==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAR-08 3CH4 . COMPND 2 MOLECULE: PHOSPHOMEVALONATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.-C.LIANG,Q.CHANG,X.-X.YAN,S.-Y.GU . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 13 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 0 1 0 0 0 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 B G 0 0 118 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -90.2 25.7 -3.6 -5.9 2 0 B S - 0 0 98 1,-0.2 115,-0.0 0, 0.0 0, 0.0 -0.848 360.0-164.6 -90.1 98.9 27.9 -0.8 -4.5 3 1 B M + 0 0 54 -2,-1.2 -1,-0.2 1,-0.2 86,-0.1 0.831 68.9 13.1 -59.4 -43.7 25.5 -0.3 -1.5 4 2 B A > + 0 0 22 113,-0.1 3,-1.4 -3,-0.1 -1,-0.2 -0.610 62.6 171.2-139.7 78.4 26.5 3.1 -0.1 5 3 B P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.787 82.5 44.8 -57.5 -32.2 28.8 5.0 -2.5 6 4 B L T 3 S+ 0 0 120 83,-0.2 88,-2.1 87,-0.0 89,-0.3 0.439 91.3 109.4 -94.2 0.5 28.6 8.3 -0.5 7 5 B G B < -A 93 0A 21 -3,-1.4 86,-0.2 86,-0.2 -3,-0.1 -0.495 58.4-142.3 -81.8 145.9 29.2 6.7 2.9 8 6 B G - 0 0 35 84,-0.8 88,-0.1 87,-0.3 -1,-0.1 0.114 31.5 -99.7 -81.0-155.8 32.3 7.0 5.0 9 7 B A - 0 0 97 86,-0.1 87,-0.0 87,-0.1 109,-0.0 -0.730 40.2-163.4-138.1 89.2 33.6 4.1 7.0 10 8 B P - 0 0 13 0, 0.0 89,-0.2 0, 0.0 3,-0.2 -0.106 24.7-134.8 -63.4 160.3 32.7 4.3 10.7 11 9 B R S S+ 0 0 128 87,-2.6 2,-0.3 1,-0.3 88,-0.2 0.662 93.6 12.8 -90.6 -20.3 34.4 2.4 13.5 12 10 B L E -b 99 0B 2 86,-1.7 88,-2.7 2,-0.0 2,-0.5 -0.950 59.6-165.2-159.1 133.8 30.9 1.6 14.9 13 11 B V E -bc 100 122B 0 108,-3.0 110,-2.6 -2,-0.3 2,-0.6 -0.968 11.7-161.7-124.4 112.9 27.3 1.9 13.6 14 12 B L E -bc 101 123B 0 86,-3.2 88,-2.7 -2,-0.5 2,-0.8 -0.858 4.0-157.1 -97.6 120.3 24.6 1.6 16.3 15 13 B L E -bc 102 124B 1 108,-2.9 110,-2.7 -2,-0.6 2,-0.2 -0.846 15.2-168.6-101.4 102.2 21.2 0.8 14.9 16 14 B F E + c 0 125B 0 86,-3.1 89,-2.3 -2,-0.8 2,-0.3 -0.588 13.4 162.1 -91.2 150.5 18.5 1.9 17.4 17 15 B S E + c 0 126B 0 108,-1.3 110,-2.6 -2,-0.2 2,-0.2 -0.962 3.8 145.5-157.8 160.2 14.9 1.0 17.3 18 16 B G E - c 0 127B 11 87,-0.4 110,-0.1 -2,-0.3 3,-0.1 -0.739 46.6 -89.3 166.3 145.5 12.0 1.1 19.8 19 17 B K > - 0 0 48 108,-0.5 3,-0.7 -2,-0.2 5,-0.3 -0.274 61.2 -80.8 -65.7 156.2 8.3 1.7 20.1 20 18 B R T 3 S+ 0 0 68 1,-0.2 -1,-0.1 2,-0.1 119,-0.0 -0.098 111.1 21.6 -57.6 154.9 7.1 5.3 20.8 21 19 B K T 3 S+ 0 0 61 1,-0.1 -1,-0.2 -3,-0.1 116,-0.2 0.780 90.0 112.3 56.5 34.1 7.1 6.7 24.3 22 20 B S S < S- 0 0 4 -3,-0.7 144,-0.2 -4,-0.1 146,-0.1 0.440 92.5-100.2-112.7 -3.3 9.7 4.2 25.5 23 21 B G S > S+ 0 0 8 -4,-0.1 4,-2.0 104,-0.1 5,-0.1 0.620 77.2 135.3 95.2 14.3 12.6 6.5 26.1 24 22 B K H > S+ 0 0 26 -5,-0.3 4,-2.6 1,-0.2 5,-0.2 0.916 74.6 48.1 -62.1 -44.6 14.5 5.9 22.8 25 23 B D H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.857 108.0 56.4 -64.0 -35.5 15.2 9.6 22.2 26 24 B F H > S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.935 111.0 44.8 -60.3 -44.9 16.4 10.0 25.8 27 25 B V H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.949 114.4 45.5 -65.4 -51.3 18.9 7.2 25.1 28 26 B T H X S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.897 114.4 47.7 -63.6 -39.9 20.2 8.4 21.8 29 27 B E H X S+ 0 0 132 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.856 109.9 53.3 -70.4 -31.9 20.6 12.1 22.8 30 28 B A H X S+ 0 0 15 -4,-1.6 4,-2.4 -5,-0.3 -1,-0.2 0.916 109.3 49.7 -66.5 -42.0 22.4 11.1 26.0 31 29 B L H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.929 112.0 46.0 -63.2 -46.9 24.9 9.0 24.0 32 30 B Q H X S+ 0 0 58 -4,-2.1 4,-3.1 1,-0.2 8,-0.2 0.907 112.0 53.3 -64.1 -39.3 25.6 11.8 21.6 33 31 B S H < S+ 0 0 90 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.942 111.5 44.1 -58.7 -50.5 25.9 14.3 24.4 34 32 B R H < S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.842 120.9 40.1 -64.4 -36.9 28.5 12.2 26.3 35 33 B L H < S- 0 0 20 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.828 109.9-120.2 -84.0 -34.7 30.5 11.4 23.2 36 34 B G >X - 0 0 23 -4,-3.1 4,-3.1 -5,-0.2 3,-1.3 0.135 20.5 -94.4 101.8 140.7 30.4 14.8 21.5 37 35 B A T 34 S+ 0 0 65 1,-0.3 -1,-0.1 2,-0.2 60,-0.1 0.763 124.2 55.2 -59.2 -28.3 29.0 15.7 18.1 38 36 B D T 34 S+ 0 0 125 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.688 116.3 36.8 -79.6 -18.4 32.5 15.3 16.4 39 37 B V T <4 S+ 0 0 35 -3,-1.3 60,-2.0 1,-0.3 2,-0.4 0.830 123.8 37.0 -96.5 -43.2 32.8 11.8 17.7 40 38 B C E < -d 99 0B 0 -4,-3.1 2,-0.4 -8,-0.2 -1,-0.3 -0.935 63.2-165.5-120.2 133.0 29.2 10.7 17.4 41 39 B A E -d 100 0B 6 58,-2.5 60,-3.2 -2,-0.4 2,-0.6 -0.921 13.4-143.8-114.6 138.8 26.6 11.5 14.7 42 40 B V E -d 101 0B 21 -2,-0.4 2,-0.4 58,-0.2 60,-0.2 -0.917 18.7-166.3-104.7 120.7 22.9 10.8 15.0 43 41 B L E -d 102 0B 11 58,-2.5 60,-2.0 -2,-0.6 61,-0.6 -0.899 3.5-160.8-110.5 134.5 21.3 9.7 11.7 44 42 B R > - 0 0 134 -2,-0.4 3,-1.9 58,-0.2 58,-0.1 -0.957 16.3-158.7-121.3 118.9 17.6 9.7 11.1 45 43 B L T 3> S+ 0 0 12 -2,-0.5 4,-1.3 1,-0.3 -1,-0.1 0.751 95.2 68.3 -61.2 -23.5 15.9 7.7 8.3 46 44 B S H 3> S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.728 88.1 67.9 -69.1 -21.3 13.0 10.0 8.7 47 45 B G H <> S+ 0 0 34 -3,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.988 105.3 35.9 -62.9 -61.2 15.1 12.8 7.3 48 46 B P H > S+ 0 0 9 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.792 112.5 62.7 -63.5 -27.9 15.4 11.5 3.8 49 47 B L H X S+ 0 0 25 -4,-1.3 4,-2.0 2,-0.2 5,-0.2 0.962 110.9 37.4 -60.2 -50.7 11.9 10.2 4.0 50 48 B K H X S+ 0 0 93 -4,-2.1 4,-1.9 2,-0.2 5,-0.3 0.941 119.7 47.5 -65.6 -49.7 10.6 13.8 4.4 51 49 B E H X S+ 0 0 65 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.929 117.5 40.4 -59.4 -49.9 13.1 15.4 2.0 52 50 B Q H X S+ 0 0 25 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.878 115.0 52.0 -69.4 -38.8 12.6 12.9 -0.8 53 51 B Y H < S+ 0 0 32 -4,-2.0 4,-0.3 -5,-0.4 3,-0.2 0.998 112.6 42.4 -58.3 -69.2 8.8 12.6 -0.4 54 52 B A H >< S+ 0 0 23 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.843 115.5 55.0 -46.4 -37.4 8.2 16.3 -0.5 55 53 B Q H >X S+ 0 0 108 -4,-1.6 3,-2.0 -5,-0.3 4,-0.7 0.948 103.2 50.0 -64.3 -53.8 10.7 16.5 -3.4 56 54 B E T 3< S+ 0 0 100 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.345 112.7 54.4 -68.8 10.4 9.1 13.9 -5.7 57 55 B H T <4 S- 0 0 100 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.143 135.8 -73.5-127.8 16.0 5.9 15.8 -5.1 58 56 B G T <4 S+ 0 0 75 -3,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.833 83.4 163.2 85.3 87.0 7.0 19.3 -6.1 59 57 B L < - 0 0 49 -4,-0.7 2,-0.2 -7,-0.0 -4,-0.1 -0.255 47.8-152.0-121.0-155.7 9.2 20.4 -3.2 60 58 B N - 0 0 123 1,-0.3 -6,-0.0 -9,-0.2 -5,-0.0 -0.532 62.0 -44.9 174.4 114.1 11.7 22.4 -1.5 61 59 B F 0 0 140 -2,-0.2 -1,-0.3 -7,-0.0 -6,-0.2 0.219 360.0 360.0 68.3-166.3 13.8 20.8 1.3 62 60 B Q 0 0 126 -8,-0.1 -11,-0.1 -10,-0.0 -15,-0.0 -0.215 360.0 360.0 -49.3 360.0 13.8 18.6 4.4 63 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 64 68 B Y 0 0 265 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.0 -5.3 17.5 9.3 65 69 B K + 0 0 184 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.475 360.0 56.2 87.4 3.9 -1.6 18.1 8.6 66 70 B E S S+ 0 0 130 2,-0.1 4,-0.0 3,-0.0 0, 0.0 -0.101 81.6 75.2-157.8 34.4 -0.5 14.7 9.9 67 71 B A S > S+ 0 0 48 2,-0.1 4,-1.2 3,-0.1 5,-0.0 0.230 92.6 65.9-117.4 -13.0 -2.6 12.3 7.9 68 72 B F H > S+ 0 0 122 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.763 88.1 63.3 -74.4 -32.7 0.1 13.4 5.5 69 73 B R H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 103.5 48.1 -58.2 -41.2 2.4 11.6 7.8 70 74 B K H > S+ 0 0 77 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.865 107.6 54.8 -67.6 -37.9 0.6 8.5 6.8 71 75 B D H X S+ 0 0 52 -4,-1.2 4,-2.7 1,-0.2 -2,-0.2 0.950 109.8 47.1 -59.5 -49.2 0.9 9.5 3.1 72 76 B M H X S+ 0 0 35 -4,-2.9 4,-3.3 2,-0.2 -2,-0.2 0.895 111.3 51.1 -59.8 -41.8 4.7 9.8 3.6 73 77 B I H X S+ 0 0 29 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.941 112.0 45.9 -62.7 -46.8 4.8 6.4 5.3 74 78 B R H X S+ 0 0 132 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.901 115.5 47.4 -61.7 -41.4 2.8 4.7 2.5 75 79 B W H X S+ 0 0 31 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.926 112.3 49.3 -65.0 -45.9 5.0 6.4 -0.0 76 80 B G H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.839 107.4 54.6 -63.5 -35.0 8.2 5.4 1.8 77 81 B E H X S+ 0 0 38 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.889 105.9 52.1 -67.1 -37.3 7.1 1.8 2.1 78 82 B E H X S+ 0 0 149 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.912 113.5 44.1 -65.0 -41.0 6.6 1.6 -1.6 79 83 B K H >X S+ 0 0 58 -4,-1.8 4,-1.8 1,-0.2 3,-0.5 0.944 114.5 49.8 -67.0 -47.0 10.1 2.9 -2.2 80 84 B R H 3< S+ 0 0 25 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.816 103.0 59.5 -62.6 -35.9 11.6 0.6 0.5 81 85 B Q H 3< S+ 0 0 154 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.836 116.5 32.9 -64.3 -33.0 9.9 -2.6 -0.7 82 86 B A H << S+ 0 0 93 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.694 136.1 25.3 -94.5 -21.9 11.7 -2.3 -4.1 83 87 B D >< - 0 0 51 -4,-1.8 3,-2.5 -5,-0.1 4,-0.3 -0.676 65.2-173.5-146.7 82.6 14.9 -0.7 -2.7 84 88 B P T 3 S+ 0 0 56 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.764 88.2 48.0 -47.6 -34.5 15.5 -1.5 1.0 85 89 B G T 3> S+ 0 0 1 1,-0.2 4,-2.9 2,-0.1 5,-0.3 0.363 75.4 111.4 -93.7 7.4 18.5 0.9 1.1 86 90 B F T <4 S+ 0 0 21 -3,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.859 93.7 24.6 -47.5 -45.1 16.7 3.9 -0.5 87 91 B F T > S+ 0 0 3 -3,-0.4 4,-1.3 -4,-0.3 3,-0.4 0.808 117.5 61.9 -92.0 -32.0 16.7 5.9 2.7 88 92 B C H >> S+ 0 0 1 -4,-0.4 4,-1.3 1,-0.2 3,-0.5 0.916 100.7 54.2 -59.0 -44.9 19.7 4.2 4.3 89 93 B R H 3< S+ 0 0 67 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.802 107.4 53.0 -58.3 -32.4 22.0 5.3 1.5 90 94 B K H 34 S+ 0 0 47 -3,-0.4 3,-0.3 -4,-0.4 -1,-0.2 0.788 105.2 50.6 -78.1 -29.2 20.9 8.9 2.1 91 95 B I H << S+ 0 0 13 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.756 108.3 52.2 -81.7 -22.8 21.6 9.2 5.9 92 96 B V S >< S+ 0 0 0 -4,-1.3 3,-1.2 -49,-0.1 -84,-0.8 0.525 80.7 118.5 -89.5 -5.2 25.1 7.8 5.7 93 97 B E B 3 S-A 7 0A 99 -4,-0.3 -86,-0.2 -3,-0.3 3,-0.1 -0.420 87.2 -5.5 -67.8 127.0 26.3 10.3 3.0 94 98 B G T 3 S+ 0 0 63 -88,-2.1 2,-0.8 -2,-0.2 -1,-0.3 0.773 86.2 147.2 63.8 28.7 29.1 12.6 4.1 95 99 B I < + 0 0 32 -3,-1.2 -87,-0.3 -89,-0.3 -1,-0.2 -0.860 17.9 173.9 -99.4 109.2 29.2 11.4 7.7 96 100 B S + 0 0 113 -2,-0.8 -1,-0.1 -3,-0.1 -87,-0.1 0.512 40.2 111.2 -93.0 -6.0 32.8 11.7 8.8 97 101 B Q - 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