==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-OCT-11 4A4X . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAS-DROUX,R.BAYLISS . 253 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 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 . 40 15.8 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 . 1 0.4 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 0 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 0 2 2 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 84 0, 0.0 72,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 52.5 -2.5 9.4 20.0 2 4 A R > - 0 0 125 70,-0.1 3,-5.0 1,-0.1 4,-0.4 -0.999 360.0-115.8-139.8 136.8 -6.0 8.0 20.5 3 5 A A G > S+ 0 0 22 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.746 115.2 69.6 -38.4 -29.3 -7.7 4.9 19.0 4 6 A E G 3 S+ 0 0 137 1,-0.2 -1,-0.3 3,-0.1 22,-0.0 0.729 86.1 67.6 -64.9 -21.0 -10.1 7.5 17.4 5 7 A D G < S+ 0 0 52 -3,-5.0 21,-2.7 20,-0.1 22,-0.4 0.669 101.7 50.7 -72.0 -19.0 -7.1 8.6 15.2 6 8 A Y E < S-A 25 0A 18 -3,-1.4 2,-0.5 -4,-0.4 19,-0.2 -0.855 72.1-140.3-120.0 154.1 -7.1 5.3 13.3 7 9 A E E -A 24 0A 99 17,-2.6 17,-2.2 -2,-0.3 2,-0.5 -0.960 19.8-127.9-114.5 131.9 -9.7 3.3 11.5 8 10 A V E +A 23 0A 62 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.617 24.1 178.6 -76.7 124.0 -9.8 -0.5 11.7 9 11 A L E - 0 0 68 13,-2.5 2,-0.3 -2,-0.5 14,-0.2 0.888 60.0 -52.2 -86.0 -51.9 -10.0 -2.1 8.3 10 12 A Y E -A 22 0A 122 12,-1.6 12,-2.7 0, 0.0 -1,-0.3 -0.980 57.2 -77.6-179.0 174.5 -9.9 -5.8 9.4 11 13 A T E +A 21 0A 58 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.628 27.5 176.5 -94.1 139.6 -8.2 -8.4 11.5 12 14 A I E + 0 0 94 8,-3.7 2,-0.3 1,-0.4 9,-0.2 0.720 68.2 7.1-105.3 -37.5 -5.0 -10.2 10.4 13 15 A G E -A 20 0A 19 7,-1.8 7,-3.2 0, 0.0 -1,-0.4 -0.997 56.2-155.6-151.3 151.2 -4.3 -12.4 13.4 14 16 A T E +A 19 0A 104 -2,-0.3 5,-0.3 5,-0.2 3,-0.1 -0.969 30.0 141.5-132.1 147.8 -5.7 -13.5 16.7 15 17 A G - 0 0 32 3,-2.6 2,-0.1 1,-0.4 5,-0.0 -0.263 66.6 -76.7-112.7-164.0 -4.1 -14.8 19.9 16 18 A S S S+ 0 0 126 -2,-0.1 -1,-0.4 3,-0.0 0, 0.0 0.571 124.0 43.5 69.7-147.6 -3.0 -15.7 22.4 17 19 A Y S S- 0 0 114 -3,-0.1 21,-0.4 -2,-0.1 2,-0.1 0.792 122.5 -99.9 -22.3 -61.1 -1.4 -12.3 22.8 18 20 A G - 0 0 22 19,-0.1 -3,-2.6 2,-0.0 2,-0.3 -0.453 62.4 -35.4 170.0 -89.2 -4.6 -10.7 21.7 19 21 A R E -AB 14 36A 84 17,-1.2 17,-4.0 -5,-0.3 2,-0.5 -0.957 34.0-148.5-169.6 139.9 -5.2 -9.5 18.1 20 22 A C E -AB 13 35A 27 -7,-3.2 -8,-3.7 -2,-0.3 -7,-1.8 -0.971 22.9-175.2-121.3 128.4 -3.5 -7.8 15.1 21 23 A Q E -AB 11 34A 10 13,-2.3 13,-1.8 -2,-0.5 2,-0.5 -0.927 29.1-126.2-129.3 145.0 -5.4 -5.6 12.8 22 24 A K E +AB 10 33A 36 -12,-2.7 -13,-2.5 -2,-0.4 -12,-1.6 -0.749 44.0 174.0 -82.9 127.0 -4.8 -3.7 9.6 23 25 A I E -AB 8 32A 0 9,-2.6 9,-3.1 -2,-0.5 2,-0.4 -0.841 26.6-133.7-132.9 168.6 -5.7 -0.1 10.2 24 26 A R E -AB 7 31A 110 -17,-2.2 -17,-2.6 -2,-0.3 2,-0.4 -0.989 20.7-125.0-131.9 127.6 -5.5 3.3 8.5 25 27 A R E > -A 6 0A 58 5,-2.9 4,-2.9 -2,-0.4 3,-0.5 -0.604 17.3-149.0 -74.5 127.6 -4.3 6.6 10.0 26 28 A K T 4 S+ 0 0 129 -21,-2.7 -1,-0.1 -2,-0.4 -20,-0.1 0.835 88.7 62.8 -71.2 -35.3 -7.1 9.2 9.5 27 29 A S T 4 S- 0 0 103 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.844 131.2 -2.8 -57.2 -38.6 -4.8 12.2 9.2 28 30 A D T 4 S- 0 0 93 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.569 92.9-111.1-133.3 -18.6 -3.2 11.0 6.0 29 31 A G < + 0 0 35 -4,-2.9 -3,-0.2 1,-0.3 2,-0.1 0.577 54.3 163.9 92.7 11.8 -4.5 7.6 5.1 30 32 A K - 0 0 89 -5,-0.3 -5,-2.9 -6,-0.1 2,-0.5 -0.412 38.0-124.9 -67.0 137.0 -1.3 5.7 5.8 31 33 A I E +B 24 0A 56 -7,-0.2 55,-0.7 -2,-0.1 -7,-0.2 -0.717 46.0 150.8 -86.6 123.4 -1.8 1.9 6.1 32 34 A L E -BC 23 85A 0 -9,-3.1 -9,-2.6 -2,-0.5 2,-0.3 -0.712 33.4-132.1-133.8-174.8 -0.5 0.5 9.4 33 35 A V E -BC 22 84A 13 51,-2.6 51,-3.7 -11,-0.3 2,-0.4 -0.974 12.9-158.0-138.7 158.9 -1.3 -2.3 11.8 34 36 A W E -BC 21 83A 9 -13,-1.8 -13,-2.3 -2,-0.3 2,-0.5 -0.994 15.7-131.4-136.7 142.5 -1.7 -2.4 15.5 35 37 A K E -BC 20 82A 44 47,-2.9 47,-2.3 -2,-0.4 2,-0.4 -0.807 23.9-144.5 -86.0 129.7 -1.4 -5.2 18.1 36 38 A E E +BC 19 81A 33 -17,-4.0 -17,-1.2 -2,-0.5 2,-0.3 -0.794 20.9 176.3 -93.7 136.1 -4.3 -5.4 20.6 37 39 A L E - C 0 80A 21 43,-1.6 43,-3.6 -2,-0.4 2,-0.9 -0.935 22.3-149.2-145.1 120.2 -3.7 -6.4 24.2 38 40 A D E + C 0 79A 103 -21,-0.4 3,-0.4 -2,-0.3 41,-0.2 -0.785 17.7 176.7 -88.8 107.0 -6.2 -6.5 27.0 39 41 A Y > + 0 0 32 39,-2.0 3,-2.2 -2,-0.9 40,-0.1 0.449 47.7 108.4 -91.7 0.4 -4.3 -5.7 30.2 40 42 A G T 3 S+ 0 0 46 38,-0.9 -1,-0.2 1,-0.3 38,-0.1 0.724 79.5 46.8 -49.7 -29.4 -7.4 -5.8 32.5 41 43 A S T 3 S+ 0 0 118 -3,-0.4 2,-0.3 37,-0.1 -1,-0.3 0.202 90.9 105.8-103.3 18.5 -6.4 -9.1 34.2 42 44 A M < - 0 0 68 -3,-2.2 -3,-0.0 1,-0.1 5,-0.0 -0.769 66.6-121.4-102.0 144.1 -2.7 -8.2 34.9 43 45 A T > - 0 0 81 -2,-0.3 4,-1.0 1,-0.1 -1,-0.1 0.094 35.9 -99.3 -64.6-176.4 -1.1 -7.3 38.2 44 46 A E H > S+ 0 0 169 2,-0.2 4,-1.5 3,-0.1 5,-0.1 0.883 122.6 50.7 -76.7 -37.5 0.7 -4.1 38.7 45 47 A A H >> S+ 0 0 70 2,-0.2 4,-3.0 1,-0.2 3,-1.0 0.980 108.4 49.7 -62.3 -59.7 4.1 -5.7 38.2 46 48 A E H 3> S+ 0 0 95 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.830 112.8 49.8 -46.9 -35.7 3.2 -7.4 34.9 47 49 A K H 3X S+ 0 0 86 -4,-1.0 4,-1.8 2,-0.2 -1,-0.3 0.788 109.6 49.3 -77.7 -28.1 1.9 -4.0 33.8 48 50 A Q H X S+ 0 0 81 -4,-2.6 3,-2.1 1,-0.2 4,-1.3 0.957 108.7 56.2 -60.4 -52.1 9.0 -3.7 27.2 54 56 A V H 3X S+ 0 0 7 -4,-2.5 4,-1.1 1,-0.3 -1,-0.2 0.794 100.0 59.7 -55.1 -31.2 7.1 -1.0 25.2 55 57 A N H 3< S+ 0 0 80 -4,-1.2 -1,-0.3 1,-0.2 4,-0.2 0.770 102.1 56.1 -69.0 -24.6 9.7 1.6 26.0 56 58 A L H XX S+ 0 0 80 -3,-2.1 3,-2.9 -4,-0.6 4,-1.1 0.965 101.3 53.1 -68.2 -57.1 12.2 -0.7 24.3 57 59 A L H 3< S+ 0 0 22 -4,-1.3 11,-0.4 1,-0.3 -2,-0.2 0.793 103.7 59.5 -48.1 -32.2 10.4 -0.8 21.0 58 60 A R T 3< S+ 0 0 124 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.675 102.7 55.1 -70.6 -16.4 10.3 3.0 21.0 59 61 A E T <4 S+ 0 0 156 -3,-2.9 2,-0.7 -4,-0.2 -2,-0.2 0.824 88.7 79.6 -89.9 -36.6 14.1 3.0 21.0 60 62 A L < + 0 0 17 -4,-1.1 2,-0.5 -3,-0.1 8,-0.5 -0.664 48.0 169.6 -81.5 114.9 15.0 0.9 18.0 61 63 A K + 0 0 67 -2,-0.7 5,-0.1 6,-0.1 6,-0.0 -0.986 20.9 135.2-120.8 120.1 14.8 2.6 14.7 62 64 A H > - 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