==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAY-02 1LUK . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR R.J.MALLIS,K.N.BRAZIN,B.F.FULTON,A.H.ANDREOTTI . 108 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 54.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 9 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.8 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 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N 0 0 132 0, 0.0 82,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -90.1 -12.0 9.3 5.2 2 5 A N - 0 0 93 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.518 360.0-146.6 67.3 140.5 -8.4 10.0 4.2 3 6 A L > + 0 0 0 1,-0.1 2,-4.7 3,-0.1 3,-2.6 0.183 53.1 131.4-122.2 11.8 -5.4 7.8 5.3 4 7 A E T 3 S+ 0 0 110 1,-0.3 -1,-0.1 6,-0.1 -2,-0.0 0.023 71.1 61.2 -60.1 40.4 -2.9 10.6 5.6 5 8 A T T 3 S+ 0 0 113 -2,-4.7 2,-0.5 5,-0.0 -1,-0.3 0.270 73.7 109.6-147.0 4.0 -2.1 9.1 9.0 6 9 A Y S X S- 0 0 66 -3,-2.6 3,-1.4 1,-0.1 27,-0.2 -0.776 73.4-127.3 -94.0 129.0 -1.0 5.6 8.2 7 10 A E T 3 S+ 0 0 82 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.697 116.3 43.0 -41.4 -21.0 2.7 4.7 8.7 8 11 A W T 3 S+ 0 0 1 97,-0.2 25,-4.0 24,-0.1 37,-0.3 0.715 91.4 100.7 -99.7 -29.5 2.3 3.5 5.2 9 12 A Y B < -a 33 0A 16 -3,-1.4 2,-0.3 23,-0.4 25,-0.2 -0.322 42.6-179.7 -64.9 143.1 0.3 6.3 3.6 10 13 A N + 0 0 31 23,-3.7 25,-0.2 33,-0.2 33,-0.2 -0.816 2.2 179.2-146.2 97.6 2.0 8.9 1.5 11 14 A K S S+ 0 0 112 -2,-0.3 -1,-0.1 23,-0.2 -7,-0.0 0.944 82.0 31.7 -62.2 -97.2 -0.1 11.7 -0.1 12 15 A S S S+ 0 0 122 22,-0.1 -1,-0.2 2,-0.0 22,-0.1 0.598 104.3 117.1 -40.1 -10.1 2.0 14.2 -2.1 13 16 A I - 0 0 16 20,-0.2 2,-0.2 1,-0.1 -3,-0.1 -0.066 52.2-154.5 -60.2 164.6 4.1 11.1 -2.7 14 17 A S > - 0 0 48 1,-0.0 4,-1.2 20,-0.0 5,-0.1 -0.596 33.8 -94.2-126.8-172.8 4.7 9.5 -6.1 15 18 A R H > S+ 0 0 159 -2,-0.2 4,-0.9 2,-0.2 -2,-0.0 0.866 122.1 43.5 -75.1 -38.3 5.5 6.0 -7.4 16 19 A D H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.1 5,-0.1 0.904 109.9 53.8 -74.1 -45.8 9.3 6.7 -7.5 17 20 A K H > S+ 0 0 78 1,-0.2 4,-4.3 2,-0.2 5,-0.4 0.932 102.6 57.3 -56.8 -49.8 9.6 8.4 -4.1 18 21 A A H X S+ 0 0 0 -4,-1.2 4,-4.4 1,-0.2 5,-0.3 0.920 108.1 47.6 -48.9 -48.0 8.0 5.6 -2.1 19 22 A E H X S+ 0 0 74 -4,-0.9 4,-4.3 2,-0.2 5,-0.2 0.947 114.7 46.4 -58.6 -46.7 10.5 3.2 -3.5 20 23 A K H X S+ 0 0 148 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.935 118.1 42.0 -60.0 -47.7 13.3 5.6 -2.5 21 24 A L H X S+ 0 0 18 -4,-4.3 4,-2.2 2,-0.2 -2,-0.2 0.894 119.2 45.3 -66.7 -40.4 11.7 6.2 0.9 22 25 A L H X S+ 0 0 0 -4,-4.4 4,-2.1 -5,-0.4 5,-0.4 0.910 112.1 51.5 -69.3 -42.9 11.0 2.5 1.3 23 26 A L H < S+ 0 0 71 -4,-4.3 -2,-0.2 -5,-0.3 -1,-0.2 0.892 111.6 47.9 -60.8 -40.8 14.4 1.6 0.1 24 27 A D H < S+ 0 0 142 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.929 107.5 55.3 -66.3 -46.8 16.0 3.9 2.6 25 28 A T H < S- 0 0 49 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.942 95.8-147.2 -51.5 -54.6 13.9 2.7 5.5 26 29 A G < + 0 0 23 -4,-2.1 2,-0.3 1,-0.2 -3,-0.1 0.957 34.5 151.3 81.3 78.5 15.0 -0.9 5.0 27 30 A K > - 0 0 54 -5,-0.4 3,-1.1 20,-0.1 2,-1.0 -0.995 50.3-115.1-141.3 147.4 12.2 -3.2 5.9 28 31 A E T 3 S- 0 0 134 -2,-0.3 20,-0.3 1,-0.3 72,-0.0 -0.703 107.2 -3.5 -83.1 106.1 11.0 -6.6 5.0 29 32 A G T 3 S- 0 0 0 -2,-1.0 75,-2.1 18,-0.3 74,-1.1 0.746 88.3-170.5 83.6 25.5 7.6 -6.0 3.4 30 33 A A E < -cB 104 47A 0 17,-3.2 17,-3.5 -3,-1.1 2,-0.4 -0.195 9.1-150.1 -50.3 135.9 7.7 -2.3 4.1 31 34 A F E +cB 105 46A 0 73,-3.0 75,-4.7 15,-0.3 15,-0.3 -0.955 24.5 158.2-121.6 134.2 4.2 -0.9 3.3 32 35 A M E - B 0 45A 0 13,-2.7 13,-1.8 -2,-0.4 -23,-0.4 -0.906 20.3-147.1-142.0 168.9 3.2 2.5 2.1 33 36 A V E -aB 9 44A 0 -25,-4.0 -23,-3.7 11,-0.4 2,-0.4 -0.986 6.5-169.9-142.2 151.0 0.3 4.2 0.3 34 37 A R E - B 0 43A 53 9,-2.4 9,-3.5 -2,-0.3 -23,-0.2 -0.945 27.3-119.4-146.2 119.4 -0.2 7.1 -2.1 35 38 A D E - B 0 42A 62 -2,-0.4 2,-0.3 7,-0.3 7,-0.3 -0.154 32.5-162.5 -55.3 148.7 -3.4 8.6 -3.2 36 39 A S - 0 0 33 5,-2.2 4,-0.1 1,-0.0 -1,-0.1 -0.868 32.4-121.3-131.9 165.6 -4.3 8.5 -6.9 37 40 A R S S+ 0 0 245 -2,-0.3 5,-0.1 3,-0.1 -2,-0.0 0.588 80.8 110.8 -81.3 -11.0 -6.7 10.2 -9.4 38 41 A T S S- 0 0 49 1,-0.2 -2,-0.0 3,-0.2 26,-0.0 0.357 102.0 -43.0 -46.3-167.8 -8.1 6.8 -10.2 39 42 A P S S- 0 0 88 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.501 107.4 -73.3 -45.1 0.4 -11.7 5.9 -9.1 40 43 A G S S+ 0 0 33 1,-0.2 2,-0.1 -4,-0.1 -3,-0.1 0.605 96.5 129.6 113.4 17.7 -10.7 7.6 -5.8 41 44 A T - 0 0 0 24,-0.1 -5,-2.2 -6,-0.1 2,-0.3 -0.422 50.4-118.7 -97.8 176.0 -8.3 5.0 -4.3 42 45 A Y E -B 35 0A 16 -7,-0.3 21,-4.2 -2,-0.1 -7,-0.3 -0.724 21.2-117.0-112.4 162.0 -4.8 5.2 -2.9 43 46 A T E -BD 34 62A 9 -9,-3.5 -9,-2.4 19,-0.3 2,-0.5 -0.658 20.3-144.2 -96.6 154.1 -1.6 3.5 -3.9 44 47 A V E -BD 33 61A 3 17,-2.2 17,-5.9 -11,-0.3 2,-0.8 -0.941 2.4-156.6-126.4 114.3 0.4 1.1 -1.7 45 48 A S E +BD 32 60A 1 -13,-1.8 -13,-2.7 -2,-0.5 2,-0.6 -0.765 17.1 178.7 -89.6 109.5 4.1 0.9 -1.6 46 49 A V E +BD 31 59A 1 13,-5.3 13,-4.8 -2,-0.8 2,-0.4 -0.941 6.1 172.9-114.5 111.3 5.2 -2.5 -0.5 47 50 A F E +BD 30 58A 0 -17,-3.5 -17,-3.2 -2,-0.6 2,-0.3 -0.956 14.3 177.5-126.0 141.7 8.9 -3.1 -0.3 48 51 A T - 0 0 21 9,-1.6 -20,-0.2 -2,-0.4 10,-0.1 -0.842 43.6-107.5-143.0 102.0 11.0 -6.0 1.0 49 52 A K S S+ 0 0 116 -22,-0.8 2,-0.3 -2,-0.3 6,-0.1 0.064 75.9 113.7 -29.3 106.9 14.8 -6.0 0.7 50 53 A A + 0 0 45 1,-0.2 -2,-0.1 4,-0.1 8,-0.1 -0.978 14.2 88.6-171.4 171.7 15.2 -8.6 -2.0 51 54 A I > - 0 0 62 -2,-0.3 3,-0.7 4,-0.1 -1,-0.2 0.782 46.6-144.8 89.5 100.9 16.3 -9.3 -5.6 52 55 A I T 3 S+ 0 0 174 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.630 106.3 44.7 -68.1 -12.8 19.9 -10.2 -6.3 53 56 A S T 3 S+ 0 0 115 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.528 134.7 7.3-105.9 -12.0 19.5 -8.3 -9.6 54 57 A E S < S- 0 0 154 -3,-0.7 -1,-0.2 -4,-0.0 -2,-0.2 -0.423 89.1-153.8-173.1 88.9 17.7 -5.3 -8.1 55 58 A N + 0 0 96 -3,-0.1 2,-0.2 2,-0.1 -4,-0.1 -0.894 57.7 40.8-132.9 162.2 17.2 -4.8 -4.4 56 59 A P S S- 0 0 18 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 0.560 82.4-126.7 -62.2-170.3 15.8 -3.8 -2.1 57 60 A C + 0 0 35 -2,-0.2 -9,-1.6 -35,-0.1 2,-0.4 -0.949 29.6 175.8-116.2 125.8 12.3 -4.5 -3.4 58 61 A I E -D 47 0A 10 -2,-0.5 2,-0.4 -11,-0.3 -11,-0.3 -0.936 5.7-176.0-131.8 109.9 9.5 -1.8 -3.6 59 62 A K E -D 46 0A 98 -13,-4.8 -13,-5.3 -2,-0.4 2,-0.7 -0.847 18.0-142.1-106.6 140.6 6.2 -2.7 -5.1 60 63 A H E -D 45 0A 54 -2,-0.4 2,-0.6 -15,-0.3 -15,-0.3 -0.867 18.3-173.4-106.0 106.7 3.4 -0.2 -5.6 61 64 A Y E -D 44 0A 30 -17,-5.9 -17,-2.2 -2,-0.7 2,-0.3 -0.866 11.6-149.5-101.0 120.8 -0.1 -1.7 -5.0 62 65 A H E -D 43 0A 49 -2,-0.6 2,-1.0 -19,-0.3 -19,-0.3 -0.655 18.3-120.3 -89.4 144.6 -3.0 0.5 -5.8 63 66 A I - 0 0 0 -21,-4.2 12,-0.3 -2,-0.3 -21,-0.1 -0.718 28.7-145.9 -87.0 104.2 -6.3 0.1 -3.9 64 67 A K E -E 74 0B 78 10,-5.1 10,-2.1 -2,-1.0 2,-0.4 -0.365 10.5-139.5 -67.3 147.0 -8.9 -0.8 -6.4 65 68 A E E +E 73 0B 39 8,-0.3 8,-0.3 15,-0.1 2,-0.3 -0.915 22.7 174.5-113.8 136.5 -12.4 0.6 -5.7 66 69 A T - 0 0 41 6,-1.0 2,-1.3 -2,-0.4 7,-0.1 -0.805 40.1-120.5-144.7 99.1 -15.7 -1.3 -6.1 67 70 A N + 0 0 149 -2,-0.3 5,-0.2 5,-0.1 4,-0.1 -0.015 62.6 149.7 -37.6 77.0 -19.0 0.3 -5.1 68 71 A D - 0 0 62 3,-2.3 4,-0.1 -2,-1.3 3,-0.1 0.042 57.8 -72.0 -97.1-152.7 -19.6 -2.6 -2.6 69 72 A S S S- 0 0 96 -2,-0.0 3,-0.1 0, 0.0 2,-0.1 -0.628 112.9 -39.4-146.3 82.6 -21.5 -2.7 0.7 70 73 A P S S+ 0 0 83 0, 0.0 -2,-0.6 0, 0.0 11,-0.1 -0.956 129.1 98.0 -91.8 -18.4 -19.5 -1.3 2.1 71 74 A K + 0 0 86 9,-0.2 -3,-2.3 1,-0.1 11,-0.2 0.293 31.7 138.1 -20.9 148.2 -16.4 -2.8 0.4 72 75 A R + 0 0 84 9,-1.3 -6,-1.0 1,-0.5 2,-0.3 0.212 47.4 70.7-164.9 -49.5 -14.9 -0.8 -2.4 73 76 A Y E +EF 65 81B 21 8,-4.6 8,-3.0 -8,-0.3 -1,-0.5 -0.644 52.2 143.3 -91.7 146.5 -11.2 -0.8 -2.3 74 77 A Y E -E 64 0B 40 -10,-2.1 -10,-5.1 6,-0.3 2,-0.3 -0.944 38.7-143.3-173.1 154.3 -8.9 -3.7 -3.0 75 78 A V S S+ 0 0 12 4,-0.4 -12,-0.1 -2,-0.3 5,-0.0 -0.608 92.4 16.5-129.2 73.9 -5.6 -4.7 -4.7 76 79 A A S S- 0 0 55 -2,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.503 107.4 -91.1 138.5 25.1 -5.9 -8.0 -6.5 77 80 A E S S+ 0 0 168 1,-0.1 3,-0.1 2,-0.1 -3,-0.0 0.782 108.8 107.1 46.3 21.9 -9.6 -8.7 -6.8 78 81 A K S S+ 0 0 69 1,-0.3 2,-0.5 19,-0.0 -1,-0.1 0.915 81.0 1.0 -89.8 -77.3 -8.9 -10.3 -3.5 79 82 A Y - 0 0 95 8,-0.1 -4,-0.4 2,-0.0 2,-0.3 -0.974 64.0-163.1-124.8 120.9 -10.3 -8.3 -0.6 80 83 A V + 0 0 29 -2,-0.5 -6,-0.3 -6,-0.2 2,-0.3 -0.742 14.0 176.4-101.3 149.2 -12.2 -5.1 -1.1 81 84 A F B -F 73 0B 40 -8,-3.0 -8,-4.6 -2,-0.3 -9,-1.3 -0.862 42.7-116.3-142.3 176.4 -12.8 -2.7 1.7 82 85 A D S S+ 0 0 53 -2,-0.3 2,-0.3 -11,-0.2 -8,-0.1 0.356 101.1 28.6 -96.7 3.4 -14.4 0.7 2.5 83 86 A S S > S- 0 0 10 -10,-0.2 4,-4.1 1,-0.1 3,-0.4 -0.921 71.1-128.9-165.1 136.6 -11.0 2.1 3.5 84 87 A I H > S+ 0 0 0 -2,-0.3 4,-5.5 1,-0.2 5,-0.4 0.887 110.3 62.2 -52.8 -39.9 -7.4 1.6 2.6 85 88 A P H > S+ 0 0 10 0, 0.0 4,-4.2 0, 0.0 -1,-0.2 0.939 113.3 34.1 -53.0 -48.1 -6.6 1.3 6.3 86 89 A L H > S+ 0 0 75 -3,-0.4 4,-3.8 2,-0.3 5,-0.3 0.962 120.5 49.4 -70.0 -48.8 -8.9 -1.7 6.5 87 90 A L H X S+ 0 0 0 -4,-4.1 4,-0.9 1,-0.2 -3,-0.2 0.874 119.8 39.3 -54.9 -34.9 -7.8 -2.8 3.1 88 91 A I H X S+ 0 0 1 -4,-5.5 4,-3.3 -5,-0.3 -2,-0.3 0.869 111.3 57.4 -79.9 -39.6 -4.3 -2.2 4.5 89 92 A Q H X>S+ 0 0 65 -4,-4.2 4,-3.0 -5,-0.4 5,-0.6 0.865 105.9 51.0 -58.4 -35.9 -5.3 -3.7 7.8 90 93 A Y H <>S+ 0 0 7 -4,-3.8 5,-2.0 1,-0.2 -1,-0.3 0.864 118.2 37.7 -70.2 -34.1 -6.2 -6.8 5.8 91 94 A H H <5S+ 0 0 1 -4,-0.9 -2,-0.3 -5,-0.3 -1,-0.2 0.688 118.4 51.4 -87.5 -20.5 -2.8 -6.7 4.2 92 95 A Q H <5S+ 0 0 47 -4,-3.3 -3,-0.2 -6,-0.2 -2,-0.2 0.878 128.7 14.8 -81.7 -42.1 -1.1 -5.6 7.4 93 96 A Y T <5S+ 0 0 173 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.864 131.8 35.0 -95.1 -80.4 -2.6 -8.3 9.6 94 97 A N T - 0 0 2 1,-0.1 2,-4.3 -5,-0.1 5,-0.7 -0.518 38.4-100.1 -74.8 135.8 -2.7 -10.5 1.1 97 100 A G T 5S+ 0 0 68 -2,-0.2 2,-0.1 3,-0.1 -1,-0.1 -0.147 87.0 114.7 -52.9 65.3 -0.9 -12.5 -1.6 98 101 A L T 5S- 0 0 26 -2,-4.3 -22,-0.0 -7,-0.1 0, 0.0 -0.400 92.3 -56.5-120.0-162.7 1.5 -9.6 -2.3 99 102 A V T 5S- 0 0 38 1,-0.2 -2,-0.1 -2,-0.1 -70,-0.1 0.677 122.8 -40.8 -54.2 -14.0 5.2 -8.9 -1.9 100 103 A T T 5S- 0 0 33 -4,-0.4 -1,-0.2 -71,-0.1 -3,-0.1 0.361 87.6 -97.8 156.3 30.0 4.5 -9.8 1.7 101 104 A R S