==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JUL-10 2XK6 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAS-DROUX,R.BAYLISS . 243 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 1 0 0 0 0 2 1 0 0 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A R > 0 0 75 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 162.5 34.4 -8.0 -9.0 2 5 A A G > + 0 0 23 1,-0.3 3,-2.1 66,-0.2 67,-0.1 0.848 360.0 65.9 -56.6 -36.7 36.1 -4.9 -10.4 3 6 A E G 3 S+ 0 0 71 1,-0.3 -1,-0.3 3,-0.1 18,-0.0 0.664 85.9 72.9 -60.4 -17.6 38.7 -7.2 -12.0 4 7 A D G < S+ 0 0 88 -3,-2.0 17,-2.4 16,-0.1 18,-0.4 0.587 98.7 54.1 -73.5 -10.2 35.9 -8.5 -14.2 5 8 A Y E < -A 20 0A 27 -3,-2.1 2,-0.5 15,-0.2 15,-0.2 -0.884 69.6-143.3-125.7 156.0 35.9 -5.2 -16.2 6 9 A E E -A 19 0A 103 13,-2.2 13,-2.2 -2,-0.3 2,-0.3 -0.970 22.1-130.9-118.4 119.1 38.4 -3.1 -18.0 7 10 A V E -A 18 0A 58 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.512 21.6-176.4 -65.1 124.9 38.1 0.7 -17.8 8 11 A L E - 0 0 61 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.909 60.2 -44.3 -84.0 -56.8 38.3 2.2 -21.3 9 12 A Y E -A 17 0A 123 8,-1.3 8,-2.6 0, 0.0 -1,-0.3 -0.967 58.9 -87.6-169.6 163.6 38.1 5.9 -20.3 10 13 A T E +A 16 0A 69 -2,-0.3 6,-0.3 6,-0.2 8,-0.0 -0.589 31.2 176.1 -79.8 133.8 36.4 8.4 -18.1 11 14 A I 0 0 96 4,-2.4 5,-0.2 -2,-0.3 -1,-0.2 0.833 360.0 360.0 -94.4 -70.4 33.2 10.1 -19.4 12 15 A G 0 0 67 3,-0.6 4,-0.1 0, 0.0 -2,-0.1 0.526 360.0 360.0-132.7 360.0 32.1 12.2 -16.4 13 ! 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 14 21 A R 0 0 148 0, 0.0 17,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.5 33.2 9.7 -11.6 15 22 A C E - B 0 30A 41 15,-0.2 -4,-2.4 13,-0.0 -3,-0.6 -0.882 360.0-170.9-107.2 139.1 31.6 7.8 -14.5 16 23 A Q E -AB 10 29A 12 13,-2.5 13,-2.0 -2,-0.4 2,-0.5 -0.980 26.2-127.7-135.4 140.9 33.6 5.5 -16.8 17 24 A K E -AB 9 28A 34 -8,-2.6 -9,-2.8 -2,-0.4 -8,-1.3 -0.739 42.2-179.3 -79.3 126.6 33.0 3.6 -20.0 18 25 A I E -AB 7 27A 0 9,-2.6 9,-2.7 -2,-0.5 2,-0.5 -0.881 25.0-136.6-130.4 160.5 34.1 -0.0 -19.2 19 26 A R E -AB 6 26A 112 -13,-2.2 -13,-2.2 -2,-0.3 2,-0.3 -0.977 19.1-132.2-121.7 123.4 34.3 -3.3 -21.1 20 27 A R E > -A 5 0A 62 5,-2.7 4,-1.9 -2,-0.5 3,-0.3 -0.587 14.5-148.1 -72.1 128.0 33.1 -6.6 -19.6 21 28 A K T 4 S+ 0 0 130 -17,-2.4 -1,-0.1 -2,-0.3 -16,-0.1 0.868 86.9 62.8 -68.4 -39.1 35.9 -9.2 -20.1 22 29 A S T 4 S- 0 0 104 -18,-0.4 -1,-0.2 1,-0.2 -17,-0.1 0.839 130.9 -0.8 -57.5 -39.6 33.7 -12.3 -20.4 23 30 A D T 4 S- 0 0 95 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.372 95.5-112.9-134.8 -1.8 31.8 -11.2 -23.5 24 31 A G < + 0 0 34 -4,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.692 53.6 168.8 74.8 20.4 33.2 -7.8 -24.3 25 32 A K - 0 0 92 -5,-0.3 -5,-2.7 -6,-0.1 2,-0.5 -0.451 34.0-125.8 -71.5 135.8 30.0 -5.9 -23.6 26 33 A I E +B 19 0A 57 -7,-0.2 55,-0.6 -2,-0.2 2,-0.2 -0.705 46.5 145.7 -85.8 122.6 30.2 -2.1 -23.4 27 34 A L E -BC 18 80A 2 -9,-2.7 -9,-2.6 -2,-0.5 2,-0.3 -0.703 35.9-128.7-135.3-175.8 28.9 -0.7 -20.1 28 35 A V E -BC 17 79A 13 51,-2.5 51,-3.3 -11,-0.3 2,-0.3 -0.961 13.2-157.2-134.1 159.8 29.6 2.2 -17.7 29 36 A W E -BC 16 78A 9 -13,-2.0 -13,-2.5 -2,-0.3 2,-0.5 -0.985 11.6-138.6-132.2 153.7 30.0 2.4 -14.0 30 37 A K E -BC 15 77A 69 47,-1.9 47,-2.1 -2,-0.3 2,-0.3 -0.936 21.6-138.2-107.1 125.6 29.7 5.2 -11.5 31 38 A E E - C 0 76A 44 -17,-3.2 2,-0.3 -2,-0.5 45,-0.2 -0.630 20.5-178.6 -83.8 142.3 32.3 5.4 -8.8 32 39 A L E - C 0 75A 27 43,-1.6 43,-2.8 -2,-0.3 2,-0.7 -0.804 14.9-156.4-145.6 100.1 31.3 6.2 -5.2 33 40 A D E + C 0 74A 106 -2,-0.3 3,-0.3 41,-0.2 41,-0.2 -0.676 16.2 174.2 -76.1 111.7 34.0 6.5 -2.5 34 41 A Y > + 0 0 35 39,-1.9 3,-2.3 -2,-0.7 -1,-0.1 0.310 44.6 111.6-100.5 5.7 32.1 5.8 0.8 35 42 A G T 3 S+ 0 0 49 38,-0.8 -1,-0.2 1,-0.3 38,-0.1 0.724 81.6 44.3 -53.2 -25.1 35.2 5.9 3.0 36 43 A S T 3 S+ 0 0 118 -3,-0.3 -1,-0.3 37,-0.1 2,-0.2 0.281 90.1 111.4-106.7 9.0 34.0 9.1 4.7 37 44 A M < - 0 0 59 -3,-2.3 2,-0.1 1,-0.1 -3,-0.0 -0.579 65.5-121.8 -87.1 146.3 30.3 8.1 5.2 38 45 A T > - 0 0 70 -2,-0.2 4,-1.7 1,-0.1 5,-0.2 -0.327 32.0-105.7 -72.5 164.6 28.7 7.4 8.6 39 46 A E H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.912 123.4 53.7 -56.8 -41.6 27.1 4.0 9.2 40 47 A A H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.886 108.0 47.9 -60.7 -43.0 23.8 5.7 8.9 41 48 A E H > S+ 0 0 107 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.786 110.2 53.0 -71.7 -27.8 24.6 7.2 5.5 42 49 A K H X S+ 0 0 92 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.857 104.5 55.0 -75.0 -36.8 25.9 3.8 4.3 43 50 A Q H X S+ 0 0 131 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.918 108.1 49.4 -59.3 -44.0 22.6 2.1 5.3 44 51 A M H X S+ 0 0 43 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.851 108.2 54.5 -62.8 -34.9 20.7 4.6 3.1 45 52 A L H X S+ 0 0 40 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.877 107.5 49.2 -68.0 -38.4 23.1 3.9 0.3 46 53 A V H X S+ 0 0 81 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.880 111.2 49.5 -67.3 -38.8 22.4 0.2 0.4 47 54 A S H X S+ 0 0 59 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.833 113.1 47.3 -70.3 -32.8 18.6 0.8 0.5 48 55 A E H X S+ 0 0 109 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.910 110.5 50.1 -73.8 -45.1 18.9 3.1 -2.5 49 56 A V H X S+ 0 0 21 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.888 110.8 50.3 -61.4 -39.1 21.1 0.8 -4.6 50 57 A N H X S+ 0 0 111 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.804 106.3 57.3 -67.0 -29.0 18.7 -2.0 -3.9 51 58 A L H >X S+ 0 0 116 -4,-0.9 4,-1.2 1,-0.2 3,-0.6 0.917 105.3 50.3 -62.6 -45.1 15.9 0.3 -5.1 52 59 A L H 3< S+ 0 0 16 -4,-1.9 11,-0.4 1,-0.2 -2,-0.2 0.791 102.2 59.1 -67.7 -32.8 17.7 0.8 -8.4 53 60 A R H 3< S+ 0 0 50 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 103.0 57.9 -65.5 -28.3 18.1 -3.0 -9.1 54 61 A E H << S+ 0 0 71 -4,-0.8 2,-0.3 -3,-0.6 -2,-0.2 0.983 85.0 78.8 -67.4 -62.5 14.3 -3.3 -8.9 55 62 A L < + 0 0 40 -4,-1.2 2,-0.5 68,-0.0 8,-0.4 -0.314 54.7 175.2 -60.7 114.6 13.0 -0.9 -11.6 56 63 A K + 0 0 138 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.987 16.5 138.1-122.0 120.7 13.3 -2.5 -15.0 57 64 A H > - 0 0 48 -2,-0.5 3,-1.8 3,-0.5 59,-0.0 -0.957 56.9-121.9-163.1 141.0 11.8 -0.6 -17.9 58 65 A P T 3 S+ 0 0 41 0, 0.0 4,-0.1 0, 0.0 188,-0.1 0.783 113.8 47.9 -59.8 -28.7 13.0 0.2 -21.5 59 66 A N T 3 S+ 0 0 1 83,-0.1 84,-2.6 2,-0.1 2,-0.4 0.123 99.9 77.7-103.3 22.0 12.9 3.9 -20.9 60 67 A I B < S-e 143 0B 4 -3,-1.8 -3,-0.5 82,-0.3 84,-0.2 -0.995 95.4-101.5-128.2 125.4 14.8 3.9 -17.6 61 68 A V - 0 0 6 82,-1.8 2,-0.4 -2,-0.4 -2,-0.1 -0.181 44.6-123.4 -46.3 124.8 18.6 3.5 -17.5 62 69 A R - 0 0 65 -4,-0.1 18,-2.2 -6,-0.1 2,-0.6 -0.595 17.1-152.1 -78.3 129.8 19.2 -0.2 -16.6 63 70 A Y E +D 79 0A 13 -11,-0.4 16,-0.2 -8,-0.4 3,-0.1 -0.906 17.1 175.8-104.0 117.7 21.3 -0.9 -13.5 64 71 A Y E - 0 0 99 14,-1.9 2,-0.3 -2,-0.6 15,-0.2 0.881 52.8 -11.5 -88.6 -43.9 23.1 -4.3 -13.9 65 72 A D E -D 78 0A 71 13,-1.5 13,-2.6 2,-0.0 2,-0.4 -0.957 45.6-134.5-158.1 163.3 25.3 -4.7 -10.8 66 73 A R E -D 77 0A 46 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.998 19.7-162.0-131.6 128.4 27.0 -3.3 -7.8 67 74 A I E -D 76 0A 10 9,-2.9 9,-2.6 -2,-0.4 2,-0.5 -0.947 3.9-155.2-117.5 121.1 30.7 -3.9 -7.0 68 75 A I E -D 75 0A 113 -2,-0.5 2,-0.4 7,-0.2 7,-0.2 -0.811 11.4-179.6 -93.8 126.6 32.2 -3.3 -3.5 69 76 A D E > +D 74 0A 48 5,-2.2 5,-2.2 -2,-0.5 4,-0.5 -0.770 0.6 179.9-122.5 85.1 35.9 -2.6 -3.3 70 77 A R T 5S+ 0 0 72 -2,-0.4 -1,-0.1 3,-0.2 5,-0.1 0.630 72.7 72.7 -62.0 -14.7 36.6 -2.2 0.5 71 78 A T T 5S+ 0 0 135 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.995 115.2 18.0 -62.5 -65.4 40.2 -1.6 -0.3 72 79 A N T 5S- 0 0 54 -3,-0.3 -37,-0.3 2,-0.1 -1,-0.2 0.250 109.9-118.6 -88.0 12.4 39.9 1.9 -1.8 73 80 A T T 5 + 0 0 44 -4,-0.5 -39,-1.9 1,-0.2 -38,-0.8 0.907 64.8 150.5 47.5 48.8 36.5 2.1 -0.1 74 81 A T E < -CD 33 69A 12 -5,-2.2 -5,-2.2 -41,-0.2 2,-0.4 -0.932 36.7-157.2-117.9 132.1 34.9 2.4 -3.5 75 82 A L E -CD 32 68A 17 -43,-2.8 -43,-1.6 -2,-0.4 2,-0.5 -0.892 9.3-157.8-103.4 134.2 31.4 1.3 -4.7 76 83 A Y E -CD 31 67A 29 -9,-2.6 -9,-2.9 -2,-0.4 2,-0.7 -0.953 5.6-161.9-114.6 120.7 30.8 0.7 -8.4 77 84 A I E -CD 30 66A 12 -47,-2.1 -47,-1.9 -2,-0.5 2,-0.4 -0.904 16.7-152.8 -98.7 113.4 27.3 0.9 -9.9 78 85 A V E +CD 29 65A 0 -13,-2.6 -14,-1.9 -2,-0.7 -13,-1.5 -0.724 26.5 160.3 -90.0 130.3 27.5 -0.9 -13.2 79 86 A M E -CD 28 63A 17 -51,-3.3 -51,-2.5 -2,-0.4 -16,-0.2 -0.892 41.0 -66.6-145.1 170.6 24.9 0.2 -15.8 80 87 A E E -C 27 0A 29 -18,-2.2 2,-0.5 -2,-0.3 -53,-0.2 -0.220 48.0-122.8 -51.0 142.8 23.8 0.4 -19.4 81 88 A Y - 0 0 62 -55,-0.6 2,-0.7 -54,-0.0 -1,-0.1 -0.846 18.3-161.8 -94.4 127.0 25.9 2.5 -21.8 82 89 A C > - 0 0 18 -2,-0.5 3,-2.2 1,-0.1 53,-0.3 -0.844 2.6-169.4-110.5 95.2 24.0 5.3 -23.6 83 90 A E T 3 S+ 0 0 134 -2,-0.7 53,-0.2 1,-0.3 -1,-0.1 0.695 80.5 62.5 -62.8 -22.5 26.2 6.4 -26.5 84 91 A G T 3 S- 0 0 38 51,-2.2 -1,-0.3 1,-0.2 52,-0.2 0.541 96.6-147.7 -80.7 -5.5 24.1 9.5 -27.4 85 92 A G E < -F 135 0B 29 -3,-2.2 50,-2.4 50,-0.6 -1,-0.2 -0.246 38.7 -25.5 70.9-161.4 25.0 11.0 -24.0 86 93 A D E > -F 134 0B 40 48,-0.2 4,-1.0 1,-0.1 3,-0.3 -0.434 49.4-123.1 -91.1 163.2 22.6 13.3 -22.1 87 94 A L H > S+ 0 0 0 46,-2.3 4,-1.9 43,-1.2 44,-0.2 0.764 106.4 66.2 -74.8 -27.2 19.9 15.6 -23.3 88 95 A A H > S+ 0 0 31 42,-0.8 4,-2.1 45,-0.3 -1,-0.2 0.870 101.7 48.8 -62.2 -36.6 21.4 18.7 -21.8 89 96 A S H > S+ 0 0 63 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.843 107.0 55.3 -72.7 -34.8 24.4 18.4 -24.2 90 97 A V H X S+ 0 0 30 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.911 110.0 46.5 -62.2 -42.0 22.1 18.0 -27.2 91 98 A I H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.920 112.6 49.6 -67.0 -44.3 20.3 21.3 -26.2 92 99 A T H X S+ 0 0 77 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.948 109.5 51.9 -59.5 -48.9 23.6 23.0 -25.7 93 100 A K H X S+ 0 0 158 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.897 112.1 46.7 -53.4 -43.9 24.9 21.8 -29.1 94 101 A G H X>S+ 0 0 5 -4,-2.0 5,-2.1 1,-0.2 4,-0.6 0.884 109.5 53.9 -66.1 -40.3 21.7 23.1 -30.7 95 102 A T H <5S+ 0 0 68 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.894 115.5 39.2 -60.8 -43.2 22.0 26.5 -28.9 96 103 A K H <5S+ 0 0 167 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.938 118.1 44.7 -75.3 -49.9 25.5 27.1 -30.1 97 104 A E H <5S- 0 0 67 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.481 105.9-128.3 -73.8 -1.5 25.2 25.7 -33.7 98 105 A R T <5 + 0 0 84 -4,-0.6 2,-0.4 1,-0.2 -3,-0.2 0.939 62.7 137.0 50.6 53.7 21.9 27.6 -33.9 99 106 A Q < - 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