==== 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 2XK3 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAS-DROUX,R.BAYLISS . 247 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 66.0 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 . 38 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.8 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 . 15 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 30.8 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 3 0 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 1 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 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 3 A S 0 0 104 0, 0.0 69,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-127.8 30.5 -9.5 -8.3 2 4 A R > - 0 0 43 67,-0.1 3,-1.7 1,-0.1 4,-0.1 -0.992 360.0-135.9-140.1 142.9 34.1 -8.2 -8.7 3 5 A A G > S+ 0 0 21 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.812 102.4 69.0 -62.2 -32.7 35.8 -5.2 -10.4 4 6 A E G 3 S+ 0 0 74 1,-0.3 -1,-0.3 3,-0.1 19,-0.0 0.660 85.3 72.2 -62.6 -15.0 38.5 -7.4 -11.9 5 7 A D G < S+ 0 0 80 -3,-1.7 18,-2.4 17,-0.1 19,-0.4 0.505 99.5 53.2 -75.7 -5.3 35.7 -8.8 -14.1 6 8 A Y E < S-A 22 0A 23 -3,-2.2 2,-0.5 16,-0.2 16,-0.2 -0.932 70.1-143.1-132.4 152.9 35.7 -5.5 -16.1 7 9 A E E -A 21 0A 107 14,-2.1 14,-2.1 -2,-0.3 2,-0.2 -0.968 20.4-131.4-118.4 122.0 38.2 -3.3 -17.9 8 10 A V E -A 20 0A 58 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.488 21.1-177.4 -65.1 133.8 37.8 0.5 -17.7 9 11 A L E - 0 0 65 10,-2.7 2,-0.3 1,-0.4 11,-0.2 0.792 61.4 -42.7 -96.8 -45.6 38.1 2.0 -21.2 10 12 A Y E -A 19 0A 117 9,-1.3 9,-2.4 0, 0.0 -1,-0.4 -0.954 60.0 -85.5-175.9 167.8 37.9 5.6 -20.2 11 13 A T E -A 18 0A 64 -2,-0.3 7,-0.3 7,-0.2 3,-0.1 -0.634 27.0-174.8 -86.1 134.6 36.2 8.2 -18.0 12 14 A I E - 0 0 92 5,-2.7 2,-0.3 1,-0.4 6,-0.2 0.907 64.7 -17.2 -88.7 -67.3 32.9 9.8 -19.2 13 15 A G E A 17 0A 31 4,-0.6 4,-3.3 0, 0.0 -1,-0.4 -0.940 360.0 360.0-139.0 162.0 32.2 12.4 -16.6 14 16 A T 0 0 171 -2,-0.3 4,-0.0 2,-0.2 0, 0.0 -0.328 360.0 360.0-112.6 360.0 33.1 13.3 -13.0 15 ! 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 16 21 A R 0 0 121 0, 0.0 17,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 135.3 33.0 9.4 -11.4 17 22 A C E -AB 13 32A 41 -4,-3.3 -5,-2.7 15,-0.2 -4,-0.6 -0.902 360.0-177.7-113.8 136.4 31.4 7.6 -14.4 18 23 A Q E -AB 11 31A 9 13,-2.6 13,-2.3 -2,-0.4 2,-0.4 -0.992 29.3-125.7-139.3 142.9 33.3 5.3 -16.7 19 24 A K E -AB 10 30A 35 -9,-2.4 -10,-2.7 -2,-0.4 -9,-1.3 -0.717 42.7-180.0 -80.2 130.5 32.7 3.3 -19.9 20 25 A I E -AB 8 29A 0 9,-2.3 9,-3.2 -2,-0.4 2,-0.5 -0.893 26.0-135.3-134.7 162.3 33.8 -0.3 -19.2 21 26 A R E -AB 7 28A 110 -14,-2.1 -14,-2.1 -2,-0.3 2,-0.4 -0.971 18.1-134.4-123.8 119.2 34.0 -3.7 -20.9 22 27 A R E > -A 6 0A 58 5,-2.5 4,-1.8 -2,-0.5 3,-0.4 -0.566 15.3-147.1 -67.8 122.9 32.9 -6.9 -19.2 23 28 A K T 4 S+ 0 0 128 -18,-2.4 -1,-0.1 -2,-0.4 -17,-0.1 0.848 87.1 67.0 -62.1 -39.0 35.6 -9.5 -19.9 24 29 A S T 4 S- 0 0 102 -19,-0.4 -1,-0.2 1,-0.2 -18,-0.1 0.879 129.8 -2.9 -52.9 -44.2 33.4 -12.6 -20.2 25 30 A D T 4 S- 0 0 95 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.254 95.2-111.9-135.2 7.8 31.6 -11.5 -23.4 26 31 A G < + 0 0 32 -4,-1.8 -3,-0.2 1,-0.2 2,-0.1 0.623 53.9 170.2 68.3 14.7 33.1 -8.1 -24.1 27 32 A K - 0 0 91 -5,-0.3 -5,-2.5 -6,-0.1 2,-0.5 -0.354 33.8-124.7 -62.3 133.3 29.8 -6.3 -23.4 28 33 A I E +B 21 0A 55 -7,-0.2 55,-0.5 -2,-0.1 -7,-0.2 -0.692 44.8 155.1 -82.7 121.1 30.1 -2.5 -23.3 29 34 A L E -BC 20 82A 1 -9,-3.2 -9,-2.3 -2,-0.5 2,-0.3 -0.614 34.5-127.6-131.0-170.7 28.7 -1.1 -20.0 30 35 A V E -BC 19 81A 13 51,-2.2 51,-3.4 -11,-0.3 2,-0.3 -0.944 18.2-165.7-136.9 141.3 29.1 1.9 -17.8 31 36 A W E -BC 18 80A 8 -13,-2.3 -13,-2.6 -2,-0.3 2,-0.5 -0.992 13.0-141.8-130.6 158.0 29.8 2.1 -14.0 32 37 A K E -BC 17 79A 54 47,-2.0 47,-2.1 -2,-0.3 2,-0.4 -0.949 18.2-141.3-111.4 127.0 29.6 4.9 -11.5 33 38 A E E - C 0 78A 42 -17,-3.5 2,-0.4 -2,-0.5 45,-0.2 -0.750 19.2-178.1 -89.9 131.6 32.2 5.1 -8.8 34 39 A L E - C 0 77A 29 43,-2.2 43,-3.3 -2,-0.4 2,-0.9 -0.990 16.3-151.6-131.4 124.8 31.2 6.0 -5.2 35 40 A D E > + C 0 76A 100 -2,-0.4 3,-0.5 41,-0.2 41,-0.2 -0.815 20.0 170.4 -99.2 101.8 33.8 6.4 -2.4 36 41 A Y G > + 0 0 38 39,-1.2 3,-2.8 -2,-0.9 40,-0.1 0.391 46.6 108.7 -90.0 0.3 32.0 5.6 0.9 37 42 A G G 3 S+ 0 0 45 38,-1.0 -1,-0.2 1,-0.3 38,-0.1 0.768 83.8 43.9 -47.8 -30.9 35.2 5.5 3.0 38 43 A S G < S+ 0 0 112 -3,-0.5 -1,-0.3 37,-0.1 2,-0.2 0.214 93.7 109.4-102.9 13.3 34.1 8.8 4.6 39 44 A M < - 0 0 59 -3,-2.8 2,-0.1 1,-0.1 -3,-0.0 -0.601 66.5-121.5 -92.2 151.6 30.5 7.8 5.2 40 45 A T > - 0 0 71 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.343 32.8-106.0 -77.2 167.5 28.8 7.1 8.5 41 46 A E H > S+ 0 0 167 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.858 123.1 53.3 -65.1 -33.0 27.2 3.7 9.1 42 47 A A H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.935 106.8 49.5 -64.8 -50.2 23.8 5.5 8.8 43 48 A E H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.853 112.3 50.5 -57.1 -34.3 24.7 7.1 5.4 44 49 A K H X S+ 0 0 71 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.838 105.7 53.7 -76.4 -32.9 25.8 3.6 4.2 45 50 A Q H X S+ 0 0 129 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.877 110.2 48.2 -67.4 -38.0 22.6 1.9 5.3 46 51 A M H X S+ 0 0 53 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.905 110.7 51.9 -64.8 -43.0 20.6 4.4 3.3 47 52 A L H X S+ 0 0 35 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.907 107.8 52.1 -59.3 -44.2 23.0 3.8 0.4 48 53 A V H X S+ 0 0 78 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.931 114.6 41.0 -59.1 -48.2 22.4 0.0 0.6 49 54 A S H X S+ 0 0 63 -4,-2.0 4,-1.9 2,-0.2 3,-0.2 0.922 113.1 54.5 -69.5 -46.6 18.6 0.4 0.6 50 55 A E H < S+ 0 0 109 -4,-3.2 4,-0.5 1,-0.2 3,-0.2 0.908 109.1 47.1 -47.6 -47.7 18.7 3.1 -2.1 51 56 A V H >X S+ 0 0 23 -4,-2.6 4,-1.2 1,-0.2 3,-0.5 0.784 106.4 61.8 -68.8 -24.3 20.8 0.8 -4.4 52 57 A N H 3X S+ 0 0 111 -4,-1.1 4,-0.7 1,-0.2 3,-0.3 0.902 99.6 52.0 -68.0 -44.3 18.3 -1.9 -3.5 53 58 A L H 3X S+ 0 0 62 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.570 104.2 60.7 -64.9 -14.4 15.4 0.1 -5.1 54 59 A L H X4 S+ 0 0 20 -3,-0.5 3,-0.5 -4,-0.5 11,-0.3 0.853 98.6 52.7 -84.7 -39.4 17.4 0.5 -8.3 55 60 A R H 3< S+ 0 0 58 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.757 103.5 61.3 -65.6 -24.6 17.8 -3.1 -9.0 56 61 A E H 3< S+ 0 0 77 -4,-0.7 2,-0.9 1,-0.1 -1,-0.2 0.823 84.3 87.0 -70.6 -34.4 14.0 -3.5 -8.7 57 62 A L << + 0 0 29 -4,-0.6 2,-0.5 -3,-0.5 8,-0.4 -0.594 49.6 167.6 -79.3 105.7 13.2 -1.1 -11.6 58 63 A K + 0 0 140 -2,-0.9 5,-0.1 6,-0.1 6,-0.1 -0.979 17.3 133.1-117.5 120.5 13.1 -2.8 -15.0 59 64 A H > - 0 0 47 -2,-0.5 3,-2.0 3,-0.4 59,-0.0 -0.921 58.9-123.6-166.1 137.9 11.7 -0.8 -17.8 60 65 A P T 3 S+ 0 0 45 0, 0.0 4,-0.1 0, 0.0 190,-0.1 0.797 113.6 48.5 -56.0 -29.5 12.8 -0.1 -21.4 61 66 A N T 3 S+ 0 0 1 83,-0.1 84,-2.7 2,-0.1 2,-0.4 0.196 99.5 77.0-103.6 16.6 12.6 3.6 -20.8 62 67 A I B < S-e 145 0B 2 -3,-2.0 -3,-0.4 82,-0.3 84,-0.2 -0.995 95.4-100.4-124.2 129.1 14.6 3.6 -17.5 63 68 A V - 0 0 6 82,-2.2 2,-0.4 -2,-0.4 -2,-0.1 -0.208 45.1-124.7 -48.9 125.6 18.4 3.2 -17.5 64 69 A R - 0 0 69 -4,-0.1 18,-2.4 -6,-0.1 2,-0.4 -0.653 18.6-153.5 -82.3 126.0 19.0 -0.4 -16.6 65 70 A Y E +D 81 0A 12 -2,-0.4 16,-0.3 -8,-0.4 3,-0.1 -0.798 13.7 179.1 -96.4 141.7 21.3 -1.3 -13.6 66 71 A Y E - 0 0 95 14,-3.3 2,-0.3 -2,-0.4 15,-0.2 0.709 54.1 -13.8-112.0 -30.4 23.1 -4.6 -13.7 67 72 A D E -D 80 0A 44 13,-1.2 13,-2.4 2,-0.0 2,-0.4 -0.994 44.2-130.9-171.3 155.2 25.1 -4.9 -10.6 68 73 A R E -D 79 0A 50 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.971 24.8-162.7-119.6 143.0 26.7 -3.4 -7.5 69 74 A I E -D 78 0A 1 9,-2.3 9,-2.9 -2,-0.4 2,-0.6 -0.979 4.0-154.7-132.6 122.1 30.4 -4.0 -6.8 70 75 A I E -D 77 0A 107 -2,-0.4 2,-0.6 -69,-0.4 7,-0.2 -0.836 11.5-178.6 -99.8 122.7 32.1 -3.5 -3.5 71 76 A D E > > +D 76 0A 53 5,-2.9 5,-2.1 -2,-0.6 3,-0.7 -0.801 4.5 178.0-114.0 87.3 35.8 -2.9 -3.3 72 77 A R T 3 5S+ 0 0 72 -2,-0.6 3,-0.2 1,-0.2 -1,-0.1 0.699 73.4 68.1 -63.8 -20.0 36.4 -2.6 0.5 73 78 A T T 3 5S+ 0 0 140 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.908 117.3 21.5 -67.6 -44.0 40.2 -2.1 -0.1 74 79 A N T < 5S- 0 0 57 -3,-0.7 -1,-0.2 2,-0.1 -37,-0.2 0.132 108.7-120.8-107.3 18.3 39.7 1.3 -1.7 75 80 A T T 5 + 0 0 45 -4,-0.3 -39,-1.2 -3,-0.2 -38,-1.0 0.854 63.8 144.5 44.2 47.2 36.3 1.8 -0.1 76 81 A T E < -CD 35 71A 14 -5,-2.1 -5,-2.9 -41,-0.2 2,-0.5 -0.951 38.6-158.6-119.3 133.9 34.6 2.2 -3.5 77 82 A L E -CD 34 70A 15 -43,-3.3 -43,-2.2 -2,-0.4 2,-0.5 -0.932 12.1-157.6-104.5 129.9 31.2 1.0 -4.6 78 83 A Y E -CD 33 69A 25 -9,-2.9 -9,-2.3 -2,-0.5 2,-0.6 -0.928 5.2-159.1-109.2 129.5 30.6 0.6 -8.3 79 84 A I E -CD 32 68A 14 -47,-2.1 -47,-2.0 -2,-0.5 2,-0.4 -0.942 14.9-152.4-107.8 115.6 27.2 0.6 -9.9 80 85 A V E +CD 31 67A 0 -13,-2.4 -14,-3.3 -2,-0.6 -13,-1.2 -0.726 26.8 156.9 -91.7 129.8 27.2 -1.1 -13.2 81 86 A M E -CD 30 65A 19 -51,-3.4 -51,-2.2 -2,-0.4 -16,-0.2 -0.871 41.9 -63.6-143.1 175.2 24.7 -0.0 -15.8 82 87 A E E -C 29 0A 28 -18,-2.4 2,-0.5 -2,-0.3 -53,-0.2 -0.263 46.3-123.2 -51.1 142.6 23.7 0.2 -19.4 83 88 A Y - 0 0 66 -55,-0.5 2,-0.8 -53,-0.0 -1,-0.1 -0.842 18.4-160.8 -91.4 127.4 25.8 2.4 -21.8 84 89 A C > - 0 0 16 -2,-0.5 3,-2.3 1,-0.1 53,-0.3 -0.830 3.5-166.9-110.3 92.8 23.7 5.1 -23.4 85 90 A E T 3 S+ 0 0 130 -2,-0.8 53,-0.2 1,-0.3 -1,-0.1 0.646 79.0 62.9 -62.8 -16.6 25.8 6.0 -26.4 86 91 A G T 3 S- 0 0 38 51,-2.5 -1,-0.3 1,-0.3 52,-0.2 0.537 96.6-142.2 -84.5 -7.0 23.9 9.2 -27.3 87 92 A G E < -F 137 0B 31 -3,-2.3 50,-2.6 50,-0.6 -1,-0.3 -0.341 39.5 -34.3 76.1-162.7 24.7 10.9 -24.0 88 93 A D E > -F 136 0B 36 48,-0.2 4,-0.8 1,-0.1 48,-0.2 -0.437 48.9-117.6 -96.8 166.6 22.3 13.1 -22.0 89 94 A L H > S+ 0 0 0 46,-2.0 4,-2.0 43,-1.3 44,-0.2 0.735 107.1 67.1 -78.0 -26.9 19.6 15.5 -23.2 90 95 A A H > S+ 0 0 29 42,-0.8 4,-2.6 45,-0.2 -1,-0.2 0.911 102.1 47.6 -57.0 -44.6 21.3 18.6 -21.7 91 96 A S H > S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.830 108.4 54.7 -69.6 -32.8 24.2 18.3 -24.1 92 97 A V H X S+ 0 0 30 -4,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.895 112.2 43.3 -65.6 -40.2 21.8 17.8 -27.1 93 98 A I H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.890 114.2 50.6 -71.4 -41.3 20.0 21.1 -26.1 94 99 A T H X S+ 0 0 96 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.959 111.4 48.9 -60.4 -49.8 23.3 22.8 -25.5 95 100 A K H X S+ 0 0 125 -4,-2.9 4,-1.8 1,-0.2 3,-0.3 0.903 108.2 53.2 -55.7 -47.8 24.5 21.7 -28.9 96 101 A G H <>S+ 0 0 6 -4,-2.1 5,-2.0 1,-0.2 4,-0.2 0.908 105.7 55.1 -54.2 -44.7 21.4 22.8 -30.7 97 102 A T H ><5S+ 0 0 80 -4,-2.1 3,-0.6 3,-0.2 -1,-0.2 0.874 108.8 48.3 -57.6 -40.7 21.8 26.3 -29.2 98 103 A K H 3<5S+ 0 0 82 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.986 114.6 39.8 -65.7 -63.2 25.3 26.6 -30.6 99 104 A E T 3<5S- 0 0 129 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.318 106.9-125.8 -71.9 11.1 24.8 25.6 -34.2 100 105 A R T < 5 + 0 0 84 -3,-0.6 2,-0.5 -4,-0.2 -3,-0.2 0.885 64.7 140.3 42.4 47.6 21.5 27.5 -34.0 101 106 A Q < - 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