==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE,SIGNALING PROTEIN/INHIBITOR 07-MAY-12 4F1T . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE ROCO4; . SOURCE 2 ORGANISM_SCIENTIFIC: DICTYOSTELIUM DISCOIDEUM; . AUTHOR B.K.GILSBACH,I.R.VETTER,A.WITTINGHOFER,A.KORTHOLT . 269 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 60.6 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 . 32 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 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 . 13 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 26.0 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+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 1 2 0 1 0 0 0 1 0 0 1 0 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 . 3 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 1017 A R 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-153.3 -18.3 7.8 -1.7 2 1018 A L - 0 0 41 71,-0.0 71,-0.1 72,-0.0 70,-0.1 -0.985 360.0-141.7-110.7 114.9 -15.8 10.2 -2.9 3 1019 A P - 0 0 73 0, 0.0 71,-2.4 0, 0.0 2,-0.5 -0.233 3.1-132.4 -73.8 159.8 -12.6 8.8 -1.4 4 1020 A T B +a 74 0A 81 69,-0.2 2,-0.4 2,-0.0 71,-0.2 -0.963 23.2 174.6-116.6 128.5 -9.7 10.8 0.0 5 1021 A L - 0 0 19 69,-2.9 2,-0.3 -2,-0.5 71,-0.1 -0.997 9.4-177.9-126.4 136.0 -6.2 10.2 -0.9 6 1022 A A > - 0 0 30 -2,-0.4 3,-1.2 69,-0.2 2,-0.6 -0.853 50.2 -49.2-141.3 175.1 -3.7 12.5 0.5 7 1023 A D G > S+ 0 0 87 -2,-0.3 3,-0.6 1,-0.3 68,-0.0 -0.004 117.9 60.0 -61.4 -23.9 -0.2 12.5 -0.0 8 1024 A N G 3 S+ 0 0 147 -2,-0.6 -1,-0.3 1,-0.2 22,-0.1 0.840 101.8 53.5 -64.8 -39.0 1.3 9.1 0.5 9 1025 A E G < S+ 0 0 77 -3,-1.2 21,-2.0 21,-0.1 22,-0.5 0.724 103.3 65.2 -66.0 -26.2 -0.7 7.3 -2.2 10 1026 A I E < -B 29 0A 10 -3,-0.6 2,-0.5 19,-0.2 19,-0.2 -0.821 58.0-161.5-112.3 140.0 0.2 9.7 -5.0 11 1027 A E E -B 28 0A 83 17,-2.3 17,-2.2 -2,-0.4 2,-0.0 -0.963 17.0-138.6-118.8 125.7 3.5 10.6 -6.9 12 1028 A Y E +B 27 0A 103 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.337 23.8 170.1 -73.6 153.7 4.0 13.7 -8.9 13 1029 A E - 0 0 86 13,-2.0 2,-0.2 1,-0.4 14,-0.2 0.584 53.8 -31.9-128.4 -50.4 5.8 13.7 -12.3 14 1030 A K - 0 0 97 12,-1.3 2,-0.4 0, 0.0 -1,-0.4 -0.678 58.0 -90.3-150.5-161.0 5.4 17.0 -14.2 15 1031 A Q + 0 0 115 -2,-0.2 10,-0.2 10,-0.2 3,-0.1 -0.998 27.7 175.0-132.9 131.3 3.3 19.9 -15.0 16 1032 A I - 0 0 78 8,-1.5 2,-0.3 -2,-0.4 9,-0.2 0.116 58.8 -33.5-119.1 15.8 0.8 19.9 -17.9 17 1033 A G B -C 24 0A 29 7,-0.7 7,-2.0 1,-0.1 -1,-0.2 -0.886 34.5-130.6 151.7 175.3 -1.0 23.2 -17.5 18 1034 A K + 0 0 155 -2,-0.3 4,-0.5 5,-0.2 2,-0.3 0.865 44.7 132.6-107.4 -47.3 -2.5 26.1 -15.6 19 1035 A G + 0 0 61 1,-0.2 4,-0.1 2,-0.1 -1,-0.0 -0.270 58.6 4.2 -62.2 -36.9 -5.8 27.0 -16.4 20 1036 A G S S- 0 0 65 -2,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.874 120.6 -8.3-115.1 -53.7 -8.8 27.8 -14.1 21 1037 A F S S- 0 0 19 19,-0.2 21,-2.5 -3,-0.2 2,-0.3 0.159 122.0 -30.7-127.4 17.3 -8.5 27.7 -10.3 22 1038 A G S S- 0 0 14 -4,-0.5 2,-0.4 19,-0.2 19,-0.2 -0.924 86.0 -35.1 171.4-147.0 -5.0 26.4 -9.9 23 1039 A L - 0 0 69 -2,-0.3 17,-1.8 -4,-0.1 2,-0.4 -0.910 39.9-143.7-118.9 139.6 -2.4 24.2 -11.4 24 1040 A V E -CD 17 39A 31 -7,-2.0 -8,-1.5 -2,-0.4 -7,-0.7 -0.869 21.4-175.0-106.3 136.7 -2.7 20.9 -13.3 25 1041 A H E - D 0 38A 36 13,-2.0 13,-3.2 -2,-0.4 2,-0.3 -0.956 24.8-133.5-130.7 144.8 -0.2 18.1 -12.8 26 1042 A K E + D 0 37A 50 -2,-0.4 -13,-2.0 -12,-0.3 -12,-1.3 -0.714 43.9 145.1 -85.0 145.9 0.5 14.7 -14.3 27 1043 A G E -BD 12 36A 0 9,-1.7 9,-1.7 -2,-0.3 2,-0.3 -0.866 36.5-119.3-160.9-176.5 1.2 12.1 -11.6 28 1044 A R E -BD 11 35A 81 -17,-2.2 -17,-2.3 -2,-0.3 2,-0.7 -0.981 21.1-110.8-143.2 162.1 0.7 8.5 -11.0 29 1045 A L E >> -B 10 0A 21 5,-3.6 4,-2.7 -2,-0.3 3,-0.6 -0.788 22.8-157.7 -99.3 109.5 -1.1 6.3 -8.5 30 1046 A V T 34 S+ 0 0 58 -21,-2.0 -1,-0.1 -2,-0.7 -20,-0.1 0.788 82.9 59.8 -63.5 -35.3 1.4 4.4 -6.4 31 1047 A K T 34 S+ 0 0 188 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.871 132.5 2.0 -63.4 -42.7 -0.8 1.5 -5.3 32 1048 A D T <4 S- 0 0 94 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.356 97.9-118.4-122.8 4.6 -1.6 0.2 -8.8 33 1049 A K < + 0 0 144 -4,-2.7 -3,-0.2 1,-0.2 2,-0.1 0.699 53.0 159.5 63.7 28.0 0.4 2.6 -10.9 34 1050 A S - 0 0 46 -5,-0.5 -5,-3.6 -6,-0.1 2,-0.3 -0.511 41.6-118.9 -70.8 148.1 -2.4 4.1 -12.9 35 1051 A V E +D 28 0A 48 -7,-0.2 50,-1.1 -2,-0.1 2,-0.3 -0.727 40.1 176.4 -94.5 141.5 -1.6 7.5 -14.4 36 1052 A V E -DE 27 84A 0 -9,-1.7 -9,-1.7 -2,-0.3 2,-0.4 -0.859 29.7-124.1-141.1 167.1 -3.7 10.5 -13.3 37 1053 A A E -DE 26 83A 12 46,-3.0 46,-2.4 -2,-0.3 2,-0.6 -0.962 23.9-151.2-120.0 137.7 -4.2 14.2 -13.6 38 1054 A I E -DE 25 82A 2 -13,-3.2 -13,-2.0 -2,-0.4 2,-0.6 -0.918 5.9-164.4-121.7 117.6 -4.2 16.3 -10.6 39 1055 A K E -DE 24 81A 31 42,-2.5 42,-2.7 -2,-0.6 2,-0.2 -0.862 12.4-163.6-107.9 122.5 -6.1 19.5 -10.3 40 1056 A S E - E 0 80A 16 -17,-1.8 2,-0.5 -2,-0.6 -19,-0.2 -0.676 16.1-133.2-107.6 155.1 -5.3 21.9 -7.5 41 1057 A L 0 0 20 38,-2.0 -19,-0.2 -2,-0.2 9,-0.0 -0.936 360.0 360.0-109.4 131.1 -7.0 24.8 -5.9 42 1058 A I 0 0 129 -21,-2.5 -20,-0.0 -2,-0.5 -2,-0.0 -0.631 360.0 360.0 -99.7 360.0 -4.9 27.8 -5.4 43 ! 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 44 1066 A T >> 0 0 91 0, 0.0 3,-1.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -82.6 -12.4 37.4 -1.7 45 1067 A E G >4 + 0 0 143 1,-0.3 3,-0.6 2,-0.2 0, 0.0 0.811 360.0 32.6 -57.5 -38.9 -15.3 38.1 -3.9 46 1068 A M G 34 S+ 0 0 138 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.500 99.8 84.5 -90.9 -1.0 -13.7 36.3 -6.8 47 1069 A I G X4 + 0 0 98 -3,-1.8 2,-0.8 1,-0.2 3,-0.6 0.568 68.8 88.3 -73.0 -3.3 -12.1 34.1 -4.2 48 1070 A E T << + 0 0 100 -3,-0.6 -1,-0.2 -4,-0.5 -3,-0.1 -0.407 47.5 101.6 -88.0 49.3 -15.5 32.3 -4.6 49 1071 A K T 3> + 0 0 37 -2,-0.8 4,-1.6 2,-0.1 -1,-0.2 0.098 64.3 83.0-103.3 2.2 -14.2 30.2 -7.4 50 1072 A F H <> S+ 0 0 90 -3,-0.6 4,-2.1 2,-0.2 5,-0.2 0.835 82.5 57.3 -64.6 -37.0 -14.2 27.9 -4.5 51 1073 A Q H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.834 102.9 54.9 -63.6 -32.0 -17.8 27.5 -5.3 52 1074 A E H > S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 105.8 49.7 -63.5 -48.3 -16.6 26.4 -8.8 53 1075 A F H X S+ 0 0 13 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.917 112.5 48.3 -60.1 -44.4 -14.3 23.7 -7.4 54 1076 A Q H X S+ 0 0 104 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.856 109.5 52.1 -64.0 -41.8 -17.1 22.3 -5.2 55 1077 A R H X S+ 0 0 71 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.874 106.7 52.2 -63.6 -40.6 -19.6 22.3 -8.0 56 1078 A E H X S+ 0 0 9 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.899 109.4 52.2 -62.3 -38.9 -17.3 20.3 -10.3 57 1079 A V H X S+ 0 0 23 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.902 106.8 51.0 -63.3 -43.8 -16.9 17.8 -7.5 58 1080 A F H X S+ 0 0 111 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.902 111.1 46.9 -63.4 -46.2 -20.6 17.2 -7.0 59 1081 A I H >< S+ 0 0 3 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.895 113.7 47.8 -64.0 -44.7 -21.4 16.6 -10.6 60 1082 A M H >< S+ 0 0 13 -4,-1.8 3,-2.0 1,-0.2 11,-0.3 0.819 99.6 65.2 -63.7 -37.4 -18.5 14.2 -11.1 61 1083 A S H 3< S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.751 103.9 49.9 -63.9 -23.9 -19.1 12.1 -8.0 62 1084 A N T << S+ 0 0 54 -4,-0.7 2,-0.4 -3,-0.5 -1,-0.3 0.289 94.2 87.0 -99.5 14.5 -22.4 11.1 -9.6 63 1085 A L < + 0 0 15 -3,-2.0 8,-0.3 6,-0.1 2,-0.3 -0.934 38.8 165.3-118.4 132.1 -21.1 10.0 -13.0 64 1086 A N + 0 0 113 -2,-0.4 5,-0.1 6,-0.1 6,-0.0 -0.729 28.2 120.4-143.1 89.4 -19.9 6.6 -14.0 65 1087 A H > - 0 0 32 3,-0.3 3,-1.5 -2,-0.3 52,-0.0 -0.994 63.3-119.1-151.0 148.6 -19.6 5.9 -17.7 66 1088 A P T 3 S+ 0 0 67 0, 0.0 4,-0.1 0, 0.0 51,-0.1 0.740 111.3 52.9 -63.8 -23.0 -16.9 5.0 -20.2 67 1089 A N T 3 S+ 0 0 10 85,-0.1 86,-2.6 2,-0.1 2,-0.4 0.167 100.3 74.7-101.2 16.7 -17.3 8.1 -22.3 68 1090 A I B < S-g 153 0B 4 -3,-1.5 -3,-0.3 84,-0.2 86,-0.2 -0.998 91.6-105.7-129.3 133.3 -17.0 10.5 -19.4 69 1091 A V - 0 0 16 84,-1.9 2,-0.3 -2,-0.4 -6,-0.1 -0.304 40.9-129.4 -63.2 128.7 -13.8 11.3 -17.5 70 1092 A K - 0 0 64 -4,-0.1 14,-1.7 -6,-0.0 2,-0.6 -0.590 6.0-141.3 -88.9 136.3 -13.7 9.6 -14.1 71 1093 A L E - F 0 83A 32 -11,-0.3 12,-0.2 -8,-0.3 3,-0.1 -0.864 16.8-176.8 -96.6 114.5 -12.9 11.2 -10.8 72 1094 A Y E - 0 0 83 10,-2.5 2,-0.3 -2,-0.6 11,-0.2 0.855 52.3 -44.6 -70.2 -47.6 -10.8 9.0 -8.5 73 1095 A G E - F 0 82A 1 9,-1.2 9,-2.2 -71,-0.1 2,-0.3 -0.984 48.6-100.3-171.4 178.3 -10.5 10.9 -5.3 74 1096 A L E -aF 4 81A 33 -71,-2.4 -69,-2.9 -2,-0.3 2,-0.3 -0.870 24.3-156.1-120.8 157.1 -9.9 14.1 -3.4 75 1097 A M E > - F 0 80A 2 5,-1.9 5,-1.8 -2,-0.3 2,-0.3 -0.951 10.2-137.5-132.1 153.6 -6.9 15.4 -1.7 76 1098 A H T 5 + 0 0 99 -2,-0.3 -69,-0.2 3,-0.2 -72,-0.0 -0.838 64.2 52.4-117.3 149.8 -6.5 17.8 1.1 77 1099 A N T 5S+ 0 0 149 -2,-0.3 -1,-0.2 -71,-0.1 3,-0.0 0.969 127.3 21.2 59.5 70.7 -4.1 20.7 1.8 78 1100 A P T 5S- 0 0 55 0, 0.0 2,-0.3 0, 0.0 -36,-0.1 0.541 111.2-108.9 -81.8-179.4 -4.5 22.0 -0.7 79 1101 A P T 5 + 0 0 41 0, 0.0 -38,-2.0 0, 0.0 2,-0.3 -0.570 47.5 174.5 -70.5 127.9 -7.8 20.9 -2.2 80 1102 A R E < -EF 40 75A 11 -5,-1.8 -5,-1.9 -2,-0.3 2,-0.4 -0.984 27.5-142.8-139.3 147.7 -7.1 18.7 -5.2 81 1103 A M E -EF 39 74A 0 -42,-2.7 -42,-2.5 -2,-0.3 2,-0.6 -0.915 14.8-153.2-109.0 134.1 -9.1 16.6 -7.6 82 1104 A V E +EF 38 73A 0 -9,-2.2 -10,-2.5 -2,-0.4 -9,-1.2 -0.921 25.3 162.9-114.7 114.3 -7.7 13.4 -8.9 83 1105 A M E -EF 37 71A 13 -46,-2.4 -46,-3.0 -2,-0.6 -12,-0.2 -0.820 42.3 -82.5-127.7 162.5 -8.9 12.2 -12.3 84 1106 A E E -E 36 0A 25 -14,-1.7 2,-0.5 -2,-0.3 -48,-0.2 -0.302 42.6-127.0 -63.7 146.0 -8.0 9.8 -15.0 85 1107 A F - 0 0 49 -50,-1.1 -50,-0.1 -58,-0.1 -1,-0.1 -0.855 14.7-150.2 -99.4 129.8 -5.4 11.0 -17.5 86 1108 A V > - 0 0 15 -2,-0.5 3,-0.6 1,-0.1 54,-0.2 -0.932 8.4-153.5-108.5 117.4 -6.3 10.8 -21.1 87 1109 A P T 3 S+ 0 0 72 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 0.596 73.2 56.9 -68.9 -29.1 -3.3 10.3 -23.3 88 1110 A C T 3 S- 0 0 70 52,-1.8 53,-0.1 1,-0.3 54,-0.1 0.053 93.4-119.5-106.6 25.5 -3.9 11.7 -26.8 89 1111 A G < - 0 0 44 -3,-0.6 51,-2.5 51,-0.1 -1,-0.3 -0.302 45.5 -43.4 77.9-156.1 -4.8 15.3 -26.4 90 1112 A D B > -H 139 0B 35 49,-0.2 4,-1.5 1,-0.1 49,-0.2 -0.765 40.4-117.9-120.6 160.6 -7.9 17.1 -27.3 91 1113 A L H > S+ 0 0 0 47,-2.2 4,-1.9 44,-0.7 5,-0.2 0.883 108.0 57.2 -63.2 -40.8 -10.2 17.2 -30.3 92 1114 A Y H > S+ 0 0 104 43,-0.8 4,-0.9 46,-0.2 -1,-0.2 0.922 109.2 45.3 -60.5 -46.8 -9.7 20.8 -31.2 93 1115 A H H 4 S+ 0 0 117 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.875 110.3 54.1 -63.7 -37.8 -6.0 20.5 -31.6 94 1116 A R H >< S+ 0 0 64 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.883 104.6 54.6 -62.4 -41.2 -6.2 17.3 -33.6 95 1117 A L H 3< S+ 0 0 20 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.712 95.3 69.1 -66.4 -24.7 -8.6 18.9 -36.2 96 1118 A L T 3< S+ 0 0 91 -4,-0.9 2,-1.4 -3,-0.4 -1,-0.3 0.664 74.7 91.5 -67.8 -19.4 -6.1 21.6 -36.8 97 1119 A D X + 0 0 73 -3,-1.3 3,-0.6 -4,-0.4 -1,-0.1 -0.660 51.9 172.7 -82.9 90.0 -3.7 19.2 -38.5 98 1120 A K T 3 + 0 0 121 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.0 0.719 69.4 63.4 -66.3 -33.1 -4.9 19.6 -42.1 99 1121 A A T 3 S+ 0 0 79 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.678 108.4 43.4 -65.0 -24.5 -2.2 17.5 -43.7 100 1122 A H S < S- 0 0 113 -3,-0.6 -1,-0.2 -5,-0.0 -3,-0.1 -0.641 80.5-166.1-126.8 76.8 -3.4 14.5 -41.8 101 1123 A P - 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