==== 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 3VS6 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE HCK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KURATANI,K.HONDA,Y.TOMABECHI,M.TOYAMA,N.HANDA,S.YOKOYAMA . 870 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 18.2 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 . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 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 . 62 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 20.5 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 4 2 1 0 4 2 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 . 10 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 . 7 1 6 5 4 1 2 3 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 0 6 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 0 209 0, 0.0 2,-0.5 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 98.7 38.8 1.8 70.4 2 86 A I - 0 0 58 26,-0.5 26,-2.5 54,-0.0 2,-0.5 -0.750 360.0-168.5 -91.4 122.3 35.3 3.1 69.5 3 87 A I E -A 27 0A 46 -2,-0.5 54,-1.8 24,-0.2 2,-0.2 -0.941 7.5-179.2-111.7 126.4 34.4 6.5 70.9 4 88 A V E -AB 26 56A 2 22,-2.2 22,-2.2 -2,-0.5 2,-0.3 -0.743 15.0-140.8-114.9 167.8 30.8 7.8 70.7 5 89 A V E -AB 25 55A 23 50,-2.4 50,-1.5 -2,-0.2 2,-0.3 -0.958 23.5-108.7-131.0 148.1 29.1 11.1 71.8 6 90 A A E - B 0 54A 4 18,-2.1 17,-1.5 -2,-0.3 48,-0.2 -0.614 19.9-169.9 -81.7 132.4 25.6 11.7 73.3 7 91 A L S S+ 0 0 31 46,-3.3 2,-0.3 -2,-0.3 47,-0.2 0.723 74.3 16.9 -89.9 -26.2 23.0 13.3 71.1 8 92 A Y S S- 0 0 59 45,-0.9 2,-0.2 13,-0.1 15,-0.2 -0.899 86.9 -92.1-138.0 166.9 20.6 13.9 74.0 9 93 A D - 0 0 80 -2,-0.3 2,-0.3 13,-0.1 12,-0.2 -0.563 40.7-171.9 -73.9 146.1 20.4 13.9 77.8 10 94 A Y B -F 20 0B 14 10,-2.4 10,-2.4 -2,-0.2 2,-0.5 -0.994 12.5-157.2-142.9 140.5 19.5 10.6 79.5 11 95 A E - 0 0 152 -2,-0.3 8,-0.1 8,-0.2 7,-0.1 -0.971 26.7-119.1-120.6 121.4 18.8 9.9 83.1 12 96 A A + 0 0 33 -2,-0.5 7,-0.1 1,-0.1 6,-0.0 -0.263 36.9 164.7 -60.6 143.4 19.2 6.3 84.4 13 97 A I + 0 0 47 5,-0.1 -1,-0.1 193,-0.0 2,-0.1 0.285 57.2 69.1-137.9 -4.0 16.1 4.6 85.8 14 98 A H S S- 0 0 38 191,-0.0 -2,-0.0 1,-0.0 158,-0.0 -0.372 92.4 -97.6-106.0-169.7 17.3 1.0 85.9 15 99 A H S S+ 0 0 194 -2,-0.1 -3,-0.0 1,-0.1 -1,-0.0 0.905 113.3 17.7 -78.4 -42.4 19.9 -0.9 88.0 16 100 A E S S+ 0 0 126 2,-0.1 32,-2.1 31,-0.0 -1,-0.1 0.287 93.4 111.7-120.2 7.1 22.9 -0.8 85.7 17 101 A D B -c 48 0A 11 30,-0.2 2,-0.3 1,-0.1 32,-0.2 -0.477 61.1-123.9 -79.8 157.6 22.2 1.9 83.1 18 102 A L - 0 0 17 30,-2.9 2,-0.3 -2,-0.1 -5,-0.1 -0.734 9.5-135.2-102.4 150.3 24.3 5.1 83.1 19 103 A S + 0 0 65 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.804 33.5 163.2 -97.6 145.6 23.2 8.7 83.3 20 104 A F B -F 10 0B 12 -10,-2.4 -10,-2.4 -2,-0.3 2,-0.2 -0.994 31.6-124.1-156.2 160.2 24.8 11.3 80.9 21 105 A Q > - 0 0 135 -2,-0.3 3,-1.5 -12,-0.2 2,-0.3 -0.644 45.7 -87.2 -98.0 163.4 24.4 14.8 79.4 22 106 A K T 3 S+ 0 0 112 1,-0.2 -15,-0.2 -2,-0.2 -13,-0.1 -0.552 117.4 32.9 -67.3 127.2 24.3 15.7 75.8 23 107 A G T 3 S+ 0 0 44 -17,-1.5 -1,-0.2 1,-0.4 -16,-0.1 0.042 84.8 134.7 110.3 -25.6 27.9 16.2 74.6 24 108 A D < - 0 0 34 -3,-1.5 -18,-2.1 -19,-0.1 -1,-0.4 -0.296 47.5-140.3 -58.2 135.9 29.4 13.5 76.9 25 109 A Q E -A 5 0A 85 -20,-0.2 16,-2.4 -3,-0.1 17,-0.5 -0.809 21.6-175.7-100.6 144.9 31.9 11.1 75.2 26 110 A M E -AD 4 40A 0 -22,-2.2 -22,-2.2 -2,-0.4 2,-0.6 -0.960 25.9-121.1-139.9 152.4 31.9 7.4 76.1 27 111 A V E -AD 3 39A 8 12,-2.8 12,-1.9 -2,-0.3 2,-0.4 -0.861 28.7-129.5 -98.0 120.4 34.0 4.4 75.2 28 112 A V E + D 0 38A 19 -26,-2.5 -26,-0.5 -2,-0.6 10,-0.3 -0.556 33.5 167.7 -71.2 120.4 32.0 1.5 73.6 29 113 A L E + 0 0 66 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.687 69.0 10.0-101.6 -27.1 32.7 -1.7 75.4 30 114 A E E - D 0 37A 105 7,-2.1 7,-2.5 2,-0.0 2,-0.5 -0.841 56.8-155.5-162.4 116.0 30.0 -3.9 73.9 31 115 A E + 0 0 98 -2,-0.3 5,-0.1 5,-0.2 3,-0.1 -0.824 32.9 145.4 -91.8 129.1 27.5 -3.4 71.0 32 116 A S > - 0 0 75 -2,-0.5 3,-0.6 3,-0.4 2,-0.3 -0.200 60.2 -79.1-163.8 55.3 24.4 -5.6 71.4 33 117 A G T 3 S- 0 0 49 1,-0.2 -1,-0.3 17,-0.0 18,-0.2 -0.631 101.1 -1.7 92.1-138.3 21.2 -4.0 70.1 34 118 A E T 3 S+ 0 0 89 -2,-0.3 17,-2.8 16,-0.1 2,-0.5 0.765 130.2 51.2 -67.2 -28.3 19.0 -1.3 71.8 35 119 A W E < S- E 0 50A 14 -3,-0.6 -3,-0.4 15,-0.3 2,-0.3 -0.951 70.2-170.6-113.7 131.5 21.3 -1.3 74.9 36 120 A W E - E 0 49A 43 13,-3.2 13,-2.5 -2,-0.5 2,-0.5 -0.860 22.4-126.5-114.9 153.2 25.1 -0.9 74.7 37 121 A K E +DE 30 48A 59 -7,-2.5 -8,-2.9 -2,-0.3 -7,-2.1 -0.881 45.3 154.8 -97.2 126.5 27.8 -1.3 77.3 38 122 A A E -DE 28 47A 0 9,-2.7 9,-2.1 -2,-0.5 2,-0.5 -0.898 41.0-123.4-143.7 169.6 30.0 1.7 77.6 39 123 A R E -DE 27 46A 49 -12,-1.9 -12,-2.8 -2,-0.3 2,-0.4 -0.978 26.9-131.2-122.1 121.0 32.3 3.8 79.9 40 124 A S E > -D 26 0A 1 5,-1.9 4,-3.1 -2,-0.5 3,-0.3 -0.525 6.2-155.0 -68.6 121.7 31.6 7.5 80.5 41 125 A L T 4 S+ 0 0 56 -16,-2.4 -1,-0.2 -2,-0.4 -15,-0.1 0.682 95.6 54.1 -70.1 -15.7 34.7 9.6 80.0 42 126 A A T 4 S+ 0 0 69 -17,-0.5 -1,-0.2 3,-0.1 -16,-0.1 0.780 127.9 14.1 -86.3 -31.5 33.2 12.1 82.3 43 127 A T T 4 S- 0 0 67 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.489 89.1-132.7-122.1 -12.0 32.5 9.8 85.2 44 128 A R < + 0 0 153 -4,-3.1 2,-0.3 1,-0.2 -3,-0.1 0.625 57.2 143.4 65.0 16.1 34.5 6.7 84.4 45 129 A K - 0 0 133 -5,-0.2 -5,-1.9 1,-0.0 2,-0.4 -0.634 44.8-139.9 -88.3 142.2 31.5 4.5 85.2 46 130 A E E + E 0 39A 108 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.855 47.7 105.9 -99.3 138.0 30.8 1.3 83.2 47 131 A G E - E 0 38A 4 -9,-2.1 -9,-2.7 -2,-0.4 2,-0.3 -0.967 61.7 -50.6-179.9-166.4 27.2 0.6 82.4 48 132 A Y E +cE 17 37A 59 -32,-2.1 -30,-2.9 -2,-0.3 -11,-0.2 -0.719 39.8 179.5 -99.4 144.1 24.3 0.4 79.8 49 133 A I E - E 0 36A 0 -13,-2.5 -13,-3.2 -2,-0.3 2,-0.4 -0.971 38.2-100.3-135.5 151.4 23.2 3.1 77.4 50 134 A P E > - E 0 35A 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.619 28.0-142.7 -68.6 123.6 20.5 3.3 74.7 51 135 A S G > S+ 0 0 32 -17,-2.8 3,-1.0 -2,-0.4 -16,-0.1 0.808 98.5 59.8 -59.3 -29.9 22.2 2.8 71.4 52 136 A N G 3 S+ 0 0 68 -18,-0.4 -1,-0.3 1,-0.2 -17,-0.1 0.248 93.8 64.3 -85.5 13.7 19.9 5.3 69.8 53 137 A Y G < S+ 0 0 12 -3,-1.9 -46,-3.3 113,-0.1 -45,-0.9 0.443 104.0 49.8-107.3 -5.9 21.0 8.2 72.1 54 138 A V E < -B 6 0A 9 -3,-1.0 2,-0.3 -4,-0.3 -48,-0.2 -0.796 55.5-176.1-128.5 167.8 24.6 8.1 70.7 55 139 A A E -B 5 0A 7 -50,-1.5 -50,-2.4 -2,-0.3 3,-0.1 -0.952 45.1 -76.5-158.7 152.2 26.6 8.2 67.5 56 140 A R E > -B 4 0A 117 -2,-0.3 3,-1.6 -52,-0.2 -52,-0.2 -0.149 66.5 -85.0 -52.3 144.2 30.3 8.0 66.6 57 141 A V T 3 S- 0 0 46 -54,-1.8 -1,-0.1 1,-0.3 3,-0.1 -0.199 105.9 -1.3 -59.9 137.1 32.2 11.2 67.2 58 142 A D T 3 S+ 0 0 149 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.636 97.3 136.1 56.9 17.7 32.2 13.9 64.5 59 143 A S S X S- 0 0 34 -3,-1.6 3,-1.2 -4,-0.1 4,-0.4 -0.310 74.1 -92.5 -80.2 175.9 30.0 11.7 62.2 60 144 A L G > S+ 0 0 49 1,-0.3 3,-1.7 2,-0.2 6,-0.2 0.849 121.8 61.7 -62.8 -36.9 27.1 13.2 60.4 61 145 A E G 3 S+ 0 0 75 1,-0.3 -1,-0.3 -5,-0.1 5,-0.1 0.666 90.2 70.4 -66.7 -18.1 24.5 12.4 63.0 62 146 A T G < S+ 0 0 35 -3,-1.2 -1,-0.3 -6,-0.2 2,-0.2 0.769 82.4 93.0 -65.5 -26.8 26.4 14.6 65.5 63 147 A E S X S- 0 0 78 -3,-1.7 3,-1.2 -4,-0.4 -4,-0.0 -0.486 74.2-139.9 -79.1 140.4 25.2 17.6 63.5 64 148 A E T 3 S+ 0 0 98 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.793 101.9 52.8 -66.7 -32.2 22.0 19.5 64.4 65 149 A W T 3 S+ 0 0 13 96,-0.1 26,-3.1 25,-0.1 2,-0.4 0.451 93.0 94.0 -84.3 -1.9 20.9 20.0 60.8 66 150 A F E < -g 91 0C 14 -3,-1.2 2,-0.4 -6,-0.2 26,-0.2 -0.788 50.4-173.7-101.5 138.6 21.2 16.3 60.0 67 151 A F E > -g 92 0C 17 24,-2.5 26,-0.8 -2,-0.4 3,-0.6 -0.969 11.5-150.6-134.0 115.7 18.4 13.7 60.1 68 152 A K T 3 S+ 0 0 111 -2,-0.4 24,-0.0 1,-0.2 -2,-0.0 -0.687 73.4 5.1 -94.0 134.6 18.9 10.0 59.6 69 153 A G T 3 S+ 0 0 66 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.794 84.5 145.8 70.5 30.8 16.3 7.6 58.2 70 154 A I < - 0 0 30 -3,-0.6 -1,-0.2 23,-0.1 -3,-0.1 -0.894 39.9-142.6-104.1 118.2 13.7 10.3 57.4 71 155 A S > - 0 0 22 -2,-0.6 4,-2.6 1,-0.1 5,-0.2 -0.267 31.6-103.7 -67.0 162.3 11.5 9.8 54.3 72 156 A R H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.901 126.3 48.3 -53.9 -39.7 10.6 12.8 52.1 73 157 A K H > S+ 0 0 25 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.829 108.6 52.1 -73.3 -32.6 7.1 12.6 53.7 74 158 A D H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.883 108.5 52.8 -66.9 -39.0 8.5 12.4 57.3 75 159 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.920 109.9 47.2 -61.2 -46.9 10.6 15.5 56.5 76 160 A E H X S+ 0 0 37 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.897 113.5 48.1 -63.0 -41.6 7.6 17.4 55.4 77 161 A R H < S+ 0 0 44 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.933 114.4 46.9 -63.3 -44.1 5.6 16.3 58.5 78 162 A Q H >< S+ 0 0 74 -4,-2.8 3,-0.6 1,-0.2 85,-0.2 0.876 113.9 46.4 -66.4 -39.7 8.5 17.2 60.8 79 163 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.0 53.8 -72.3 -35.6 9.1 20.7 59.2 80 164 A L T 3< S+ 0 0 64 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.447 88.9 107.0 -80.4 1.2 5.4 21.7 59.2 81 165 A A S X S- 0 0 40 -3,-0.6 3,-0.5 -4,-0.3 82,-0.2 -0.686 84.7 -86.7 -84.8 135.0 5.3 20.9 62.9 82 166 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.145 108.7 50.2 -34.0 140.9 5.1 23.8 65.5 83 167 A G T 3 S+ 0 0 54 1,-0.5 2,-0.2 -3,-0.1 -3,-0.1 0.267 94.9 93.5 102.2 -8.5 8.3 25.4 66.7 84 168 A N < + 0 0 22 -3,-0.5 -1,-0.5 -5,-0.1 2,-0.2 -0.597 47.7 174.3-111.0 176.0 9.6 25.9 63.1 85 169 A M > - 0 0 98 75,-0.2 3,-1.8 -2,-0.2 21,-0.2 -0.804 44.5 -29.5-158.4-168.7 9.5 28.8 60.6 86 170 A L T 3 S+ 0 0 87 1,-0.3 74,-0.4 -2,-0.2 21,-0.2 -0.326 126.0 18.6 -60.1 141.5 10.6 30.0 57.2 87 171 A G T 3 S+ 0 0 0 19,-2.1 72,-1.7 1,-0.3 -1,-0.3 0.415 83.4 151.3 75.1 -4.7 14.0 28.6 56.1 88 172 A S < + 0 0 2 -3,-1.8 18,-3.2 70,-0.2 -1,-0.3 -0.446 28.1 173.5 -56.7 129.1 13.7 25.9 58.7 89 173 A F E -iH 161 105C 0 71,-1.3 73,-2.7 16,-0.2 2,-0.3 -0.826 28.7-168.4-140.5 172.2 15.7 23.1 57.1 90 174 A M E - H 0 104C 0 14,-1.4 14,-2.5 -2,-0.3 2,-0.4 -0.956 17.1-140.9-161.0 146.0 17.3 19.7 57.3 91 175 A I E +gH 66 103C 0 -26,-3.1 -24,-2.5 -2,-0.3 2,-0.3 -0.948 36.6 162.7-107.6 138.7 19.7 17.5 55.5 92 176 A R E -gH 67 102C 0 10,-2.5 10,-3.2 -2,-0.4 -24,-0.2 -0.925 43.3 -77.4-149.8 164.8 18.7 13.8 55.3 93 177 A D E - H 0 101C 33 -26,-0.8 8,-0.3 -2,-0.3 2,-0.1 -0.471 55.0-107.1 -69.5 138.6 19.4 10.5 53.4 94 178 A S - 0 0 2 6,-3.8 5,-0.3 3,-0.3 6,-0.2 -0.431 21.7-158.3 -66.6 141.3 17.8 10.3 50.0 95 179 A E S S+ 0 0 98 -2,-0.1 3,-0.2 3,-0.1 -1,-0.1 0.790 92.8 32.7 -88.5 -31.3 14.8 8.0 49.8 96 180 A T S S+ 0 0 65 1,-0.2 2,-0.4 2,-0.0 -1,-0.1 0.637 120.7 47.6-100.9 -20.8 15.0 7.5 46.1 97 181 A T S > S- 0 0 54 3,-0.1 3,-1.8 0, 0.0 -3,-0.3 -0.758 85.3-149.5-124.2 82.8 18.8 7.7 45.5 98 182 A K T 3 S+ 0 0 163 -2,-0.4 3,-0.1 1,-0.3 -3,-0.1 -0.312 79.8 29.4 -68.4 125.9 20.3 5.5 48.1 99 183 A G T 3 S+ 0 0 59 1,-0.5 -1,-0.3 -5,-0.3 2,-0.2 0.219 107.5 92.1 110.2 -8.9 23.8 6.6 49.3 100 184 A S < - 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