==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-APR-12 3VS3 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE HCK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KURATANI,Y.TOMAEBCHI,N.HANDA,S.YOKOYAMA . 867 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 54 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 21.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 1 3 1 2 3 4 2 0 0 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 PARALLEL BRIDGES PER LADDER . 5 2 6 3 5 2 0 5 1 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 2 2 4 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 85 A R 0 0 216 0, 0.0 2,-0.5 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 98.2 1.3 -38.4 16.9 2 86 A I - 0 0 58 26,-0.5 26,-2.3 54,-0.0 2,-0.5 -0.797 360.0-164.2 -97.1 127.0 0.0 -35.0 18.1 3 87 A I E -A 27 0A 39 -2,-0.5 54,-1.5 24,-0.2 2,-0.3 -0.924 7.6-177.9-113.0 132.4 -3.5 -33.9 17.2 4 88 A V E -AB 26 56A 1 22,-2.3 22,-2.6 -2,-0.5 2,-0.4 -0.858 15.4-141.4-121.8 161.2 -4.8 -30.4 17.5 5 89 A V E -AB 25 55A 23 50,-3.1 50,-1.6 -2,-0.3 20,-0.2 -0.963 26.1-109.8-123.6 140.7 -8.2 -28.7 16.8 6 90 A A E - B 0 54A 3 18,-2.8 17,-1.5 -2,-0.4 48,-0.2 -0.489 20.8-166.5 -69.7 132.4 -8.8 -25.3 15.3 7 91 A L S S+ 0 0 25 46,-3.5 2,-0.3 -2,-0.2 47,-0.2 0.693 73.6 16.3 -90.8 -23.6 -10.2 -22.7 17.7 8 92 A Y S S- 0 0 56 45,-0.8 -1,-0.2 13,-0.1 15,-0.1 -0.948 87.8 -92.6-142.7 161.0 -11.2 -20.3 15.0 9 93 A D - 0 0 80 -2,-0.3 2,-0.3 12,-0.1 12,-0.2 -0.445 43.5-169.0 -67.6 150.9 -11.9 -20.2 11.2 10 94 A Y B -F 20 0B 15 10,-2.7 10,-2.2 -2,-0.1 2,-0.5 -0.980 15.0-153.6-148.7 135.5 -8.8 -19.3 9.1 11 95 A E - 0 0 151 -2,-0.3 8,-0.1 8,-0.2 7,-0.1 -0.934 25.7-122.6-111.5 124.2 -8.4 -18.4 5.4 12 96 A A + 0 0 27 -2,-0.5 7,-0.1 1,-0.1 6,-0.1 -0.331 34.8 166.3 -63.7 141.5 -5.0 -18.9 3.8 13 97 A I + 0 0 46 5,-0.1 2,-0.1 -2,-0.0 -1,-0.1 0.319 55.3 66.9-136.4 -0.8 -3.4 -15.9 2.2 14 98 A H S S- 0 0 47 1,-0.0 3,-0.1 191,-0.0 -2,-0.0 -0.427 92.8 -93.1-110.7-171.3 0.1 -17.1 1.6 15 99 A H S S+ 0 0 193 1,-0.2 -1,-0.0 -2,-0.1 -3,-0.0 0.960 114.6 16.9 -67.2 -52.9 1.8 -19.7 -0.7 16 100 A E S S+ 0 0 136 2,-0.1 32,-2.3 31,-0.0 2,-0.2 0.084 92.8 114.1-119.4 21.7 1.8 -22.7 1.6 17 101 A D B -c 48 0A 16 30,-0.2 2,-0.3 -3,-0.1 32,-0.2 -0.655 58.5-123.3 -95.6 154.0 -0.6 -22.1 4.4 18 102 A L - 0 0 15 30,-2.5 2,-0.3 -2,-0.2 -5,-0.1 -0.705 8.9-139.5 -98.1 143.2 -3.8 -24.1 5.0 19 103 A S + 0 0 64 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.723 34.0 162.6 -88.4 150.6 -7.3 -22.8 5.3 20 104 A F B -F 10 0B 11 -10,-2.2 -10,-2.7 -2,-0.3 2,-0.2 -0.986 29.9-121.4-160.7 166.3 -9.5 -24.5 7.9 21 105 A Q > - 0 0 126 -2,-0.3 3,-2.1 -12,-0.2 2,-0.3 -0.707 43.2 -83.9-110.1 163.0 -12.7 -24.1 9.9 22 106 A K T 3 S+ 0 0 120 1,-0.3 -15,-0.2 -2,-0.2 -13,-0.1 -0.519 120.5 28.8 -63.7 121.5 -13.4 -24.0 13.7 23 107 A G T 3 S+ 0 0 43 -17,-1.5 -1,-0.3 1,-0.4 2,-0.1 0.169 86.0 137.1 109.3 -15.7 -13.5 -27.6 14.8 24 108 A D < - 0 0 34 -3,-2.1 -18,-2.8 -19,-0.1 -1,-0.4 -0.424 45.4-141.8 -64.8 134.3 -11.2 -29.0 12.1 25 109 A Q E -A 5 0A 90 -20,-0.2 16,-2.2 -2,-0.1 17,-0.5 -0.766 21.5-177.5-100.1 147.6 -8.6 -31.5 13.4 26 110 A M E -AD 4 40A 0 -22,-2.6 -22,-2.3 -2,-0.3 2,-0.5 -0.952 26.0-124.2-142.7 157.9 -5.0 -31.6 12.2 27 111 A V E -AD 3 39A 6 12,-2.5 12,-2.2 -2,-0.3 2,-0.4 -0.926 29.0-129.1-106.8 123.8 -1.9 -33.6 12.7 28 112 A V E + D 0 38A 21 -26,-2.3 -26,-0.5 -2,-0.5 10,-0.3 -0.571 32.8 167.4 -75.1 125.4 1.2 -31.6 13.8 29 113 A L E + 0 0 63 8,-3.2 2,-0.3 -2,-0.4 9,-0.2 0.678 69.9 10.2-104.9 -29.7 4.2 -32.3 11.6 30 114 A E E - D 0 37A 106 7,-2.1 7,-2.4 2,-0.0 2,-0.7 -0.942 54.8-154.1-157.6 128.2 6.5 -29.5 12.8 31 115 A E E + D 0 36A 95 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.906 30.5 155.6-104.0 106.4 6.4 -27.0 15.6 32 116 A S E > - D 0 35A 36 3,-0.9 3,-0.6 -2,-0.7 2,-0.4 -0.313 57.7 -86.4-131.6 50.5 8.4 -23.9 14.5 33 117 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.2 18,-0.0 18,-0.2 -0.712 101.8 0.2 92.9-131.6 7.2 -20.9 16.4 34 118 A E T 3 S+ 0 0 95 -2,-0.4 17,-2.8 16,-0.1 2,-0.5 0.790 130.9 55.1 -69.4 -28.9 4.2 -18.8 15.3 35 119 A W E < S-DE 32 50A 13 -3,-0.6 -3,-0.9 15,-0.2 2,-0.4 -0.923 70.7-167.1-108.8 129.6 3.7 -21.1 12.3 36 120 A W E -DE 31 49A 47 13,-3.3 13,-2.9 -2,-0.5 2,-0.5 -0.888 19.5-130.2-111.0 145.5 3.3 -24.8 12.6 37 121 A K E +DE 30 48A 80 -7,-2.4 -8,-3.2 -2,-0.4 -7,-2.1 -0.839 44.5 155.4 -93.0 126.6 3.5 -27.4 9.8 38 122 A A E -DE 28 47A 0 9,-3.2 9,-2.3 -2,-0.5 2,-0.5 -0.926 41.9-122.7-146.6 166.3 0.4 -29.7 9.9 39 123 A R E -DE 27 46A 54 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.5 -0.975 27.8-130.6-116.6 124.3 -1.9 -32.0 7.9 40 124 A S E > -D 26 0A 0 5,-2.7 4,-2.8 -2,-0.5 -14,-0.2 -0.585 7.7-155.7 -72.6 121.3 -5.6 -31.3 7.8 41 125 A L T 4 S+ 0 0 54 -16,-2.2 -1,-0.2 -2,-0.5 -15,-0.1 0.709 94.8 51.7 -69.6 -18.1 -7.5 -34.5 8.7 42 126 A A T 4 S+ 0 0 69 -17,-0.5 -1,-0.2 3,-0.1 -16,-0.1 0.848 126.6 19.1 -84.9 -37.6 -10.5 -33.0 6.7 43 127 A T T 4 S- 0 0 65 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.572 90.8-132.7-109.6 -14.1 -8.7 -32.1 3.5 44 128 A R < + 0 0 153 -4,-2.8 2,-0.3 1,-0.3 -3,-0.1 0.540 59.8 141.6 68.5 10.3 -5.6 -34.3 3.8 45 129 A K - 0 0 135 -5,-0.2 -5,-2.7 -6,-0.0 2,-0.4 -0.588 43.4-144.3 -85.7 142.3 -3.5 -31.2 2.8 46 130 A E E + E 0 39A 103 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.843 43.7 100.0-105.1 143.7 -0.2 -30.4 4.4 47 131 A G E - E 0 38A 5 -9,-2.3 -9,-3.2 -2,-0.4 2,-0.3 -0.985 63.8 -43.5 171.6-165.3 1.0 -26.9 5.0 48 132 A Y E -cE 17 37A 68 -32,-2.3 -30,-2.5 -2,-0.3 -11,-0.2 -0.689 42.2-179.8 -98.5 142.8 1.4 -24.1 7.6 49 133 A I E - E 0 36A 0 -13,-2.9 -13,-3.3 -2,-0.3 2,-0.5 -0.968 38.3-100.4-134.6 151.2 -1.0 -22.9 10.2 50 134 A P E > - E 0 35A 0 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.643 30.1-145.9 -69.1 120.5 -0.9 -20.2 12.9 51 135 A S G > S+ 0 0 29 -17,-2.8 3,-1.0 -2,-0.5 -16,-0.1 0.767 95.6 57.9 -61.3 -29.1 -0.0 -22.0 16.2 52 136 A N G 3 S+ 0 0 74 -18,-0.4 -1,-0.3 1,-0.2 -17,-0.1 0.360 95.9 64.7 -86.7 7.7 -2.2 -19.7 18.3 53 137 A Y G < S+ 0 0 11 -3,-1.8 -46,-3.5 113,-0.1 -45,-0.8 0.462 104.7 52.2 -98.4 -7.4 -5.3 -20.6 16.3 54 138 A V E < -B 6 0A 6 -3,-1.0 2,-0.3 -4,-0.3 -48,-0.2 -0.831 57.2-177.4-128.6 163.2 -5.0 -24.2 17.5 55 139 A A E -B 5 0A 6 -50,-1.6 -50,-3.1 -2,-0.3 3,-0.1 -0.978 41.5 -80.4-154.9 156.0 -4.8 -26.3 20.6 56 140 A R E > -B 4 0A 130 -2,-0.3 3,-1.7 -52,-0.3 -52,-0.2 -0.236 64.0 -83.8 -59.3 145.5 -4.5 -30.0 21.6 57 141 A V T 3 S- 0 0 62 -54,-1.5 -1,-0.1 1,-0.3 3,-0.1 -0.205 107.2 -2.0 -57.1 133.8 -7.7 -32.0 21.5 58 142 A D T 3 S+ 0 0 137 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.717 94.3 138.8 54.8 26.4 -9.8 -31.8 24.7 59 143 A S S X S- 0 0 37 -3,-1.7 3,-2.2 1,-0.1 4,-0.4 -0.584 72.4-101.2 -86.9 163.6 -7.3 -29.5 26.5 60 144 A L G > S+ 0 0 55 1,-0.3 3,-2.1 -2,-0.2 6,-0.3 0.821 119.1 69.3 -54.6 -34.0 -8.7 -26.7 28.5 61 145 A E G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -5,-0.1 7,-0.1 0.686 90.9 61.3 -61.4 -19.5 -7.9 -24.2 25.7 62 146 A T G < S+ 0 0 34 -3,-2.2 -1,-0.3 -6,-0.2 2,-0.2 0.652 82.5 101.0 -81.1 -16.4 -10.6 -25.8 23.6 63 147 A E S X S- 0 0 52 -3,-2.1 3,-1.2 -4,-0.4 -3,-0.0 -0.501 73.7-137.3 -73.6 137.2 -13.3 -24.8 26.1 64 148 A E T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.732 103.8 49.3 -66.4 -22.0 -15.3 -21.8 25.1 65 149 A W T 3 S+ 0 0 12 96,-0.1 26,-2.8 -5,-0.1 2,-0.4 0.477 91.7 95.1 -97.1 -3.2 -15.1 -20.5 28.7 66 150 A F E < -g 91 0C 19 -3,-1.2 2,-0.5 -6,-0.3 26,-0.2 -0.766 49.9-172.6 -96.8 134.2 -11.4 -20.9 29.2 67 151 A F E > -g 92 0C 20 24,-2.4 26,-0.9 -2,-0.4 3,-0.7 -0.948 11.9-151.1-129.2 111.1 -9.0 -18.0 28.6 68 152 A K T 3 S+ 0 0 124 -2,-0.5 3,-0.1 1,-0.2 24,-0.0 -0.557 73.3 8.4 -87.3 141.4 -5.2 -18.7 28.6 69 153 A G T 3 S+ 0 0 64 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.694 88.0 144.9 69.2 21.2 -2.5 -16.2 29.6 70 154 A I < - 0 0 31 -3,-0.7 -1,-0.2 4,-0.0 -3,-0.1 -0.819 39.3-145.3 -99.4 122.5 -5.1 -13.7 30.8 71 155 A S > - 0 0 20 -2,-0.5 4,-2.1 -3,-0.1 5,-0.2 -0.258 29.5-105.3 -75.0 169.0 -4.3 -11.5 33.8 72 156 A R H > S+ 0 0 29 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.890 122.2 48.3 -62.0 -40.1 -7.0 -10.4 36.3 73 157 A K H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 111.1 49.0 -69.3 -41.4 -7.0 -6.9 34.8 74 158 A D H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.860 109.9 52.6 -64.9 -37.4 -7.3 -8.1 31.2 75 159 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.895 108.8 50.5 -63.7 -41.4 -10.2 -10.4 32.3 76 160 A E H X S+ 0 0 40 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.950 112.6 46.5 -59.9 -50.2 -11.9 -7.4 33.8 77 161 A R H < S+ 0 0 40 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 113.9 47.0 -58.7 -46.8 -11.4 -5.4 30.6 78 162 A Q H >< S+ 0 0 60 -4,-2.8 3,-1.0 1,-0.2 85,-0.2 0.873 111.5 51.0 -66.4 -37.5 -12.6 -8.2 28.4 79 163 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.772 109.5 50.1 -71.7 -26.7 -15.6 -8.9 30.5 80 164 A L T 3< S+ 0 0 63 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.326 89.4 112.4 -93.9 7.2 -16.7 -5.2 30.5 81 165 A A S X S- 0 0 31 -3,-1.0 3,-1.0 1,-0.1 82,-0.1 -0.401 83.1 -82.9 -74.3 155.5 -16.3 -5.1 26.7 82 166 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.301 112.4 45.1 -60.2 142.2 -19.5 -4.6 24.6 83 167 A G T 3 S+ 0 0 62 1,-0.4 2,-0.2 -3,-0.1 -3,-0.0 0.306 91.3 104.9 106.1 -5.9 -21.5 -7.8 23.9 84 168 A N < - 0 0 18 -3,-1.0 -1,-0.4 -5,-0.1 2,-0.2 -0.691 44.3-178.0-108.1 161.8 -21.4 -9.1 27.4 85 169 A M > - 0 0 99 -2,-0.2 3,-1.6 75,-0.2 21,-0.2 -0.688 42.4 -43.1-139.9-172.4 -24.0 -9.2 30.1 86 170 A L T 3 S+ 0 0 78 1,-0.2 74,-0.3 -2,-0.2 21,-0.2 -0.301 124.3 19.9 -57.0 144.5 -24.7 -10.2 33.7 87 171 A G T 3 S+ 0 0 2 19,-1.9 72,-2.2 1,-0.3 -1,-0.2 0.387 82.8 150.2 74.0 -6.5 -23.2 -13.5 34.7 88 172 A S < + 0 0 2 -3,-1.6 18,-3.4 70,-0.2 -1,-0.3 -0.411 27.7 171.6 -57.0 132.1 -20.8 -13.4 31.7 89 173 A F E -iH 161 105C 0 71,-1.3 73,-2.6 16,-0.2 2,-0.3 -0.810 29.4-161.4-142.4 174.2 -17.8 -15.4 33.0 90 174 A M E - H 0 104C 0 14,-1.8 14,-2.6 -2,-0.3 2,-0.5 -0.946 17.1-139.9-161.9 141.8 -14.4 -17.0 32.3 91 175 A I E +gH 66 103C 0 -26,-2.8 -24,-2.4 -2,-0.3 2,-0.3 -0.907 40.5 166.6 -97.4 133.8 -12.1 -19.5 33.8 92 176 A R E -gH 67 102C 0 10,-2.7 10,-3.1 -2,-0.5 2,-0.2 -0.918 41.8 -78.3-144.0 167.2 -8.5 -18.4 33.5 93 177 A D E - H 0 101C 48 -26,-0.9 8,-0.3 -2,-0.3 2,-0.2 -0.495 53.3-113.7 -66.5 133.9 -5.0 -19.0 34.7 94 178 A S - 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