==== 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 2XKC . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAS-DROUX,R.BAYLISS . 244 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13258.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 65.6 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 . 37 15.2 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 . 1 0.4 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 . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 30.7 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 1 0 1 0 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 . 1 0 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 94 0, 0.0 2,-0.4 0, 0.0 71,-0.3 0.000 360.0 360.0 360.0 34.3 30.1 9.6 8.8 2 4 A R > - 0 0 39 69,-0.1 3,-2.7 1,-0.1 4,-0.3 -0.902 360.0-121.6-115.5 145.9 33.6 8.3 8.2 3 5 A A G > S+ 0 0 27 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.754 110.9 66.4 -54.1 -25.7 35.1 5.1 9.7 4 6 A E G 3 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.1 21,-0.0 0.607 85.6 71.2 -74.9 -11.0 37.8 7.3 11.3 5 7 A D G < S+ 0 0 59 -3,-2.7 20,-2.8 19,-0.1 21,-0.4 0.662 97.9 59.5 -74.9 -17.4 35.1 8.9 13.5 6 8 A Y E < S-A 24 0A 20 -3,-1.3 2,-0.5 -4,-0.3 18,-0.2 -0.864 72.2-143.8-117.7 148.1 34.9 5.6 15.4 7 9 A E E -A 23 0A 102 16,-2.9 16,-2.6 -2,-0.3 2,-0.4 -0.944 20.0-132.2-110.8 121.7 37.5 3.6 17.4 8 10 A V E +A 22 0A 62 -2,-0.5 14,-0.2 14,-0.2 3,-0.1 -0.597 24.1 179.7 -71.7 122.9 37.2 -0.2 17.2 9 11 A L E - 0 0 61 12,-2.8 2,-0.3 -2,-0.4 -1,-0.2 0.932 60.5 -31.6 -85.5 -65.4 37.4 -1.7 20.7 10 12 A Y E -A 21 0A 121 11,-1.0 11,-2.9 0, 0.0 -1,-0.3 -0.993 61.5 -97.7-155.2 156.7 37.1 -5.4 20.0 11 13 A T E -A 20 0A 59 -2,-0.3 9,-0.3 9,-0.2 3,-0.1 -0.565 27.3-173.0 -75.7 132.3 35.6 -7.9 17.6 12 14 A I E - 0 0 89 7,-2.6 2,-0.3 1,-0.3 8,-0.2 0.931 62.8 -13.4 -87.6 -62.1 32.3 -9.5 18.7 13 15 A G E A 19 0A 31 6,-1.0 6,-3.1 1,-0.0 -1,-0.3 -0.911 360.0 360.0-140.4 167.1 31.6 -12.1 16.1 14 16 A T 0 0 146 -2,-0.3 3,-0.3 4,-0.2 4,-0.0 -0.171 360.0 360.0-132.2 360.0 32.7 -13.2 12.6 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 19 A Y 0 0 120 0, 0.0 21,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -55.6 27.7 -11.5 6.7 17 20 A G - 0 0 30 -3,-0.3 2,-0.3 19,-0.1 19,-0.1 -0.915 360.0 -13.2 172.9-146.4 31.1 -10.6 7.9 18 21 A R - 0 0 101 17,-0.3 17,-3.1 -2,-0.3 2,-0.4 -0.659 48.9-159.3 -87.4 139.9 32.9 -9.2 10.9 19 22 A C E -AB 13 34A 35 -6,-3.1 -7,-2.6 -2,-0.3 -6,-1.0 -0.974 16.3-176.4-118.1 132.3 31.0 -7.5 13.8 20 23 A Q E -AB 11 33A 8 13,-2.3 13,-2.0 -2,-0.4 2,-0.5 -0.968 28.9-125.8-136.5 144.8 32.8 -5.2 16.1 21 24 A K E -AB 10 32A 34 -11,-2.9 -12,-2.8 -2,-0.4 -11,-1.0 -0.764 41.3-178.7 -85.8 128.5 32.2 -3.1 19.3 22 25 A I E -AB 8 31A 0 9,-3.1 9,-3.3 -2,-0.5 2,-0.5 -0.891 25.5-141.4-132.6 156.2 33.1 0.5 18.6 23 26 A R E -AB 7 30A 93 -16,-2.6 -16,-2.9 -2,-0.3 2,-0.4 -0.981 21.8-130.2-120.0 126.1 33.3 3.9 20.4 24 27 A R E > -A 6 0A 59 5,-2.6 4,-2.6 -2,-0.5 5,-0.4 -0.606 14.6-145.6 -73.3 124.4 32.4 7.1 18.6 25 28 A K T 4 S+ 0 0 128 -20,-2.8 -1,-0.1 -2,-0.4 -19,-0.1 0.841 89.3 63.8 -62.0 -37.8 35.2 9.6 19.2 26 29 A S T 4 S- 0 0 104 -21,-0.4 -1,-0.2 1,-0.2 -20,-0.1 0.916 130.4 -2.1 -54.8 -51.1 32.9 12.7 19.4 27 30 A D T 4 S- 0 0 96 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.440 94.9-113.1-124.2 -6.5 31.0 11.7 22.5 28 31 A G < + 0 0 29 -4,-2.6 -3,-0.2 1,-0.2 2,-0.2 0.652 52.9 169.8 80.3 16.8 32.4 8.3 23.4 29 32 A K - 0 0 85 -5,-0.4 -5,-2.6 -6,-0.1 2,-0.5 -0.412 32.6-127.9 -66.5 132.1 29.1 6.5 22.6 30 33 A I E +B 23 0A 57 -7,-0.2 55,-0.7 -2,-0.2 2,-0.2 -0.693 45.9 144.6 -84.0 126.1 29.4 2.7 22.6 31 34 A L E -BC 22 84A 0 -9,-3.3 -9,-3.1 -2,-0.5 2,-0.3 -0.774 37.0-128.4-140.9-177.0 28.0 1.2 19.4 32 35 A V E -BC 21 83A 9 51,-2.4 51,-3.0 -11,-0.3 2,-0.3 -0.963 15.3-159.8-134.3 158.0 28.7 -1.7 17.1 33 36 A W E -BC 20 82A 9 -13,-2.0 -13,-2.3 -2,-0.3 2,-0.5 -0.949 11.3-137.4-132.9 161.4 29.1 -1.9 13.4 34 37 A K E -BC 19 81A 46 47,-1.4 47,-2.1 -2,-0.3 2,-0.5 -0.974 17.1-138.5-121.1 124.7 28.9 -4.7 10.8 35 38 A E E - C 0 80A 25 -17,-3.1 2,-0.5 -2,-0.5 -17,-0.3 -0.710 18.5-176.9 -86.8 124.1 31.4 -5.1 8.0 36 39 A L E - C 0 79A 23 43,-2.9 43,-2.9 -2,-0.5 2,-1.3 -0.965 16.2-151.0-119.5 114.3 30.1 -6.0 4.5 37 40 A D E > + C 0 78A 97 -2,-0.5 3,-0.7 -21,-0.4 41,-0.2 -0.689 21.9 170.6 -85.0 93.4 32.7 -6.5 1.9 38 41 A Y G > + 0 0 35 -2,-1.3 3,-2.9 39,-0.7 -1,-0.2 0.421 49.5 107.2 -80.3 1.4 30.9 -5.5 -1.3 39 42 A G G 3 S+ 0 0 43 38,-0.9 -1,-0.2 1,-0.3 39,-0.1 0.767 82.2 43.6 -51.5 -29.4 34.2 -5.7 -3.1 40 43 A S G < S+ 0 0 112 -3,-0.7 -1,-0.3 37,-0.1 2,-0.2 0.162 97.0 105.3-104.0 17.1 33.2 -8.9 -4.8 41 44 A M < - 0 0 59 -3,-2.9 2,-0.1 1,-0.1 -3,-0.0 -0.644 65.3-125.7 -98.3 155.1 29.6 -7.7 -5.7 42 45 A T > - 0 0 73 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.363 33.8-102.0 -86.3 173.0 28.2 -6.6 -9.0 43 46 A E H > S+ 0 0 80 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.744 124.8 54.1 -66.8 -22.3 26.5 -3.2 -9.6 44 47 A A H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.924 108.1 45.7 -76.0 -47.9 23.2 -5.2 -9.4 45 48 A E H > S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.859 114.4 49.3 -64.0 -36.9 23.9 -6.7 -6.0 46 49 A K H X S+ 0 0 91 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.823 104.2 59.6 -71.9 -32.2 25.1 -3.4 -4.6 47 50 A Q H X S+ 0 0 62 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.895 110.9 41.2 -62.1 -40.4 22.0 -1.6 -6.0 48 51 A M H X S+ 0 0 59 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.799 110.6 59.7 -74.5 -30.1 19.9 -4.0 -3.8 49 52 A L H X S+ 0 0 43 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.866 108.6 43.1 -66.3 -37.7 22.3 -3.6 -1.0 50 53 A V H X S+ 0 0 57 -4,-2.1 4,-1.7 2,-0.2 3,-0.2 0.946 114.8 46.2 -74.8 -50.8 21.8 0.2 -0.8 51 54 A S H X S+ 0 0 65 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.783 112.2 54.0 -64.1 -27.3 18.0 0.3 -1.2 52 55 A E H X S+ 0 0 48 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.847 109.2 46.5 -74.5 -35.8 17.8 -2.5 1.4 53 56 A V H X S+ 0 0 12 -4,-1.2 4,-1.3 -3,-0.2 -2,-0.2 0.730 105.4 60.7 -79.2 -23.6 19.8 -0.5 4.0 54 57 A N H < S+ 0 0 77 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.806 105.1 48.6 -69.3 -30.1 17.8 2.6 3.3 55 58 A L H X S+ 0 0 127 -4,-0.8 4,-0.8 1,-0.2 -1,-0.2 0.659 107.1 56.1 -82.9 -18.5 14.7 0.7 4.5 56 59 A L H < S+ 0 0 53 -4,-0.5 11,-0.4 1,-0.2 -2,-0.2 0.784 99.7 60.8 -75.4 -31.3 16.7 -0.4 7.5 57 60 A R T < S+ 0 0 30 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.724 98.8 60.6 -66.7 -22.0 17.3 3.2 8.3 58 61 A E T 4 S+ 0 0 43 -4,-0.4 2,-0.3 -5,-0.1 -1,-0.2 0.951 76.2 93.1 -73.9 -53.4 13.6 3.7 8.6 59 62 A L < + 0 0 40 -4,-0.8 2,-0.6 1,-0.1 8,-0.5 -0.231 44.8 171.4 -52.9 104.9 12.6 1.4 11.5 60 63 A K + 0 0 68 -2,-0.3 -1,-0.1 6,-0.1 5,-0.1 -0.911 22.3 134.7-115.8 101.8 12.7 3.4 14.7 61 64 A H > - 0 0 40 -2,-0.6 3,-1.9 3,-0.4 59,-0.0 -0.991 59.1-127.5-151.2 138.0 11.3 1.2 17.5 62 65 A P T 3 S+ 0 0 42 0, 0.0 4,-0.1 0, 0.0 185,-0.1 0.768 111.5 46.0 -58.2 -27.7 12.4 0.4 21.1 63 66 A N T 3 S+ 0 0 1 81,-0.1 82,-2.8 56,-0.1 2,-0.4 0.226 100.2 76.8-105.6 12.9 12.3 -3.3 20.4 64 67 A I B < S-e 145 0B 14 -3,-1.9 -3,-0.4 80,-0.3 82,-0.2 -0.992 96.4-101.6-119.6 129.6 14.1 -3.3 17.1 65 68 A V - 0 0 24 80,-3.0 2,-0.4 -2,-0.4 82,-0.1 -0.259 45.2-121.9 -49.6 123.5 17.8 -2.9 17.0 66 69 A R - 0 0 76 -4,-0.1 18,-2.3 -6,-0.1 2,-0.5 -0.574 17.0-148.5 -80.7 126.6 18.4 0.7 16.1 67 70 A Y E +D 83 0A 23 -8,-0.5 16,-0.3 -2,-0.4 3,-0.1 -0.825 20.7 172.3 -91.5 126.5 20.5 1.5 13.0 68 71 A Y E - 0 0 88 14,-3.3 2,-0.3 -2,-0.5 15,-0.2 0.890 52.5 -6.0 -98.8 -54.8 22.4 4.7 13.2 69 72 A D E -D 82 0A 34 13,-1.2 13,-2.5 2,-0.0 2,-0.4 -0.863 45.0-142.1-143.2 164.7 24.8 5.2 10.3 70 73 A R E -D 81 0A 92 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.945 19.8-167.4-136.9 118.2 26.3 3.6 7.2 71 74 A I E -D 80 0A 2 9,-2.5 9,-2.6 -2,-0.4 2,-0.3 -0.909 4.0-158.1-111.9 123.6 29.9 4.2 6.4 72 75 A I E -D 79 0A 99 -2,-0.5 -69,-0.3 -71,-0.3 2,-0.3 -0.752 7.5-173.8 -97.5 145.2 31.5 3.4 3.0 73 76 A D E >> -D 78 0A 48 5,-1.4 5,-1.8 -2,-0.3 4,-0.8 -0.711 6.5-176.5-139.0 85.7 35.2 2.8 2.5 74 77 A R T 45S+ 0 0 74 -2,-0.3 -1,-0.1 3,-0.2 5,-0.1 0.714 78.0 74.1 -56.8 -21.8 36.1 2.4 -1.1 75 78 A T T 45S+ 0 0 132 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.986 119.1 12.3 -52.8 -67.9 39.7 1.8 -0.0 76 79 A N T 45S- 0 0 54 -3,-0.5 -37,-0.2 2,-0.1 -1,-0.2 0.245 107.3-122.0 -91.7 11.5 39.0 -1.7 1.3 77 80 A T T <5 + 0 0 47 -4,-0.8 -38,-0.9 1,-0.2 -39,-0.7 0.910 61.6 152.4 45.2 51.7 35.6 -1.6 -0.4 78 81 A T E < -CD 37 73A 15 -5,-1.8 -5,-1.4 -41,-0.2 2,-0.5 -0.924 37.9-151.8-119.2 135.0 34.0 -2.2 2.9 79 82 A L E -CD 36 72A 14 -43,-2.9 -43,-2.9 -2,-0.4 2,-0.6 -0.890 9.8-159.3-105.6 131.6 30.5 -1.2 4.1 80 83 A Y E -CD 35 71A 24 -9,-2.6 -9,-2.5 -2,-0.5 2,-0.7 -0.938 4.6-162.2-115.7 116.2 29.9 -0.5 7.8 81 84 A I E -CD 34 70A 5 -47,-2.1 -47,-1.4 -2,-0.6 2,-0.5 -0.864 15.4-153.2 -95.2 113.4 26.4 -0.6 9.3 82 85 A V E +CD 33 69A 0 -13,-2.5 -14,-3.3 -2,-0.7 -13,-1.2 -0.759 24.3 162.9 -92.2 125.2 26.5 1.2 12.6 83 86 A M E -CD 32 67A 38 -51,-3.0 -51,-2.4 -2,-0.5 -16,-0.2 -0.857 42.4 -74.2-136.3 168.4 23.9 0.1 15.1 84 87 A E E -C 31 0A 25 -18,-2.3 2,-0.5 -2,-0.3 -53,-0.2 -0.247 47.7-116.0 -62.1 150.4 23.1 0.3 18.9 85 88 A Y - 0 0 58 -55,-0.7 2,-0.8 -63,-0.1 -1,-0.1 -0.810 19.6-159.3 -91.5 125.0 25.2 -1.9 21.2 86 89 A C > - 0 0 14 -2,-0.5 3,-2.3 1,-0.1 51,-0.3 -0.814 4.7-168.3-104.3 91.0 23.1 -4.5 23.1 87 90 A E T 3 S+ 0 0 126 -2,-0.8 51,-0.2 1,-0.3 -1,-0.1 0.719 79.1 65.7 -55.2 -26.1 25.4 -5.4 26.0 88 91 A G T 3 S- 0 0 35 49,-2.1 -1,-0.3 1,-0.2 50,-0.2 0.489 96.4-142.3 -78.5 -3.2 23.3 -8.4 27.0 89 92 A G < - 0 0 29 -3,-2.3 48,-2.4 48,-0.5 -1,-0.2 -0.293 37.0 -41.7 74.3-161.3 24.2 -10.3 23.8 90 93 A D B > -F 136 0B 33 46,-0.2 4,-1.2 1,-0.1 3,-0.3 -0.562 48.4-112.5-101.7 167.7 21.7 -12.5 22.0 91 94 A L H > S+ 0 0 0 44,-2.2 4,-3.1 41,-1.4 5,-0.3 0.807 110.2 69.6 -68.8 -30.8 19.1 -15.0 23.3 92 95 A A H > S+ 0 0 28 40,-1.0 4,-2.7 43,-0.3 -1,-0.2 0.929 101.4 46.1 -50.7 -49.1 21.0 -18.0 21.8 93 96 A S H > S+ 0 0 70 -3,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.897 110.9 52.4 -62.9 -42.3 23.8 -17.4 24.4 94 97 A V H X S+ 0 0 28 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.937 111.9 45.8 -57.3 -48.8 21.2 -17.1 27.2 95 98 A I H X S+ 0 0 8 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.898 114.5 48.4 -60.9 -42.3 19.6 -20.3 26.2 96 99 A T H X S+ 0 0 96 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.902 110.1 51.8 -63.2 -42.5 23.1 -21.9 25.9 97 100 A K H X S+ 0 0 131 -4,-3.4 4,-1.8 1,-0.2 6,-0.3 0.828 109.5 51.0 -63.4 -33.0 24.0 -20.5 29.4 98 101 A G H <>S+ 0 0 4 -4,-1.9 5,-1.2 -5,-0.2 4,-0.4 0.883 108.0 51.1 -72.9 -40.8 20.8 -22.0 30.8 99 102 A T H ><5S+ 0 0 81 -4,-2.0 3,-0.9 3,-0.2 -2,-0.2 0.950 113.0 44.9 -58.7 -52.5 21.5 -25.5 29.4 100 103 A K H 3<5S+ 0 0 71 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.945 116.8 42.2 -59.9 -53.3 25.0 -25.6 30.8 101 104 A E T 3<5S- 0 0 134 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.373 105.3-127.1 -81.7 6.2 24.3 -24.3 34.3 102 105 A R T < 5 + 0 0 224 -3,-0.9 2,-0.5 -4,-0.4 -3,-0.2 0.731 64.7 135.0 57.2 25.8 21.1 -26.5 34.4 103 106 A Q < - 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