==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-DEC-11 2LMJ . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE ITK/TSK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.KRISTIANSEN,T.BIE ANDERSEN,Z.HUSZENICZA,A.H.ANDREOTTI,A.SP . 66 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5182.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 31.8 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 . 2 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 . 4 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.1 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+4), 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 . 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 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A G 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 75.1 2.1 0.0 -1.2 2 2 A P + 0 0 136 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.828 360.0 42.7 -69.8 -33.3 0.6 -2.8 -3.4 3 3 A L S S- 0 0 144 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.790 71.6-156.8-114.5 158.3 2.4 -1.6 -6.5 4 4 A G - 0 0 73 -2,-0.3 -1,-0.1 1,-0.1 4,-0.0 -0.188 26.6 -80.8-112.9-154.2 5.9 -0.5 -7.1 5 5 A S - 0 0 82 -2,-0.1 3,-0.2 1,-0.1 -1,-0.1 -0.776 25.8-121.1-115.9 160.6 7.8 1.7 -9.6 6 6 A P S S+ 0 0 115 0, 0.0 2,-0.5 0, 0.0 30,-0.1 0.726 106.2 45.5 -69.8 -22.4 9.3 1.0 -13.0 7 7 A E + 0 0 68 28,-0.1 30,-0.0 1,-0.1 0, 0.0 -0.908 56.6 174.0-128.9 104.5 12.7 1.9 -11.8 8 8 A E + 0 0 183 -2,-0.5 2,-0.3 -3,-0.2 28,-0.1 -0.063 48.0 115.5 -97.0 32.0 13.9 0.5 -8.5 9 9 A T - 0 0 43 26,-0.5 26,-1.9 56,-0.0 2,-0.3 -0.749 50.4-151.7-103.6 150.6 17.4 2.0 -8.9 10 10 A V E -A 34 0A 36 54,-0.4 54,-3.1 -2,-0.3 2,-0.3 -0.876 3.4-155.5-121.3 153.7 19.0 4.6 -6.8 11 11 A V E -AB 33 63A 0 22,-2.4 22,-2.2 -2,-0.3 2,-0.4 -0.960 9.9-137.4-129.8 147.3 21.7 7.2 -7.5 12 12 A I E -AB 32 62A 50 50,-2.6 50,-2.1 -2,-0.3 2,-0.4 -0.875 22.0-122.3-106.8 134.3 24.2 9.1 -5.4 13 13 A A E - B 0 61A 3 18,-3.0 17,-1.6 -2,-0.4 18,-0.5 -0.587 20.7-172.7 -75.8 126.0 25.0 12.8 -5.8 14 14 A L S S+ 0 0 65 46,-2.2 2,-0.3 -2,-0.4 -1,-0.2 0.790 72.2 10.8 -86.8 -31.7 28.6 13.5 -6.5 15 15 A Y S S- 0 0 139 45,-0.6 2,-0.9 14,-0.1 -1,-0.3 -0.988 89.4 -89.7-147.2 154.1 28.3 17.3 -6.2 16 16 A D - 0 0 86 -2,-0.3 2,-0.2 12,-0.1 12,-0.2 -0.507 49.5-162.0 -67.4 102.4 25.7 19.9 -5.0 17 17 A Y - 0 0 53 -2,-0.9 10,-0.4 10,-0.1 2,-0.4 -0.607 5.6-162.5 -88.7 148.1 23.7 20.6 -8.2 18 18 A Q - 0 0 130 -2,-0.2 2,-0.2 8,-0.2 8,-0.1 -0.996 3.7-151.6-135.2 131.2 21.6 23.6 -8.6 19 19 A T - 0 0 44 -2,-0.4 7,-0.1 5,-0.1 37,-0.0 -0.591 12.2-147.6 -97.9 161.2 18.8 24.3 -11.2 20 20 A N S S+ 0 0 163 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 0.700 83.1 40.8 -97.3 -25.8 17.6 27.6 -12.6 21 21 A D S > S- 0 0 104 4,-0.1 3,-1.0 1,-0.1 -1,-0.1 -0.841 81.4-118.9-123.0 160.3 14.0 26.6 -13.0 22 22 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.655 103.3 80.1 -69.8 -15.6 11.5 24.6 -10.9 23 23 A Q T 3 S+ 0 0 151 31,-0.1 32,-0.6 2,-0.0 2,-0.2 0.865 95.9 46.6 -59.7 -37.3 11.1 22.1 -13.7 24 24 A E B < S-c 55 0A 58 -3,-1.0 2,-0.2 30,-0.2 32,-0.2 -0.619 81.7-129.9-104.4 165.2 14.4 20.5 -12.6 25 25 A L - 0 0 37 30,-2.7 2,-0.3 -2,-0.2 -4,-0.1 -0.618 17.1-117.6-109.5 170.5 15.6 19.4 -9.1 26 26 A A - 0 0 49 -2,-0.2 2,-0.2 -8,-0.1 -8,-0.2 -0.835 20.0-140.0-111.0 148.3 18.8 20.0 -7.2 27 27 A L - 0 0 2 -10,-0.4 2,-0.4 -2,-0.3 -10,-0.1 -0.681 7.6-146.6-104.2 159.2 21.3 17.5 -5.9 28 28 A R - 0 0 167 -2,-0.2 -15,-0.4 -12,-0.2 3,-0.3 -0.991 26.9-106.1-130.4 129.1 23.2 17.4 -2.6 29 29 A R S S+ 0 0 167 -2,-0.4 -15,-0.2 1,-0.2 3,-0.1 -0.172 104.8 14.4 -50.2 137.0 26.7 16.0 -2.1 30 30 A N S S+ 0 0 138 -17,-1.6 2,-0.3 1,-0.2 -1,-0.2 0.962 102.7 124.6 59.1 55.2 26.7 12.7 -0.3 31 31 A E - 0 0 85 -18,-0.5 -18,-3.0 -3,-0.3 2,-0.3 -0.991 53.3-131.9-144.8 150.6 23.0 12.0 -0.9 32 32 A E E -A 12 0A 66 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.738 16.5-166.5-103.7 152.0 20.8 9.3 -2.4 33 33 A Y E -A 11 0A 14 -22,-2.2 -22,-2.4 -2,-0.3 2,-0.8 -0.983 26.5-120.0-142.2 127.6 18.0 9.8 -5.0 34 34 A C E -AD 10 47A 56 13,-2.6 13,-1.3 -2,-0.4 -24,-0.2 -0.517 34.7-135.6 -68.1 105.1 15.3 7.3 -6.1 35 35 A L E + D 0 46A 3 -26,-1.9 -26,-0.5 -2,-0.8 11,-0.3 -0.400 36.5 161.5 -64.5 133.5 15.9 7.0 -9.8 36 36 A L E + 0 0 29 9,-3.3 2,-0.4 1,-0.3 10,-0.2 0.701 65.7 19.3-118.6 -49.8 12.7 7.1 -11.8 37 37 A D E + D 0 45A 73 8,-2.1 8,-2.4 -30,-0.0 2,-0.4 -0.982 55.6 172.7-132.8 122.7 13.6 7.9 -15.4 38 38 A S E + D 0 44A 50 -2,-0.4 6,-0.1 6,-0.2 3,-0.1 -0.737 22.2 140.6-130.8 84.3 17.1 7.5 -16.9 39 39 A S E S- 0 0 86 4,-0.7 2,-0.3 -2,-0.4 -1,-0.1 0.876 73.9 -27.2 -89.0 -45.1 17.1 8.1 -20.7 40 40 A E E > - D 0 43A 111 3,-0.8 3,-1.5 1,-0.0 -1,-0.4 -0.982 64.4 -92.2-165.0 164.3 20.4 10.0 -21.0 41 41 A I T 3 S+ 0 0 82 -2,-0.3 17,-0.9 1,-0.3 18,-0.4 0.715 112.3 80.1 -56.1 -19.6 22.8 12.2 -19.2 42 42 A H T 3 S- 0 0 142 1,-0.3 2,-0.3 15,-0.1 -1,-0.3 0.917 114.1 -6.0 -54.1 -47.3 20.8 15.1 -20.7 43 43 A W E < -D 40 0A 87 -3,-1.5 -3,-0.8 14,-0.1 -4,-0.7 -0.934 62.8-167.3-155.9 128.0 18.1 14.7 -18.0 44 44 A W E -DE 38 56A 31 12,-2.2 12,-1.7 -2,-0.3 2,-0.7 -0.964 16.6-142.5-122.2 118.8 17.6 12.1 -15.2 45 45 A R E +DE 37 55A 102 -8,-2.4 -9,-3.3 -2,-0.5 -8,-2.1 -0.684 35.3 160.5 -81.9 115.6 14.3 11.9 -13.3 46 46 A V E -DE 35 54A 0 8,-2.5 8,-2.3 -2,-0.7 2,-0.4 -0.819 30.7-133.3-130.2 169.9 14.9 11.2 -9.7 47 47 A Q E -DE 34 53A 49 -13,-1.3 -13,-2.6 -2,-0.3 6,-0.2 -0.988 15.1-139.3-130.2 136.1 13.1 11.4 -6.3 48 48 A D - 0 0 29 4,-2.6 3,-0.3 -2,-0.4 -14,-0.1 -0.043 35.6 -97.0 -78.5-174.0 14.4 12.8 -3.0 49 49 A R S S+ 0 0 187 1,-0.2 -1,-0.1 -17,-0.2 -16,-0.1 0.069 116.9 63.1 -94.1 23.8 13.7 11.4 0.5 50 50 A N S S- 0 0 127 2,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.608 119.9 -93.4-116.8 -26.1 10.9 13.8 1.0 51 51 A G S S+ 0 0 41 1,-0.4 2,-0.4 -3,-0.3 -2,-0.1 0.585 84.4 119.4 118.1 20.3 8.4 12.7 -1.7 52 52 A H - 0 0 112 2,-0.0 -4,-2.6 0, 0.0 2,-0.4 -0.922 42.0-159.9-119.2 143.2 9.4 15.1 -4.6 53 53 A E E + E 0 47A 91 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.945 20.6 149.2-123.4 143.0 10.7 14.2 -8.1 54 54 A G E - E 0 46A 2 -8,-2.3 -8,-2.5 -2,-0.4 2,-0.3 -0.910 44.1 -79.5-155.8-178.2 12.6 16.3 -10.6 55 55 A Y E +cE 24 45A 65 -32,-0.6 -30,-2.7 -2,-0.3 -10,-0.2 -0.744 46.2 165.3 -96.5 141.2 15.2 16.4 -13.4 56 56 A V E - E 0 44A 2 -12,-1.7 -12,-2.2 -2,-0.3 2,-0.2 -0.991 41.0 -89.5-152.1 155.9 18.9 16.3 -12.7 57 57 A P > - 0 0 20 0, 0.0 3,-0.7 0, 0.0 -15,-0.1 -0.475 22.8-153.2 -69.7 130.9 22.2 15.7 -14.5 58 58 A S G > S+ 0 0 20 -17,-0.9 3,-2.7 1,-0.2 -17,-0.1 0.798 90.9 72.6 -73.3 -29.4 23.4 12.1 -14.6 59 59 A S G 3 S+ 0 0 63 -18,-0.4 -1,-0.2 1,-0.3 -17,-0.0 0.753 101.3 45.8 -56.9 -23.6 27.0 13.2 -14.9 60 60 A Y G < S+ 0 0 98 -3,-0.7 -46,-2.2 -46,-0.1 -45,-0.6 0.076 106.3 75.6-106.8 21.5 26.7 14.2 -11.2 61 61 A L E < -B 13 0A 12 -3,-2.7 2,-0.4 -48,-0.2 -48,-0.2 -0.998 62.1-156.6-137.7 133.7 24.9 11.0 -10.2 62 62 A V E -B 12 0A 67 -50,-2.1 -50,-2.6 -2,-0.4 2,-0.4 -0.908 30.0-108.9-112.5 136.3 26.4 7.5 -9.7 63 63 A E E -B 11 0A 122 -2,-0.4 2,-1.5 -52,-0.2 -52,-0.3 -0.452 30.4-132.0 -63.9 115.4 24.3 4.3 -9.9 64 64 A K + 0 0 78 -54,-3.1 -54,-0.4 -2,-0.4 -1,-0.1 -0.537 50.3 146.3 -72.7 90.7 24.0 2.9 -6.3 65 65 A S 0 0 102 -2,-1.5 -1,-0.1 -56,-0.1 -2,-0.1 -0.612 360.0 360.0-129.7 72.5 25.0 -0.7 -6.9 66 66 A P 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.514 360.0 360.0 -69.7 360.0 26.8 -1.9 -3.7