==== 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 3VS1 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE HCK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.KURATANI,Y.TOMABECHI,M.TOYAMA,N.HANDA,S.YOKOYAMA . 859 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 62.3 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 . 152 17.7 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 . 7 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 19.6 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 1 2 1 2 2 4 3 1 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 . 6 2 6 2 6 2 3 1 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 4 0 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 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 0 211 0, 0.0 2,-0.2 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 91.6 2.7 38.5 16.9 2 86 A I - 0 0 52 26,-0.4 26,-1.6 54,-0.0 2,-0.4 -0.537 360.0-164.7 -79.7 137.9 4.3 35.1 17.7 3 87 A I E -A 27 0A 43 -2,-0.2 54,-1.6 24,-0.2 2,-0.2 -0.985 6.9-177.9-125.7 133.1 7.4 34.1 15.9 4 88 A V E -AB 26 56A 1 22,-2.4 22,-2.0 -2,-0.4 2,-0.3 -0.766 12.9-143.6-120.4 171.2 8.9 30.6 15.6 5 89 A V E -AB 25 55A 20 50,-2.1 50,-1.7 -2,-0.2 2,-0.5 -0.946 24.3-105.8-135.7 154.0 12.1 29.1 14.0 6 90 A A E - B 0 54A 5 18,-2.1 17,-1.8 -2,-0.3 48,-0.2 -0.696 21.2-173.2 -91.0 126.7 12.8 25.8 12.3 7 91 A L S S+ 0 0 29 46,-2.4 2,-0.3 -2,-0.5 -1,-0.1 0.752 74.6 16.2 -85.6 -27.7 14.8 23.1 14.1 8 92 A Y S S- 0 0 50 45,-0.7 -1,-0.2 13,-0.1 15,-0.1 -0.968 87.2 -93.2-142.3 157.9 15.0 20.7 11.1 9 93 A D - 0 0 74 -2,-0.3 2,-0.4 12,-0.1 12,-0.2 -0.393 42.2-166.4 -64.8 147.1 14.5 20.8 7.4 10 94 A Y B -F 20 0B 10 10,-3.2 10,-2.4 -2,-0.1 2,-0.5 -0.974 14.3-153.5-144.0 129.0 11.0 19.8 6.2 11 95 A E - 0 0 151 -2,-0.4 8,-0.1 8,-0.2 2,-0.1 -0.866 27.3-121.9 -96.9 129.4 9.6 18.8 2.8 12 96 A A + 0 0 34 -2,-0.5 7,-0.1 1,-0.1 6,-0.1 -0.433 34.8 169.3 -65.1 141.0 5.9 19.4 2.2 13 97 A I + 0 0 45 -2,-0.1 -1,-0.1 5,-0.1 2,-0.1 0.447 56.7 58.5-130.7 -12.6 4.1 16.2 1.3 14 98 A H S S- 0 0 46 4,-0.0 -2,-0.0 183,-0.0 181,-0.0 -0.224 92.9 -95.5-103.4-163.2 0.4 17.3 1.5 15 99 A H S S+ 0 0 195 1,-0.1 -3,-0.0 -2,-0.1 -1,-0.0 0.922 113.1 26.3 -82.0 -48.2 -1.6 20.0 -0.2 16 100 A E S S+ 0 0 142 2,-0.1 32,-2.3 31,-0.1 2,-0.2 0.276 93.9 106.4-107.4 10.0 -1.5 22.9 2.2 17 101 A D B -c 48 0A 14 30,-0.3 2,-0.3 20,-0.1 32,-0.2 -0.621 62.4-123.7 -94.0 153.4 1.7 22.4 4.2 18 102 A L - 0 0 12 30,-2.1 2,-0.3 -2,-0.2 -5,-0.1 -0.643 8.6-133.9 -95.1 147.2 4.8 24.4 3.8 19 103 A S + 0 0 66 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.719 35.0 170.1 -84.9 148.0 8.4 23.4 3.0 20 104 A F B -F 10 0B 11 -10,-2.4 -10,-3.2 -2,-0.3 2,-0.3 -0.987 26.0-130.1-158.4 156.5 11.1 24.9 5.1 21 105 A Q > - 0 0 128 -2,-0.3 3,-2.3 -12,-0.2 -15,-0.3 -0.698 44.0 -81.9-104.7 157.2 14.8 24.7 6.0 22 106 A K T 3 S+ 0 0 113 -2,-0.3 -15,-0.2 1,-0.3 -13,-0.1 -0.392 119.7 24.0 -54.6 117.4 16.6 24.5 9.3 23 107 A G T 3 S+ 0 0 41 -17,-1.8 -1,-0.3 1,-0.4 -16,-0.1 0.118 86.0 133.1 110.3 -20.7 16.8 28.1 10.6 24 108 A D < - 0 0 37 -3,-2.3 -18,-2.1 -19,-0.1 -1,-0.4 -0.382 43.7-148.3 -61.5 138.3 13.8 29.6 8.7 25 109 A Q E -A 5 0A 93 -20,-0.2 16,-2.2 -3,-0.1 17,-0.5 -0.682 17.2-179.0-103.7 163.9 11.5 31.7 10.8 26 110 A M E -AD 4 40A 0 -22,-2.0 -22,-2.4 14,-0.2 2,-0.5 -0.987 29.6-110.3-161.0 153.6 7.8 32.1 10.4 27 111 A V E -AD 3 39A 7 12,-2.4 12,-2.1 -2,-0.3 2,-0.4 -0.768 33.5-128.2 -90.2 126.0 4.8 33.9 11.9 28 112 A V E + D 0 38A 12 -26,-1.6 -26,-0.4 -2,-0.5 10,-0.3 -0.588 32.2 169.8 -74.6 125.5 2.2 31.7 13.7 29 113 A L E + 0 0 67 8,-3.2 2,-0.4 -2,-0.4 9,-0.2 0.796 65.4 13.6-102.8 -41.8 -1.3 32.2 12.5 30 114 A E E - D 0 37A 98 7,-2.0 7,-1.5 2,-0.0 2,-0.7 -0.996 53.8-154.1-142.9 136.8 -3.2 29.3 14.1 31 115 A E E + D 0 36A 105 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.891 33.1 149.8-108.4 102.3 -2.5 26.8 16.8 32 116 A S - 0 0 53 3,-1.1 2,-0.5 -2,-0.7 3,-0.3 -0.116 62.1 -83.3-129.7 36.0 -4.6 23.8 16.2 33 117 A G S S+ 0 0 50 1,-0.2 -1,-0.1 132,-0.0 18,-0.1 -0.888 101.5 0.2 111.7-125.4 -2.6 20.8 17.6 34 118 A E S S+ 0 0 86 -2,-0.5 17,-3.6 16,-0.1 18,-0.5 0.723 128.9 57.2 -76.8 -22.5 0.2 18.9 15.8 35 119 A W E - E 0 50A 10 -3,-0.3 -3,-1.1 15,-0.3 2,-0.4 -0.924 69.0-166.3-113.5 135.1 -0.2 21.2 12.8 36 120 A W E -DE 31 49A 52 13,-3.1 13,-2.8 -2,-0.4 2,-0.5 -0.957 21.4-128.7-119.6 137.9 0.1 25.0 12.9 37 121 A K E +DE 30 48A 63 -7,-1.5 -8,-3.2 -2,-0.4 -7,-2.0 -0.724 46.5 161.2 -78.7 128.1 -1.0 27.5 10.3 38 122 A A E -DE 28 47A 0 9,-3.5 9,-2.2 -2,-0.5 2,-0.5 -0.930 40.5-128.5-145.6 167.2 2.0 29.8 9.7 39 123 A R E -DE 27 46A 53 -12,-2.1 -12,-2.4 -2,-0.3 7,-0.2 -0.949 26.4-135.3-123.9 110.6 3.6 32.2 7.3 40 124 A S E > -D 26 0A 0 5,-2.0 4,-1.3 -2,-0.5 -14,-0.2 -0.358 4.1-154.7 -60.0 136.7 7.2 31.6 6.3 41 125 A L T 4 S+ 0 0 56 -16,-2.2 -1,-0.2 2,-0.2 -15,-0.1 0.574 94.7 54.0 -87.5 -11.5 9.3 34.8 6.3 42 126 A A T 4 S+ 0 0 67 -17,-0.5 -1,-0.2 3,-0.1 -16,-0.1 0.720 127.7 15.6 -92.6 -25.4 11.7 33.2 3.8 43 127 A T T 4 S- 0 0 60 2,-0.2 -2,-0.2 0, 0.0 3,-0.1 0.580 88.5-134.0-121.0 -21.1 9.0 32.4 1.2 44 128 A R < + 0 0 153 -4,-1.3 2,-0.3 1,-0.3 -3,-0.1 0.460 58.3 141.6 74.0 5.0 6.0 34.5 2.3 45 129 A K - 0 0 138 -6,-0.0 -5,-2.0 1,-0.0 2,-0.4 -0.568 43.5-144.1 -81.5 138.0 3.8 31.4 1.8 46 130 A E E + E 0 39A 106 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.806 45.4 99.4-100.7 143.9 1.0 30.6 4.2 47 131 A G E - E 0 38A 5 -9,-2.2 -9,-3.5 -2,-0.4 2,-0.3 -0.980 65.4 -42.5 170.1-164.0 0.2 27.0 5.2 48 132 A Y E -cE 17 37A 46 -32,-2.3 -30,-2.1 -2,-0.3 -11,-0.2 -0.729 40.3-174.8-102.8 141.7 0.5 24.3 7.7 49 133 A I E - E 0 36A 0 -13,-2.8 -13,-3.1 -2,-0.3 2,-0.5 -0.963 37.2-103.7-128.7 145.2 3.6 23.2 9.7 50 134 A P E > - E 0 35A 0 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.610 30.9-144.8 -68.5 119.5 4.2 20.4 12.1 51 135 A S G > S+ 0 0 28 -17,-3.6 3,-0.6 -2,-0.5 -16,-0.1 0.654 95.4 60.7 -65.1 -18.3 4.2 22.1 15.4 52 136 A N G 3 S+ 0 0 62 -18,-0.5 -1,-0.3 1,-0.2 -17,-0.1 0.375 94.7 65.2 -88.0 3.5 6.9 19.8 16.9 53 137 A Y G < S+ 0 0 5 -3,-2.1 -46,-2.4 105,-0.1 -45,-0.7 0.500 101.3 53.7 -99.7 -9.2 9.3 21.0 14.2 54 138 A V E < -B 6 0A 11 -3,-0.6 2,-0.3 -4,-0.3 -48,-0.2 -0.913 59.0-168.1-129.9 154.1 9.5 24.5 15.5 55 139 A A E -B 5 0A 5 -50,-1.7 -50,-2.1 -2,-0.3 3,-0.1 -0.962 40.6 -84.0-136.3 155.4 10.2 26.4 18.7 56 140 A R E > -B 4 0A 150 -2,-0.3 3,-1.6 -52,-0.2 6,-0.3 -0.313 60.4 -95.9 -57.7 137.8 9.7 30.0 19.9 57 141 A V T 3 S+ 0 0 50 -54,-1.6 -1,-0.1 1,-0.3 3,-0.1 -0.231 105.5 11.3 -60.9 143.3 12.7 32.1 18.8 58 142 A D T 3 S+ 0 0 154 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.607 98.3 129.2 63.0 13.7 15.5 32.7 21.4 59 143 A S S X S- 0 0 34 -3,-1.6 3,-2.4 1,-0.1 4,-0.3 -0.678 75.5-102.9 -96.3 157.5 13.9 29.9 23.6 60 144 A L G > S+ 0 0 47 1,-0.3 3,-2.0 -2,-0.3 6,-0.3 0.753 114.8 66.7 -51.8 -34.6 16.1 27.1 24.9 61 145 A E G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -5,-0.1 5,-0.1 0.698 89.0 68.2 -63.9 -18.7 14.8 24.5 22.4 62 146 A T G < S+ 0 0 34 -3,-2.4 -1,-0.3 -6,-0.3 2,-0.2 0.713 83.0 92.4 -72.4 -20.7 16.5 26.5 19.6 63 147 A E S X S- 0 0 59 -3,-2.0 3,-0.9 -4,-0.3 -56,-0.0 -0.520 78.1-136.0 -77.1 143.1 19.9 25.5 21.1 64 148 A E T 3 S+ 0 0 118 1,-0.2 -1,-0.1 -2,-0.2 90,-0.1 0.653 103.3 51.1 -73.2 -16.2 21.5 22.4 19.7 65 149 A W T 3 S+ 0 0 16 -5,-0.1 26,-3.4 88,-0.1 2,-0.4 0.422 91.2 91.9-102.6 -0.8 22.5 21.2 23.2 66 150 A F E < -g 91 0C 17 -3,-0.9 2,-0.4 -6,-0.3 26,-0.2 -0.787 50.0-173.3 -98.7 140.9 19.0 21.5 24.8 67 151 A F E > -g 92 0C 16 24,-2.5 3,-0.8 -2,-0.4 26,-0.6 -0.861 14.9-147.8-135.9 98.8 16.6 18.6 24.9 68 152 A K T 3 S+ 0 0 122 -2,-0.4 24,-0.1 1,-0.2 -2,-0.0 -0.388 74.1 7.0 -72.1 139.0 13.1 19.4 26.2 69 153 A G T 3 S+ 0 0 51 1,-0.2 2,-0.6 -2,-0.1 -1,-0.2 0.777 86.4 148.4 69.9 31.7 11.0 16.8 28.1 70 154 A I < - 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