==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 16-JUN-11 3SHE . COMPND 2 MOLECULE: MAP KINASE-ACTIVATED PROTEIN KINASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.OUBRIE,B.KAZEMIER . 270 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13596.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 1 0.4 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 . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 31.9 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+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 1 0 2 1 0 0 1 0 0 1 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 2 1 0 1 0 2 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 33 A E 0 0 189 0, 0.0 2,-0.6 0, 0.0 70,-0.4 0.000 360.0 360.0 360.0 -17.8 1.6 10.1 -5.9 2 34 A P - 0 0 44 0, 0.0 70,-0.2 0, 0.0 2,-0.1 -0.711 360.0-120.5 -72.0 124.7 5.1 11.3 -5.2 3 35 A K B -a 72 0A 66 68,-2.9 70,-3.3 -2,-0.6 4,-0.1 -0.432 24.8-166.5 -69.0 137.8 4.8 15.1 -5.5 4 36 A K + 0 0 156 68,-0.2 -1,-0.1 -2,-0.1 2,-0.1 0.544 59.6 88.6-107.4 -10.9 7.2 16.5 -8.2 5 37 A Y S S- 0 0 99 1,-0.1 68,-0.2 69,-0.1 2,-0.1 -0.397 98.6 -67.2 -78.1 165.9 7.0 20.2 -7.4 6 38 A A > - 0 0 37 1,-0.1 3,-1.9 -2,-0.1 4,-0.5 -0.317 33.8-140.2 -63.9 130.8 9.5 21.7 -4.8 7 39 A V G >> S+ 0 0 9 1,-0.3 4,-2.4 2,-0.2 3,-1.4 0.830 101.8 65.7 -54.8 -35.4 9.1 20.5 -1.2 8 40 A T G 34 S+ 0 0 65 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.589 87.3 68.4 -69.9 -11.5 9.8 24.0 -0.1 9 41 A D G <4 S+ 0 0 101 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.808 116.9 25.0 -67.5 -32.9 6.6 25.2 -1.7 10 42 A D T <4 S+ 0 0 25 -3,-1.4 22,-2.5 -4,-0.5 2,-0.4 0.700 125.7 47.5-102.4 -27.7 4.8 23.2 1.0 11 43 A Y E < -B 31 0A 3 -4,-2.4 2,-0.7 20,-0.2 20,-0.2 -0.940 63.9-141.0-127.2 140.4 7.4 23.1 3.8 12 44 A Q E -B 30 0A 113 18,-2.9 18,-2.0 -2,-0.4 2,-0.1 -0.886 32.1-144.6 -93.2 115.0 9.6 25.6 5.5 13 45 A L E -B 29 0A 71 -2,-0.7 2,-0.3 16,-0.2 16,-0.2 -0.469 12.9-161.9 -81.5 153.3 12.9 23.8 6.1 14 46 A S E - 0 0 41 14,-1.5 -1,-0.0 2,-0.2 14,-0.0 -0.772 26.8-122.8-122.7 171.1 15.1 24.4 9.2 15 47 A K E S+ 0 0 157 -2,-0.3 2,-0.5 12,-0.1 14,-0.1 0.096 73.5 115.1-105.1 22.5 18.8 23.6 9.8 16 48 A Q E - 0 0 109 12,-0.2 12,-1.8 2,-0.0 2,-0.4 -0.810 54.2-151.4 -91.5 130.2 18.1 21.3 12.9 17 49 A V E -B 27 0A 71 -2,-0.5 10,-0.3 10,-0.2 3,-0.1 -0.882 17.6-172.8-106.1 131.3 19.1 17.7 12.4 18 50 A L E - 0 0 81 8,-3.2 2,-0.3 -2,-0.4 9,-0.2 0.852 61.9 -64.2 -86.0 -41.4 17.3 14.8 14.2 19 51 A G E -B 26 0A 30 7,-0.9 7,-1.6 2,-0.0 2,-0.6 -0.928 48.5 -71.5 167.2 175.5 19.7 12.1 13.0 20 52 A L E -B 25 0A 154 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.763 27.9-173.2 -97.4 119.2 21.4 9.9 10.3 21 53 A G E > -B 24 0A 5 3,-2.7 2,-3.2 -2,-0.6 3,-1.2 -0.459 45.7-108.3-109.9 58.8 19.4 7.2 8.6 22 54 A V T 3 S+ 0 0 95 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 -0.209 118.2 37.0 58.1 -68.1 21.9 5.3 6.5 23 55 A N T 3 S+ 0 0 45 -2,-3.2 21,-0.4 1,-0.2 2,-0.3 0.891 129.0 7.3 -72.6 -45.3 20.5 6.7 3.2 24 56 A G E < -B 21 0A 7 -3,-1.2 -3,-2.7 19,-0.1 -1,-0.2 -0.980 65.7-110.8-149.1 152.0 19.7 10.2 4.6 25 57 A K E -B 20 0A 98 -2,-0.3 17,-1.7 -5,-0.2 2,-0.5 -0.387 34.7-129.0 -71.5 156.6 19.8 12.8 7.3 26 58 A V E -BC 19 41A 25 -7,-1.6 -8,-3.2 15,-0.2 -7,-0.9 -0.961 27.8-175.0-116.3 123.3 16.6 13.7 9.1 27 59 A L E -BC 17 40A 15 13,-2.9 13,-3.3 -2,-0.5 -10,-0.2 -0.840 25.6-115.2-117.4 151.6 15.7 17.4 9.4 28 60 A E E + C 0 39A 35 -12,-1.8 -14,-1.5 -2,-0.3 2,-0.3 -0.551 40.5 168.0 -74.7 147.2 12.9 19.4 11.1 29 61 A C E -BC 13 38A 0 9,-2.3 9,-3.5 -16,-0.2 2,-0.4 -0.963 26.3-132.1-153.0 169.4 10.5 21.3 8.9 30 62 A F E -BC 12 37A 66 -18,-2.0 -18,-2.9 -2,-0.3 7,-0.2 -0.991 21.3-121.9-131.3 126.6 7.1 23.1 9.2 31 63 A H E -B 11 0A 44 5,-2.4 -20,-0.2 -2,-0.4 -21,-0.1 -0.420 23.0-141.3 -62.2 140.3 4.1 22.7 7.0 32 64 A R S S+ 0 0 124 -22,-2.5 -1,-0.1 1,-0.1 -21,-0.1 0.844 93.7 39.8 -80.4 -36.5 3.3 26.1 5.6 33 65 A R S S+ 0 0 224 -23,-0.3 -1,-0.1 3,-0.0 2,-0.1 0.975 125.0 34.3 -76.2 -61.8 -0.6 26.1 5.7 34 66 A T S S- 0 0 89 1,-0.1 -4,-0.0 2,-0.1 0, 0.0 -0.345 86.8-125.7 -76.2 170.5 -0.9 24.4 9.1 35 67 A G + 0 0 63 -2,-0.1 -1,-0.1 -5,-0.1 -3,-0.0 0.611 59.6 140.9 -89.0 -11.2 1.8 25.1 11.7 36 68 A Q - 0 0 93 -6,-0.2 -5,-2.4 1,-0.1 2,-0.3 0.081 49.3-133.9 -49.6 129.9 2.7 21.5 12.3 37 69 A K E +C 30 0A 58 -7,-0.2 51,-0.8 51,-0.1 2,-0.3 -0.664 32.8 179.2 -77.0 138.4 6.3 20.6 12.8 38 70 A C E -CD 29 87A 1 -9,-3.5 -9,-2.3 -2,-0.3 2,-0.4 -0.856 27.4-116.0-136.7 166.2 7.3 17.6 10.7 39 71 A A E -CD 28 86A 7 47,-2.6 47,-3.4 -2,-0.3 2,-0.5 -0.900 23.5-157.2-109.1 137.7 10.4 15.5 10.0 40 72 A L E -CD 27 85A 3 -13,-3.3 -13,-2.9 -2,-0.4 2,-0.6 -0.968 2.6-163.3-120.1 124.7 12.0 15.3 6.6 41 73 A K E -CD 26 84A 9 43,-3.0 43,-2.7 -2,-0.5 2,-0.5 -0.940 9.5-153.0-109.8 116.2 14.2 12.4 5.4 42 74 A L E + D 0 83A 16 -17,-1.7 2,-0.4 -2,-0.6 41,-0.2 -0.795 16.5 178.3 -89.7 122.8 16.4 13.2 2.3 43 75 A L E - D 0 82A 0 39,-3.1 39,-3.4 -2,-0.5 2,-0.3 -0.992 28.7-127.5-123.4 131.4 17.3 10.1 0.2 44 76 A Y E - D 0 81A 105 -2,-0.4 37,-0.3 -21,-0.4 5,-0.2 -0.609 45.9 -95.1 -74.3 136.8 19.3 10.3 -3.0 45 77 A D + 0 0 59 35,-2.2 35,-0.1 -2,-0.3 -1,-0.1 -0.330 69.2 130.1 -64.9 127.9 17.4 8.4 -5.7 46 78 A S S > S- 0 0 41 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.951 71.5 -94.4-163.8 163.0 18.4 4.8 -6.1 47 79 A P H > S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.951 126.6 49.8 -51.5 -49.5 16.7 1.4 -6.3 48 80 A K H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.900 110.1 48.9 -54.5 -48.6 17.2 1.0 -2.6 49 81 A A H > S+ 0 0 0 -5,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.843 110.5 52.0 -62.9 -34.3 15.8 4.4 -1.7 50 82 A R H X S+ 0 0 89 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.858 107.7 51.8 -69.5 -37.0 12.8 3.7 -3.9 51 83 A Q H X S+ 0 0 78 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.884 108.3 52.6 -64.8 -39.1 12.3 0.4 -2.0 52 84 A E H X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.954 110.4 45.3 -61.7 -52.3 12.4 2.2 1.3 53 85 A V H X S+ 0 0 13 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.905 114.9 50.5 -57.6 -41.7 9.7 4.8 0.3 54 86 A D H X S+ 0 0 88 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.936 114.1 42.4 -60.4 -49.8 7.6 1.9 -1.1 55 87 A H H X S+ 0 0 13 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.874 115.3 49.8 -69.1 -37.0 7.9 -0.2 2.1 56 88 A H H X S+ 0 0 2 -4,-3.1 4,-2.6 -5,-0.2 12,-0.2 0.915 109.7 50.3 -67.6 -44.8 7.4 2.8 4.4 57 89 A W H < S+ 0 0 89 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.961 112.3 48.5 -54.7 -53.5 4.2 3.9 2.4 58 90 A Q H < S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 116.5 42.5 -53.3 -43.1 2.9 0.4 2.7 59 91 A A H >< S+ 0 0 0 -4,-2.0 3,-2.3 -5,-0.1 -1,-0.2 0.787 90.4 101.4 -74.4 -31.6 3.6 0.3 6.5 60 92 A S T 3< S+ 0 0 26 -4,-2.6 7,-0.1 1,-0.3 6,-0.1 -0.408 80.3 36.9 -61.2 124.6 2.4 3.8 7.1 61 93 A G T 3 S+ 0 0 65 1,-0.5 -1,-0.3 4,-0.3 -2,-0.1 -0.069 90.9 111.8 117.2 -30.4 -1.1 3.5 8.6 62 94 A G S X S- 0 0 7 -3,-2.3 3,-0.8 1,-0.1 -1,-0.5 -0.206 80.6 -80.6 -68.8 165.7 -0.4 0.4 10.7 63 95 A P T 3 S+ 0 0 62 0, 0.0 58,-0.2 0, 0.0 -1,-0.1 -0.497 108.7 5.6 -73.5 137.9 -0.3 0.6 14.5 64 96 A H T 3 S+ 0 0 39 1,-0.2 86,-2.0 -2,-0.2 2,-0.4 0.842 98.0 122.2 59.7 40.4 2.8 1.9 16.2 65 97 A I B < S-f 150 0B 1 -3,-0.8 -4,-0.3 84,-0.3 2,-0.3 -0.994 71.3-108.4-129.0 136.5 4.6 2.9 13.0 66 98 A V - 0 0 1 84,-2.2 2,-0.2 -2,-0.4 -4,-0.1 -0.484 42.6-126.2 -66.1 124.7 5.7 6.4 12.2 67 99 A C - 0 0 37 -2,-0.3 20,-2.0 -7,-0.1 2,-0.3 -0.532 7.6-133.6 -81.8 137.9 3.4 7.8 9.5 68 100 A I E - E 0 86A 10 -12,-0.2 18,-0.3 -2,-0.2 3,-0.1 -0.696 18.5-175.4 -78.3 139.9 4.5 9.3 6.2 69 101 A L E - 0 0 60 16,-3.8 2,-0.3 1,-0.5 17,-0.2 0.791 64.6 -15.3-101.3 -47.1 2.7 12.6 5.4 70 102 A D E - E 0 85A 25 15,-1.2 15,-2.7 2,-0.0 -1,-0.5 -0.957 54.0-144.0-151.0 159.9 4.0 13.3 1.8 71 103 A V E - E 0 84A 3 -70,-0.4 -68,-2.9 -2,-0.3 2,-0.4 -0.998 17.2-162.9-130.0 133.3 6.8 12.1 -0.5 72 104 A Y E -aE 3 83A 0 11,-2.4 11,-2.7 -2,-0.4 2,-0.6 -0.925 14.4-154.4-117.7 140.3 8.5 14.5 -2.9 73 105 A E E + E 0 82A 27 -70,-3.3 2,-0.2 -2,-0.4 9,-0.2 -0.944 39.9 156.5-109.4 104.3 10.7 13.8 -5.9 74 106 A N E - E 0 81A 21 7,-2.1 7,-3.1 -2,-0.6 2,-0.4 -0.761 45.5-115.9-125.2 165.7 13.0 16.8 -6.2 75 107 A M E - E 0 80A 117 -2,-0.2 2,-0.4 5,-0.2 5,-0.2 -0.897 31.3-176.4 -98.0 138.2 16.3 18.0 -7.6 76 108 A H E > - E 0 79A 78 3,-2.7 3,-1.1 -2,-0.4 -2,-0.0 -0.911 68.9 -23.2-142.5 112.5 18.8 19.1 -5.0 77 109 A H T 3 S- 0 0 170 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.921 128.0 -49.8 47.1 50.7 22.2 20.6 -6.0 78 110 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.539 119.1 106.5 73.4 8.8 22.0 18.8 -9.3 79 111 A K E < S- E 0 76A 132 -3,-1.1 -3,-2.7 -35,-0.0 2,-0.3 -0.952 72.9-115.4-121.4 141.4 21.1 15.4 -7.9 80 112 A R E - E 0 75A 132 -2,-0.4 -35,-2.2 -5,-0.2 2,-0.3 -0.555 41.4-175.6 -75.6 135.9 17.7 13.6 -7.9 81 113 A C E -DE 44 74A 0 -7,-3.1 -7,-2.1 -37,-0.3 2,-0.5 -0.962 27.6-146.3-137.1 146.4 16.3 13.1 -4.4 82 114 A L E -DE 43 73A 3 -39,-3.4 -39,-3.1 -2,-0.3 2,-0.5 -0.970 19.3-161.8-108.4 128.9 13.3 11.5 -2.6 83 115 A L E -DE 42 72A 13 -11,-2.7 -11,-2.4 -2,-0.5 2,-0.6 -0.964 2.3-158.0-113.4 116.0 12.1 13.4 0.4 84 116 A I E -DE 41 71A 0 -43,-2.7 -43,-3.0 -2,-0.5 2,-0.6 -0.861 5.3-156.6 -92.6 118.3 10.0 11.6 2.9 85 117 A I E +DE 40 70A 0 -15,-2.7 -16,-3.8 -2,-0.6 -15,-1.2 -0.879 21.8 177.7 -92.4 119.1 7.9 13.9 5.1 86 118 A M E -DE 39 68A 13 -47,-3.4 -47,-2.6 -2,-0.6 -18,-0.2 -0.774 38.2 -88.7-115.9 162.6 7.0 12.1 8.3 87 119 A E E -D 38 0A 34 -20,-2.0 2,-0.5 -2,-0.3 -49,-0.2 -0.445 53.8-107.0 -61.9 142.5 5.2 13.1 11.5 88 120 A C - 0 0 17 -51,-0.8 2,-1.1 -2,-0.1 -1,-0.1 -0.674 24.7-155.5 -81.8 122.0 7.6 14.6 14.0 89 121 A M > + 0 0 24 -2,-0.5 3,-0.7 1,-0.1 50,-0.2 -0.771 24.1 165.4 -96.3 89.1 8.4 12.3 16.9 90 122 A E T 3 + 0 0 108 50,-1.5 51,-0.2 -2,-1.1 50,-0.2 0.374 58.1 81.3 -94.0 6.9 9.4 14.8 19.5 91 123 A G T 3 S- 0 0 0 48,-2.3 -1,-0.2 1,-0.2 49,-0.2 0.635 89.4-145.4 -79.8 -17.0 9.2 12.4 22.5 92 124 A G E < -G 139 0B 23 47,-0.7 47,-2.6 -3,-0.7 -1,-0.2 -0.303 39.1 -15.0 82.5-166.5 12.6 11.0 21.6 93 125 A E E >> -G 138 0B 54 45,-0.2 4,-2.2 1,-0.1 3,-0.7 -0.449 58.5-119.8 -83.6 144.5 14.0 7.5 21.9 94 126 A L H 3> S+ 0 0 0 43,-2.6 4,-1.4 40,-0.5 3,-0.2 0.885 111.7 41.0 -41.1 -60.5 12.4 4.7 24.0 95 127 A F H 3> S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.699 109.7 59.0 -73.6 -20.5 15.3 4.1 26.3 96 128 A S H <> S+ 0 0 33 -3,-0.7 4,-1.0 2,-0.2 -1,-0.2 0.908 105.4 50.0 -70.0 -44.2 16.1 7.8 26.8 97 129 A R H < S+ 0 0 56 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.887 110.5 52.0 -54.4 -42.1 12.5 8.3 28.1 98 130 A I H < S+ 0 0 17 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.883 107.0 49.2 -69.1 -40.9 13.1 5.4 30.5 99 131 A Q H < 0 0 48 -4,-1.8 -1,-0.2 147,-0.1 -2,-0.2 0.662 360.0 360.0 -74.1 -14.6 16.4 6.7 32.0 100 132 A E < 0 0 150 -4,-1.0 -3,-0.1 -3,-0.3 147,-0.1 0.182 360.0 360.0 -84.2 360.0 14.6 10.1 32.5 101 ! 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 0.0 102 137 A A 0 0 127 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.9 9.0 3.6 39.1 103 138 A F - 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