==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-JAN-13 4ITI . COMPND 2 MOLECULE: RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KIN . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.XIE,W.PENG,Y.LIU,C.YAN,Y.SHI . 542 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 33 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 2 2 0 0 2 2 2 0 0 1 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 0 4 2 0 1 5 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 2 0 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 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 8 A N 0 0 132 0, 0.0 54,-0.1 0, 0.0 57,-0.0 0.000 360.0 360.0 360.0 99.1 -20.3 1.3 -31.3 2 9 A V - 0 0 4 52,-0.2 2,-0.3 1,-0.1 56,-0.1 0.101 360.0-109.8 -69.5 153.5 -18.7 4.5 -30.0 3 10 A I - 0 0 102 68,-0.2 71,-2.4 69,-0.0 2,-0.4 -0.529 28.5-146.3 -69.2 129.2 -16.7 7.2 -31.7 4 11 A K B -a 74 0A 137 -2,-0.3 2,-0.3 69,-0.2 71,-0.2 -0.782 18.4-175.3 -93.7 142.9 -13.0 7.3 -30.8 5 12 A M - 0 0 18 69,-3.0 71,-0.5 -2,-0.4 2,-0.3 -0.866 15.7-129.9-128.2 167.4 -11.3 10.7 -30.6 6 13 A K - 0 0 128 -2,-0.3 3,-0.5 69,-0.1 4,-0.0 -0.774 18.9-122.4-116.0 162.3 -7.7 11.7 -30.1 7 14 A S S > S+ 0 0 33 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.887 111.3 63.5 -67.2 -39.0 -6.0 14.2 -27.6 8 15 A S T 3 S+ 0 0 77 1,-0.3 -1,-0.2 3,-0.0 22,-0.1 0.761 85.1 76.0 -56.4 -29.2 -4.5 16.0 -30.6 9 16 A D T 3 S+ 0 0 46 -3,-0.5 21,-2.9 20,-0.1 22,-0.4 0.500 92.2 67.7 -62.3 -5.6 -8.1 16.9 -31.8 10 17 A F E < S-B 29 0A 13 -3,-1.8 2,-0.4 19,-0.2 19,-0.2 -0.756 70.8-139.0-119.6 163.7 -8.2 19.5 -29.0 11 18 A L E +B 28 0A 55 17,-2.1 17,-0.7 -2,-0.3 3,-0.2 -0.978 15.7 179.3-126.4 133.8 -6.6 22.8 -28.2 12 19 A E + 0 0 151 -2,-0.4 4,-0.1 1,-0.1 -1,-0.1 0.568 69.1 89.8-103.8 -15.0 -5.4 24.1 -24.8 13 20 A S S S+ 0 0 114 2,-0.1 2,-0.4 0, 0.0 -1,-0.1 0.345 77.6 88.5 -65.3 11.1 -4.0 27.4 -26.1 14 21 A A S S- 0 0 52 -3,-0.2 2,-1.2 14,-0.1 14,-0.1 -0.915 78.5-133.4-115.6 139.3 -7.6 28.6 -25.3 15 22 A E + 0 0 111 -2,-0.4 2,-0.3 2,-0.0 -2,-0.1 -0.723 33.1 179.7 -92.5 90.3 -8.9 30.0 -22.1 16 23 A L - 0 0 48 -2,-1.2 2,-1.0 10,-0.2 10,-0.1 -0.678 26.4-132.6 -91.6 145.7 -12.2 28.2 -21.5 17 24 A D + 0 0 121 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 -0.754 26.7 172.8-102.2 89.8 -14.3 28.9 -18.4 18 25 A S >> + 0 0 40 -2,-1.0 3,-1.4 8,-0.1 4,-0.7 0.141 34.8 139.9 -79.3 21.9 -15.3 25.5 -17.0 19 26 A G T 34 + 0 0 41 1,-0.3 -2,-0.1 2,-0.2 6,-0.0 -0.505 65.9 18.5 -71.7 130.5 -16.7 27.5 -14.1 20 27 A G T 34 S+ 0 0 23 -2,-0.3 72,-2.0 71,-0.1 -1,-0.3 0.617 103.8 93.3 84.6 14.2 -20.1 26.2 -12.8 21 28 A F T <4 S- 0 0 6 -3,-1.4 2,-0.4 1,-0.2 3,-0.4 0.744 74.6-150.6-106.4 -36.5 -19.5 22.8 -14.5 22 29 A G < - 0 0 49 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.1 -0.871 61.3 -2.6 112.2-132.7 -17.9 20.9 -11.6 23 30 A K S S+ 0 0 107 -2,-0.4 -1,-0.2 2,-0.1 2,-0.1 0.876 120.2 72.1 -67.3 -38.8 -15.4 18.1 -11.8 24 31 A V S S- 0 0 3 -3,-0.4 2,-0.2 14,-0.1 14,-0.2 -0.445 72.2-152.3 -78.4 152.3 -15.5 18.1 -15.6 25 32 A S E - C 0 37A 45 12,-2.0 12,-3.0 -2,-0.1 2,-0.3 -0.683 19.4 -98.3-118.8 173.2 -13.9 20.9 -17.6 26 33 A L E - C 0 36A 21 -2,-0.2 2,-0.4 10,-0.2 10,-0.2 -0.722 34.1-168.3 -94.7 144.4 -14.5 22.5 -21.0 27 34 A A E - C 0 35A 13 8,-2.7 8,-2.2 -2,-0.3 2,-0.7 -0.990 17.7-135.2-131.4 138.5 -12.5 21.6 -24.1 28 35 A F E -BC 11 34A 88 -17,-0.7 -17,-2.1 -2,-0.4 2,-0.4 -0.860 18.8-150.2 -95.1 119.3 -12.2 23.2 -27.5 29 36 A H E > -BC 10 33A 11 4,-2.5 4,-2.3 -2,-0.7 -19,-0.2 -0.748 13.8-134.1 -87.6 131.5 -12.3 20.7 -30.4 30 37 A R T 4 S+ 0 0 143 -21,-2.9 -20,-0.1 -2,-0.4 -1,-0.1 0.743 101.5 22.9 -55.5 -31.8 -10.4 21.8 -33.5 31 38 A T T 4 S+ 0 0 121 -22,-0.4 -1,-0.2 2,-0.1 -21,-0.1 0.763 135.7 28.5-103.9 -34.0 -13.2 20.8 -35.9 32 39 A Q T 4 S- 0 0 126 1,-0.3 2,-0.2 0, 0.0 -2,-0.2 0.554 91.0-146.2-117.7 -12.7 -16.3 20.9 -33.8 33 40 A G E < +C 29 0A 9 -4,-2.3 -4,-2.5 2,-0.0 -1,-0.3 -0.542 56.5 34.5 91.5-146.7 -15.7 23.4 -31.0 34 41 A L E +C 28 0A 76 -2,-0.2 53,-0.4 -6,-0.2 2,-0.3 -0.237 64.5 156.3 -62.0 129.4 -16.9 23.5 -27.4 35 42 A M E -C 27 0A 4 -8,-2.2 -8,-2.7 51,-0.1 2,-0.5 -0.925 42.3-106.0-145.5 168.0 -17.2 20.2 -25.7 36 43 A I E -CD 26 85A 2 49,-2.9 49,-2.4 -2,-0.3 2,-0.6 -0.885 30.7-156.5-104.8 124.8 -17.3 18.7 -22.2 37 44 A M E -CD 25 84A 25 -12,-3.0 -12,-2.0 -2,-0.5 2,-0.7 -0.901 11.8-176.2-106.9 117.2 -14.2 16.8 -21.1 38 45 A K E - D 0 83A 15 45,-3.0 45,-2.9 -2,-0.6 2,-0.5 -0.932 11.5-160.4-105.7 108.5 -14.3 14.2 -18.4 39 46 A T E + D 0 82A 45 -2,-0.7 43,-0.2 43,-0.2 3,-0.1 -0.808 16.3 171.6 -85.9 131.8 -10.8 12.9 -17.7 40 47 A V E + 0 0 0 41,-2.5 2,-0.3 -2,-0.5 42,-0.2 0.679 58.3 13.3-113.7 -27.3 -11.2 9.5 -16.0 41 48 A Y E + D 0 81A 2 40,-1.8 40,-2.9 128,-0.1 2,-0.3 -0.969 52.9 172.5-153.6 136.9 -7.6 8.1 -15.8 42 49 A K E + D 0 80A 86 -2,-0.3 126,-1.8 38,-0.2 127,-0.4 -0.993 44.7 47.4-141.2 138.5 -4.1 9.2 -16.4 43 50 A G S S+ 0 0 22 36,-2.9 124,-0.1 -2,-0.3 -2,-0.0 -1.000 85.4 19.9 146.5-140.9 -0.8 7.4 -15.7 44 51 A P S S- 0 0 68 0, 0.0 35,-0.1 0, 0.0 124,-0.1 -0.045 81.0 -96.6 -57.0 166.2 0.7 4.0 -16.5 45 52 A N + 0 0 104 33,-0.1 33,-0.1 34,-0.1 -3,-0.0 -0.194 37.9 169.3 -81.5 176.2 -0.7 1.8 -19.2 46 53 A C > + 0 0 8 -2,-0.0 3,-2.1 2,-0.0 4,-0.3 0.093 8.4 163.7 177.5 47.3 -3.2 -1.1 -18.9 47 54 A I T 3 + 0 0 130 1,-0.3 4,-0.4 2,-0.2 -2,-0.0 0.304 65.7 88.7 -61.4 15.5 -4.5 -2.2 -22.3 48 55 A E T 3 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.587 91.9 38.3 -89.3 -12.8 -5.7 -5.2 -20.4 49 56 A H S <> S+ 0 0 81 -3,-2.1 4,-2.2 2,-0.1 -2,-0.2 0.321 89.2 99.1-116.6 2.6 -9.0 -3.6 -19.5 50 57 A N H > S+ 0 0 28 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.960 80.6 48.2 -54.6 -58.7 -9.5 -1.9 -22.9 51 58 A E H > S+ 0 0 154 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.920 111.7 49.6 -51.1 -54.5 -11.9 -4.4 -24.5 52 59 A A H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.921 109.8 53.0 -50.7 -48.0 -14.2 -4.6 -21.4 53 60 A L H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.941 108.2 49.9 -52.9 -52.4 -14.3 -0.8 -21.3 54 61 A L H X S+ 0 0 56 -4,-2.5 4,-3.5 1,-0.2 -1,-0.2 0.906 109.2 51.5 -53.3 -46.1 -15.4 -0.6 -24.9 55 62 A E H X S+ 0 0 107 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.946 109.5 50.2 -59.2 -47.5 -18.1 -3.2 -24.3 56 63 A E H X S+ 0 0 27 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.937 111.9 48.0 -54.1 -49.2 -19.3 -1.1 -21.4 57 64 A A H X S+ 0 0 11 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.936 108.9 53.3 -58.5 -47.3 -19.4 1.9 -23.6 58 65 A K H < S+ 0 0 45 -4,-3.5 4,-0.5 1,-0.2 3,-0.4 0.951 111.9 46.9 -52.6 -49.1 -21.2 0.0 -26.3 59 66 A M H >< S+ 0 0 93 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.930 112.4 47.4 -60.4 -47.0 -23.8 -0.9 -23.8 60 67 A M H >< S+ 0 0 44 -4,-3.2 3,-1.7 1,-0.3 -1,-0.3 0.769 99.2 70.3 -70.1 -19.6 -24.1 2.6 -22.4 61 68 A N T 3< S+ 0 0 29 -4,-2.5 -1,-0.3 -3,-0.4 -2,-0.2 0.667 82.6 73.0 -70.5 -12.0 -24.4 3.9 -26.0 62 69 A R T < S+ 0 0 137 -3,-1.9 2,-1.0 -4,-0.5 -1,-0.3 0.659 76.0 92.1 -73.2 -14.5 -27.8 2.2 -26.1 63 70 A L < + 0 0 34 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.1 -0.712 53.0 155.3 -81.1 103.4 -29.0 5.1 -23.8 64 71 A R + 0 0 138 -2,-1.0 2,-0.3 57,-0.1 5,-0.1 -0.912 9.9 127.0-140.4 112.2 -30.3 7.7 -26.2 65 72 A H > - 0 0 46 -2,-0.4 3,-1.3 3,-0.3 53,-0.0 -0.972 64.6-104.4-162.4 159.1 -32.9 10.2 -25.2 66 73 A S T 3 S+ 0 0 51 -2,-0.3 52,-0.1 1,-0.3 4,-0.1 0.606 117.3 47.7 -73.7 -15.0 -33.5 14.0 -25.2 67 74 A R T 3 S+ 0 0 40 50,-0.1 80,-4.1 79,-0.1 2,-0.4 0.325 97.3 78.4-108.5 6.8 -32.9 14.3 -21.4 68 75 A V B < S-f 147 0B 12 -3,-1.3 -3,-0.3 78,-0.3 80,-0.2 -0.955 87.1-114.4-113.2 134.2 -29.6 12.3 -21.2 69 76 A V - 0 0 24 78,-1.8 2,-0.3 -2,-0.4 -2,-0.1 -0.319 34.0-116.1 -66.8 150.7 -26.4 14.0 -22.4 70 77 A K - 0 0 76 -4,-0.1 16,-2.0 -6,-0.1 2,-0.6 -0.671 10.9-130.3 -93.2 142.2 -24.7 12.6 -25.5 71 78 A L E - E 0 85A 43 -2,-0.3 14,-0.3 14,-0.2 -68,-0.2 -0.797 18.0-173.2 -82.8 123.0 -21.3 11.0 -25.6 72 79 A L E - 0 0 48 12,-3.2 2,-0.3 -2,-0.6 13,-0.2 0.707 61.5 -60.0 -88.7 -24.9 -19.4 12.6 -28.5 73 80 A G E - E 0 84A 0 11,-2.0 11,-2.3 -3,-0.1 -1,-0.4 -0.908 46.6 -97.9 165.0 176.8 -16.6 10.1 -28.1 74 81 A V E -aE 4 83A 1 -71,-2.4 -69,-3.0 -2,-0.3 2,-0.6 -0.870 15.3-144.8-117.2 150.0 -13.9 8.5 -26.0 75 82 A I E + E 0 82A 4 7,-2.4 7,-2.2 -2,-0.3 2,-0.7 -0.939 22.7 175.7-110.5 104.6 -10.2 9.1 -25.8 76 83 A I E + E 0 81A 37 -2,-0.6 2,-0.3 -71,-0.5 5,-0.2 -0.857 21.0 149.8-112.0 95.6 -8.6 5.7 -25.2 77 84 A E E > - E 0 80A 45 3,-3.0 3,-2.4 -2,-0.7 2,-0.7 -0.796 57.6 -68.2-126.8 164.6 -4.9 6.3 -25.2 78 85 A E T 3 S- 0 0 139 1,-0.3 -33,-0.1 -2,-0.3 -35,-0.1 -0.341 120.8 -14.0 -57.4 101.3 -1.7 4.9 -23.7 79 86 A G T 3 S+ 0 0 4 -2,-0.7 -36,-2.9 -35,-0.1 2,-0.4 0.589 124.3 90.7 81.3 11.5 -2.0 5.9 -20.0 80 87 A K E < +DE 42 77A 49 -3,-2.4 -3,-3.0 -38,-0.2 2,-0.4 -0.957 46.8 176.8-144.2 122.4 -4.8 8.4 -20.7 81 88 A Y E +DE 41 76A 3 -40,-2.9 -41,-2.5 -2,-0.4 -40,-1.8 -0.989 11.1 165.5-128.1 130.1 -8.6 7.8 -20.7 82 89 A S E -DE 39 75A 2 -7,-2.2 -7,-2.4 -2,-0.4 2,-0.4 -0.975 27.0-142.2-141.4 154.8 -11.3 10.4 -21.3 83 90 A L E -DE 38 74A 15 -45,-2.9 -45,-3.0 -2,-0.3 2,-0.5 -0.938 15.7-159.3-113.8 141.9 -15.0 10.9 -22.0 84 91 A V E +DE 37 73A 0 -11,-2.3 -12,-3.2 -2,-0.4 -11,-2.0 -0.976 16.8 172.8-130.4 121.1 -16.2 13.6 -24.3 85 92 A M E -DE 36 71A 22 -49,-2.4 -49,-2.9 -2,-0.5 -14,-0.2 -0.845 36.9 -72.5-131.3 160.8 -19.8 14.8 -24.2 86 93 A E - 0 0 38 -16,-2.0 2,-0.3 -2,-0.3 -1,-0.1 0.018 52.2-105.0 -52.3 151.6 -22.0 17.5 -25.6 87 94 A Y - 0 0 67 -53,-0.4 2,-0.5 -52,-0.1 -1,-0.1 -0.630 26.2-167.2 -84.6 136.6 -21.7 21.1 -24.4 88 95 A M > - 0 0 2 -2,-0.3 3,-2.2 1,-0.1 51,-0.3 -0.928 11.1-154.8-124.9 103.1 -24.4 22.5 -22.0 89 96 A E T 3 S+ 0 0 105 -2,-0.5 51,-0.2 1,-0.3 -1,-0.1 0.763 87.4 46.4 -60.5 -32.5 -23.9 26.3 -21.9 90 97 A K T 3 S- 0 0 61 49,-1.8 -1,-0.3 1,-0.3 50,-0.2 0.464 98.4-145.4 -90.8 0.1 -25.4 27.0 -18.5 91 98 A G E < -G 139 0B 1 -3,-2.2 48,-3.6 48,-0.6 -1,-0.3 -0.310 46.6 -4.5 72.9-153.7 -23.6 24.2 -16.7 92 99 A N E > S-G 138 0B 14 -72,-2.0 4,-1.0 46,-0.3 46,-0.2 -0.077 70.7-104.4 -79.3 175.7 -25.0 22.2 -13.8 93 100 A L H > S+ 0 0 0 41,-2.3 4,-2.2 44,-1.5 3,-0.3 0.896 115.0 51.1 -72.4 -40.9 -28.3 22.6 -12.0 94 101 A M H > S+ 0 0 17 40,-0.3 4,-3.5 1,-0.2 3,-0.3 0.969 106.2 56.0 -58.6 -52.1 -27.1 24.2 -8.8 95 102 A H H 4 S+ 0 0 93 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.770 111.2 44.5 -48.2 -35.0 -25.1 26.8 -10.7 96 103 A V H >< S+ 0 0 14 -4,-1.0 3,-0.9 -3,-0.3 -1,-0.3 0.826 114.5 48.0 -84.3 -35.2 -28.3 27.9 -12.5 97 104 A L H 3< S+ 0 0 15 -4,-2.2 -2,-0.2 -3,-0.3 -3,-0.2 0.859 111.9 50.6 -67.1 -37.6 -30.3 27.8 -9.3 98 105 A K T 3< S+ 0 0 123 -4,-3.5 -1,-0.2 -5,-0.2 -2,-0.2 0.062 89.5 132.9 -89.4 24.1 -27.6 29.8 -7.5 99 106 A A < - 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