==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-FEB-11 3QUD . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GRUETTER,D.RAUH . 345 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 23 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 4 1 0 0 1 0 1 0 1 1 0 1 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 1 2 0 1 2 0 1 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 . 1 0 1 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 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 E 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.0 -24.1 6.6 -5.6 2 5 A R - 0 0 97 1,-0.1 89,-0.0 89,-0.0 0, 0.0 -0.431 360.0-129.1 -61.2 121.8 -23.9 3.6 -7.9 3 6 A P - 0 0 63 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.122 23.1-101.1 -67.7 168.8 -23.5 4.8 -11.5 4 7 A T - 0 0 80 2,-0.0 15,-2.4 1,-0.0 2,-0.2 -0.817 39.8-150.4 -97.9 132.8 -25.6 3.6 -14.4 5 8 A F E -A 18 0A 27 -2,-0.5 2,-0.3 13,-0.2 11,-0.0 -0.625 8.0-157.9-103.2 154.9 -24.0 1.0 -16.6 6 9 A Y E -A 17 0A 55 11,-2.5 11,-1.7 -2,-0.2 2,-0.3 -0.986 10.5-136.4-134.0 152.3 -24.4 0.2 -20.3 7 10 A R E +A 16 0A 177 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.798 26.5 155.2-107.9 145.0 -23.7 -3.0 -22.3 8 11 A Q E -A 15 0A 57 7,-1.6 7,-3.3 -2,-0.3 2,-0.5 -0.969 36.5-118.3-155.6 159.9 -22.0 -3.6 -25.6 9 12 A E E +A 14 0A 134 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.888 28.9 177.8-103.8 130.2 -20.2 -6.4 -27.4 10 13 A L E > -A 13 0A 26 3,-3.6 3,-1.4 -2,-0.5 -2,-0.0 -0.982 68.5 -18.8-134.5 122.1 -16.5 -5.9 -28.5 11 14 A N T 3 S- 0 0 117 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.927 128.0 -48.0 42.5 60.1 -14.4 -8.6 -30.2 12 15 A K T 3 S+ 0 0 202 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.557 122.2 103.3 65.6 10.3 -16.7 -11.5 -29.0 13 16 A T E < S-A 10 0A 35 -3,-1.4 -3,-3.6 2,-0.0 2,-0.5 -0.967 70.0-123.0-128.1 145.1 -16.7 -10.2 -25.5 14 17 A I E -A 9 0A 74 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.698 20.9-163.1 -87.6 125.1 -19.2 -8.2 -23.4 15 18 A W E -A 8 0A 5 -7,-3.3 -7,-1.6 -2,-0.5 2,-0.6 -0.951 8.0-178.3-110.7 120.3 -18.3 -4.8 -21.9 16 19 A E E +A 7 0A 44 -2,-0.5 -9,-0.2 -9,-0.2 -2,-0.0 -0.900 21.5 155.2-116.4 100.4 -20.4 -3.4 -19.1 17 20 A V E -A 6 0A 1 -11,-1.7 -11,-2.5 -2,-0.6 -2,-0.0 -0.821 46.7 -88.4-125.8 160.3 -19.1 0.0 -18.1 18 21 A P E > -A 5 0A 3 0, 0.0 3,-1.9 0, 0.0 -13,-0.2 -0.352 41.7-111.6 -64.8 152.5 -20.5 3.2 -16.5 19 22 A E T 3 S+ 0 0 101 -15,-2.4 22,-0.2 1,-0.3 -14,-0.1 0.721 109.5 77.4 -54.2 -28.9 -22.0 5.8 -18.8 20 23 A R T 3 S+ 0 0 55 -16,-0.2 21,-3.1 20,-0.1 2,-0.6 0.764 83.9 72.6 -57.1 -24.0 -19.1 8.2 -18.0 21 24 A Y E < S+B 40 0B 0 -3,-1.9 2,-0.3 19,-0.2 19,-0.2 -0.838 70.8 176.3 -99.1 115.0 -16.9 6.2 -20.4 22 25 A Q E +B 39 0B 75 17,-3.1 17,-3.7 -2,-0.6 -2,-0.0 -0.801 47.1 25.6-121.7 159.4 -17.8 6.7 -24.0 23 26 A N E S- 0 0 128 -2,-0.3 -1,-0.2 15,-0.2 2,-0.1 0.884 71.0-161.0 59.3 47.1 -16.6 5.7 -27.5 24 27 A L E + 0 0 14 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.391 13.7 177.9 -59.9 128.2 -15.0 2.4 -26.4 25 28 A S E -B 37 0B 64 12,-2.7 12,-3.8 -2,-0.1 -15,-0.0 -0.969 29.8-117.8-141.0 119.0 -12.5 1.3 -29.0 26 29 A P E +B 36 0B 39 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.242 31.7 171.2 -58.5 137.9 -10.3 -1.8 -28.7 27 30 A V E - 0 0 42 8,-2.5 145,-0.9 1,-0.4 2,-0.3 0.482 57.7 -72.1-117.9 -16.5 -6.5 -1.1 -28.8 28 31 A G E -BC 35 171B 4 7,-1.5 7,-3.5 143,-0.3 -1,-0.4 -0.949 41.3-116.8 154.4-171.5 -5.4 -4.6 -27.9 29 32 A S E -BC 34 170B 44 141,-2.1 141,-2.0 -2,-0.3 140,-1.5 -0.956 11.2-167.2-155.8 171.1 -5.0 -7.3 -25.3 30 33 A G - 0 0 27 3,-2.5 3,-0.3 -2,-0.3 138,-0.1 -0.734 52.8 -67.6-144.6-164.2 -2.7 -9.5 -23.3 31 34 A A S S+ 0 0 75 -2,-0.2 3,-0.1 1,-0.2 137,-0.1 0.767 127.6 39.9 -65.1 -26.0 -2.7 -12.6 -21.2 32 35 A Y S S- 0 0 76 1,-0.2 21,-2.5 20,-0.1 2,-0.3 0.552 122.9 -29.8-111.7 -7.2 -4.7 -11.0 -18.4 33 36 A G E - D 0 52B 2 -3,-0.3 -3,-2.5 19,-0.3 2,-0.3 -0.975 58.3 -91.9 176.1-178.2 -7.3 -8.9 -20.1 34 37 A S E -BD 29 51B 36 17,-2.0 17,-2.5 -2,-0.3 2,-0.4 -0.873 32.6-143.2-116.3 151.1 -8.4 -6.7 -23.1 35 38 A V E -BD 28 50B 21 -7,-3.5 -8,-2.5 -2,-0.3 -7,-1.5 -0.931 13.6-174.0-124.2 136.9 -8.0 -3.0 -23.4 36 39 A C E -BD 26 49B 1 13,-2.4 13,-3.1 -2,-0.4 2,-0.3 -0.966 23.1-129.4-123.8 142.4 -10.2 -0.3 -25.0 37 40 A A E +BD 25 48B 17 -12,-3.8 -12,-2.7 -2,-0.4 2,-0.3 -0.695 38.7 172.8 -80.5 144.4 -9.6 3.4 -25.5 38 41 A A E - D 0 47B 5 9,-1.9 9,-2.8 -2,-0.3 2,-0.5 -0.983 36.4-114.6-148.8 160.5 -12.4 5.5 -24.2 39 42 A F E -BD 22 46B 78 -17,-3.7 -17,-3.1 -2,-0.3 2,-0.9 -0.876 26.1-145.8 -95.1 125.2 -13.5 9.1 -23.6 40 43 A D E >>> -BD 21 45B 1 5,-2.8 4,-3.3 -2,-0.5 3,-1.3 -0.787 8.7-166.0 -96.3 98.4 -14.0 9.9 -19.9 41 44 A T T 345S+ 0 0 76 -21,-3.1 -1,-0.2 -2,-0.9 -20,-0.1 0.689 83.3 63.0 -60.7 -20.7 -16.9 12.4 -19.8 42 45 A K T 345S+ 0 0 143 -22,-0.3 -1,-0.3 1,-0.1 -21,-0.1 0.872 123.9 14.2 -70.4 -37.2 -16.0 13.3 -16.1 43 46 A T T <45S- 0 0 49 -3,-1.3 -2,-0.2 2,-0.2 -1,-0.1 0.619 94.4-126.3-111.6 -22.8 -12.5 14.7 -17.0 44 47 A G T <5S+ 0 0 39 -4,-3.3 2,-0.2 1,-0.3 -3,-0.2 0.578 71.0 122.5 77.4 10.7 -12.7 15.1 -20.8 45 48 A L E < -D 40 0B 92 -5,-0.6 -5,-2.8 -6,-0.0 2,-0.4 -0.651 68.1-109.3-100.0 161.4 -9.5 13.0 -21.1 46 49 A R E -D 39 0B 155 -2,-0.2 59,-2.3 -7,-0.2 2,-0.3 -0.735 40.4-170.8 -90.3 136.9 -9.0 9.8 -23.0 47 50 A V E -DE 38 104B 0 -9,-2.8 -9,-1.9 -2,-0.4 2,-0.5 -0.781 25.0-124.5-125.0 162.8 -8.5 6.7 -20.9 48 51 A A E -DE 37 103B 15 55,-3.3 55,-2.3 -2,-0.3 2,-0.6 -0.969 25.0-162.6-107.1 126.6 -7.5 3.1 -21.2 49 52 A V E -DE 36 102B 0 -13,-3.1 -13,-2.4 -2,-0.5 2,-0.5 -0.957 2.8-164.6-114.1 118.9 -10.1 0.6 -19.8 50 53 A K E -DE 35 101B 26 51,-2.7 51,-2.5 -2,-0.6 2,-0.7 -0.900 6.6-159.6-104.2 120.4 -8.9 -2.9 -19.2 51 54 A K E -DE 34 100B 31 -17,-2.5 -17,-2.0 -2,-0.5 49,-0.2 -0.892 24.6-130.9 -94.0 116.5 -11.4 -5.7 -18.7 52 55 A L E -D 33 0B 8 47,-2.5 2,-0.5 -2,-0.7 47,-0.3 -0.390 20.4-122.6 -65.2 142.8 -9.6 -8.6 -16.8 53 56 A S S S- 0 0 49 -21,-2.5 4,-0.2 1,-0.3 -1,-0.1 -0.779 79.1 -23.0 -93.9 130.5 -10.2 -11.9 -18.4 54 57 A R S > S- 0 0 169 -2,-0.5 3,-1.2 1,-0.1 -1,-0.3 0.858 75.5-175.4 37.0 63.8 -11.7 -14.6 -16.2 55 58 A P T 3 S+ 0 0 6 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.737 77.1 30.9 -61.6 -28.9 -10.5 -12.9 -13.0 56 59 A F T 3 S+ 0 0 16 41,-0.3 -2,-0.1 1,-0.1 274,-0.1 -0.170 80.1 120.0-125.9 40.7 -11.7 -15.6 -10.6 57 60 A Q S < S+ 0 0 100 -3,-1.2 2,-0.2 -4,-0.2 -1,-0.1 0.850 83.2 2.5 -74.7 -39.6 -11.3 -18.7 -12.8 58 61 A S S > S- 0 0 42 -4,-0.2 4,-2.1 -3,-0.1 5,-0.1 -0.779 82.5 -96.4-135.2 175.9 -8.9 -20.5 -10.5 59 62 A I H > S+ 0 0 88 -2,-0.2 4,-2.0 2,-0.2 5,-0.2 0.896 126.8 50.2 -60.0 -39.2 -7.2 -19.9 -7.1 60 63 A I H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 110.0 46.5 -70.5 -42.6 -4.2 -18.6 -9.2 61 64 A H H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.918 113.2 51.7 -61.7 -46.2 -6.2 -16.2 -11.4 62 65 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.885 112.3 43.9 -57.8 -42.7 -8.0 -14.9 -8.2 63 66 A K H X S+ 0 0 27 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.864 113.3 52.4 -72.8 -37.2 -4.8 -14.3 -6.4 64 67 A R H X S+ 0 0 55 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.869 109.2 49.5 -64.2 -43.7 -3.3 -12.7 -9.6 65 68 A T H X S+ 0 0 9 -4,-2.8 4,-2.7 -10,-0.4 5,-0.2 0.953 113.2 46.8 -54.2 -53.7 -6.4 -10.3 -9.9 66 69 A Y H X S+ 0 0 17 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.883 112.4 50.6 -59.2 -44.7 -6.0 -9.3 -6.2 67 70 A R H X S+ 0 0 89 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.897 111.3 47.3 -60.2 -47.4 -2.3 -8.8 -6.7 68 71 A E H X S+ 0 0 10 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.950 114.6 46.1 -63.3 -46.5 -2.8 -6.6 -9.7 69 72 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.932 113.7 48.1 -62.8 -44.1 -5.5 -4.5 -8.0 70 73 A R H X S+ 0 0 43 -4,-2.6 4,-0.9 -5,-0.2 -1,-0.2 0.919 115.1 46.3 -64.3 -43.5 -3.5 -4.1 -4.8 71 74 A L H >X S+ 0 0 33 -4,-2.4 4,-1.4 1,-0.2 3,-0.9 0.936 112.5 48.2 -60.3 -51.0 -0.4 -3.1 -6.8 72 75 A L H 3< S+ 0 0 4 -4,-3.0 11,-0.7 1,-0.3 -2,-0.2 0.802 107.4 56.9 -67.2 -27.6 -2.2 -0.6 -9.1 73 76 A K H 3< S+ 0 0 37 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.748 108.8 47.5 -70.4 -26.5 -3.9 1.1 -6.1 74 77 A H H << S+ 0 0 43 -4,-0.9 2,-0.4 -3,-0.9 239,-0.2 0.756 87.4 97.3 -85.3 -29.5 -0.6 1.8 -4.5 75 78 A M < + 0 0 7 -4,-1.4 8,-0.5 6,-0.1 2,-0.2 -0.522 37.4 157.6 -72.4 120.3 1.3 3.3 -7.5 76 79 A K + 0 0 145 -2,-0.4 2,-0.3 6,-0.1 6,-0.1 -0.665 29.7 110.2-142.5 80.9 1.2 7.1 -7.5 77 80 A H > - 0 0 21 3,-0.5 3,-1.6 -2,-0.2 57,-0.0 -0.984 70.0-118.6-156.8 144.5 4.1 8.4 -9.7 78 81 A E T 3 S+ 0 0 134 -2,-0.3 4,-0.1 1,-0.3 56,-0.1 0.720 113.2 44.6 -62.6 -26.5 4.2 10.2 -13.0 79 82 A N T 3 S+ 0 0 6 83,-0.1 84,-2.7 2,-0.1 2,-0.4 0.172 104.9 72.9-107.4 18.4 6.3 7.5 -14.7 80 83 A V B < S-g 163 0C 6 -3,-1.6 -3,-0.5 82,-0.3 84,-0.2 -0.988 94.2 -95.2-130.8 138.5 4.3 4.5 -13.4 81 84 A I - 0 0 16 82,-2.7 2,-0.3 -2,-0.4 -6,-0.1 -0.279 47.0-165.2 -49.9 130.0 0.8 3.3 -14.4 82 85 A G - 0 0 18 -4,-0.1 2,-0.7 -6,-0.1 22,-0.3 -0.883 20.0-113.5-123.7 153.9 -1.8 4.8 -12.0 83 86 A L + 0 0 14 -11,-0.7 20,-0.2 -8,-0.5 3,-0.1 -0.799 28.3 172.6 -94.3 114.4 -5.5 4.0 -11.3 84 87 A L S S- 0 0 30 18,-2.9 2,-0.3 -2,-0.7 19,-0.2 0.803 74.8 -11.4 -77.7 -34.1 -8.1 6.6 -12.3 85 88 A D E -F 102 0B 25 17,-1.2 17,-2.7 257,-0.1 2,-0.3 -0.987 50.6-161.3-163.6 151.1 -10.9 4.2 -11.5 86 89 A V E +F 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.968 27.2 165.3-139.3 132.1 -11.8 0.5 -10.8 87 90 A F E -F 100 0B 13 13,-1.9 13,-2.4 -2,-0.3 -2,-0.0 -0.968 24.2-164.5-145.8 160.1 -15.3 -0.8 -11.2 88 91 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.984 26.9-133.9-138.5 144.6 -17.5 -3.8 -11.5 89 92 A P S S+ 0 0 16 0, 0.0 2,-0.1 0, 0.0 -84,-0.1 0.620 76.0 108.9 -74.3 -6.7 -21.1 -4.0 -12.8 90 93 A A - 0 0 12 8,-0.3 -2,-0.2 1,-0.1 6,-0.1 -0.392 57.1-157.5 -70.1 143.0 -22.0 -6.2 -9.7 91 94 A R S S+ 0 0 174 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.525 76.7 11.7 -94.4 -9.2 -24.2 -4.8 -6.8 92 95 A S S S- 0 0 34 1,-0.1 3,-0.3 0, 0.0 4,-0.1 -0.949 83.2 -96.7-156.6 171.4 -22.9 -7.3 -4.2 93 96 A L S > S+ 0 0 54 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.895 114.5 64.5 -62.2 -40.6 -20.2 -9.9 -3.5 94 97 A E T 3 S+ 0 0 160 1,-0.3 -1,-0.2 -3,-0.1 -4,-0.0 0.843 111.4 34.7 -58.9 -36.3 -22.5 -12.8 -4.5 95 98 A E T 3 S+ 0 0 102 -3,-0.3 2,-0.8 3,-0.0 -1,-0.3 0.232 85.9 128.6 -99.3 13.4 -22.7 -11.6 -8.1 96 99 A F < + 0 0 0 -3,-1.9 3,-0.1 1,-0.2 238,-0.1 -0.573 17.9 127.9 -74.8 107.9 -19.1 -10.2 -8.3 97 100 A N + 0 0 90 -2,-0.8 2,-0.4 1,-0.2 -41,-0.3 0.515 53.0 62.1-136.1 -14.1 -17.5 -11.8 -11.4 98 101 A D - 0 0 53 -3,-0.2 2,-0.4 -44,-0.1 -8,-0.3 -0.943 52.7-168.9-125.3 143.8 -16.0 -9.0 -13.6 99 102 A V - 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