -9.4 -37.0 57 57 A V - 0 0 80 1,-0.0 -4,-1.6 0, 0.0 2,-1.4 -0.809 57.6-129.9 -93.9 131.1 -3.6 -7.4 -34.2 58 58 A V - 0 0 83 -2,-0.5 -6,-0.2 -6,-0.2 2,-0.2 -0.653 39.4-176.4 -80.7 91.3 -5.9 -5.3 -32.0 59 59 A S - 0 0 48 -2,-1.4 3,-0.2 -8,-0.5 21,-0.1 -0.525 38.9-116.3 -91.2 156.8 -4.0 -2.0 -32.1 60 60 A V S S- 0 0 37 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.957 101.0 -6.0 -55.5 -52.6 -4.8 1.2 -30.3 61 61 A L S S- 0 0 11 15,-0.1 -1,-0.3 17,-0.1 -8,-0.0 -0.994 76.5-123.5-140.7 140.6 -5.4 2.9 -33.6 62 62 A T > - 0 0 25 -2,-0.3 4,-2.5 -3,-0.2 5,-0.2 -0.330 34.7-105.9 -71.8 164.3 -4.8 1.6 -37.2 63 63 A S H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.897 124.6 52.6 -56.8 -41.1 -2.5 3.6 -39.5 64 64 A D H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 110.2 47.5 -62.3 -38.9 -5.6 4.8 -41.3 65 65 A E H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.889 107.6 55.1 -68.5 -40.6 -7.2 6.0 -38.0 66 66 A Q H < S+ 0 0 82 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.912 110.5 47.2 -59.7 -42.3 -3.9 7.7 -37.0 67 67 A H H >< S+ 0 0 83 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.908 112.4 48.9 -65.2 -43.2 -4.1 9.6 -40.2 68 68 A L H 3< S+ 0 0 0 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.888 117.9 39.0 -63.7 -41.6 -7.8 10.5 -39.8 69 69 A W T >< S+ 0 0 7 -4,-2.8 3,-1.7 1,-0.2 7,-0.4 0.235 78.3 123.2 -95.3 13.1 -7.4 11.7 -36.2 70 70 A R T < + 0 0 83 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.675 56.0 76.8 -48.1 -27.0 -4.1 13.5 -36.9 71 71 A E T 3 S+ 0 0 153 -3,-0.4 2,-0.8 1,-0.2 -1,-0.3 0.843 94.0 50.4 -59.3 -38.9 -5.4 16.9 -35.7 72 72 A N <> - 0 0 37 -3,-1.7 4,-1.9 1,-0.2 -1,-0.2 -0.868 67.6-176.4-101.4 99.6 -5.1 15.9 -32.1 73 73 A N H > S+ 0 0 113 -2,-0.8 4,-1.5 1,-0.2 -1,-0.2 0.875 84.0 59.3 -60.6 -39.2 -1.6 14.5 -31.7 74 74 A E H 4 S+ 0 0 96 2,-0.2 3,-0.4 1,-0.2 -1,-0.2 0.928 105.3 49.3 -49.3 -53.4 -2.3 13.7 -28.1 75 75 A L H >4 S+ 0 0 0 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.953 111.6 45.6 -56.0 -55.5 -5.2 11.4 -29.2 76 76 A I H 3< S+ 0 0 40 -4,-1.9 -1,-0.2 -7,-0.4 -2,-0.2 0.687 107.8 59.7 -68.9 -16.4 -3.2 9.4 -31.9 77 77 A S T 3< S+ 0 0 65 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.316 72.0 135.2 -88.6 3.8 -0.2 9.0 -29.4 78 78 A S < - 0 0 7 -3,-1.9 -17,-0.1 1,-0.2 -18,-0.1 -0.397 47.6-152.8 -57.9 123.6 -2.4 7.1 -26.9 79 79 A P S S+ 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.634 73.9 10.2 -74.5 -16.3 -0.3 4.1 -25.7 80 80 A N S > S- 0 0 35 -20,-0.1 4,-2.3 -21,-0.1 5,-0.1 -0.950 82.6 -97.3-154.6 174.7 -3.5 2.1 -24.9 81 81 A K H > S+ 0 0 42 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.803 116.7 56.4 -70.5 -32.7 -7.2 2.0 -25.3 82 82 A E H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 112.8 42.2 -63.0 -45.4 -8.0 3.5 -21.8 83 83 A V H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.918 113.2 54.4 -65.0 -45.0 -5.9 6.5 -22.6 84 84 A L H X S+ 0 0 5 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.927 111.1 43.7 -53.6 -51.2 -7.3 6.7 -26.1 85 85 A E H X S+ 0 0 40 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.890 114.1 50.5 -68.7 -39.0 -10.9 6.8 -24.9 86 86 A Q H X S+ 0 0 45 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.913 113.1 45.3 -62.0 -43.8 -10.1 9.3 -22.1 87 87 A R H X S+ 0 0 69 -4,-2.9 4,-3.0 2,-0.2 5,-0.4 0.826 109.4 55.7 -72.5 -30.1 -8.4 11.7 -24.6 88 88 A Y H X>S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 5,-1.9 0.938 112.6 42.7 -63.9 -46.5 -11.1 11.3 -27.1 89 89 A V H <>S+ 0 0 17 -4,-2.0 5,-2.6 3,-0.2 -2,-0.2 0.961 120.8 41.5 -62.4 -51.9 -13.7 12.4 -24.5 90 90 A Q H <5S+ 0 0 96 -4,-2.7 -2,-0.2 3,-0.2 -3,-0.2 0.902 127.2 28.8 -63.3 -43.8 -11.4 15.2 -23.1 91 91 A N H <5S+ 0 0 46 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.649 133.4 23.0 -99.4 -21.6 -10.1 16.6 -26.4 92 92 A V T <5S+ 0 0 21 -4,-2.0 4,-0.3 -5,-0.4 -3,-0.2 0.774 127.2 34.3-111.3 -46.6 -12.8 15.9 -29.0 93 93 A I T >> S+ 0 0 103 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.728 112.0 72.1 -74.6 -24.3 -17.4 20.0 -19.3 100 100 A K T 3 S+ 0 0 125 1,-0.2 -2,-0.1 -6,-0.1 303,-0.1 0.852 109.5 29.8 -61.8 -37.5 -20.5 20.5 -17.1 101 101 A H T 3 S+ 0 0 16 -3,-0.4 304,-3.0 -4,-0.3 2,-0.4 0.265 112.0 72.0-108.1 9.2 -22.3 17.4 -18.5 102 102 A V B < -g 405 0C 10 -3,-0.8 2,-0.6 302,-0.2 304,-0.1 -0.979 54.3-169.6-134.1 119.2 -19.3 15.2 -19.4 103 103 A D - 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