==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-98 5HCK . COMPND 2 MOLECULE: HEMATOPOIETIC CELL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.HORITA,D.M.BALDISSERI,W.ZHANG,A.S.ALTIERI,T.E.SMITHGALL, . 61 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 . 6 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 8.2 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 . 1 1.6 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 . 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 PARALLEL BRIDGES PER LADDER . 0 0 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 78 A S 0 0 124 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.3 17.2 2.7 4.1 2 79 A E + 0 0 148 59,-0.2 59,-0.2 2,-0.1 2,-0.2 -0.550 360.0 131.3 -71.1 114.8 16.4 0.5 1.1 3 80 A D - 0 0 76 -2,-0.6 2,-0.0 2,-0.1 26,-0.0 -0.687 65.4 -93.7-143.9-161.7 13.0 -1.1 1.8 4 81 A I + 0 0 62 -2,-0.2 26,-2.1 26,-0.2 2,-0.4 -0.362 61.9 142.3-121.6 55.8 9.6 -1.8 0.1 5 82 A I E -AB 29 59A 25 54,-1.5 54,-3.2 24,-0.3 24,-0.3 -0.799 25.8-172.1 -99.1 136.2 7.5 1.2 1.2 6 83 A V E -AB 28 58A 0 22,-3.0 22,-3.0 -2,-0.4 2,-0.5 -0.751 17.3-133.0-118.8 168.8 5.0 2.8 -1.3 7 84 A V E -AB 27 57A 35 50,-2.2 50,-1.7 -2,-0.2 2,-0.4 -0.974 22.9-121.9-126.3 123.0 2.9 6.0 -1.1 8 85 A A E -AB 26 56A 0 18,-1.2 18,-1.0 -2,-0.5 48,-0.2 -0.464 25.2-173.1 -63.1 116.4 -0.8 5.9 -2.1 9 86 A L + 0 0 65 46,-1.0 2,-0.3 -2,-0.4 15,-0.2 0.359 67.8 37.5 -94.1 6.2 -1.1 8.5 -4.9 10 87 A Y S S- 0 0 112 13,-0.6 2,-0.1 45,-0.4 16,-0.1 -0.996 90.9 -98.6-153.1 150.8 -4.9 8.3 -5.1 11 88 A D + 0 0 88 -2,-0.3 2,-0.3 13,-0.1 12,-0.3 -0.462 50.3 160.8 -71.6 141.3 -7.8 7.9 -2.7 12 89 A Y - 0 0 97 10,-2.2 10,-0.4 -2,-0.1 2,-0.3 -0.983 26.5-140.3-155.0 163.2 -9.2 4.3 -2.3 13 90 A E - 0 0 137 -2,-0.3 7,-0.1 8,-0.2 8,-0.1 -0.968 31.6 -96.1-132.4 148.3 -11.2 2.2 0.1 14 91 A A + 0 0 30 -2,-0.3 7,-0.1 5,-0.1 3,-0.1 -0.171 45.3 158.8 -56.5 151.6 -11.0 -1.5 1.3 15 92 A I + 0 0 134 1,-0.1 -1,-0.1 2,-0.0 4,-0.1 0.465 52.5 49.3-140.8 -57.2 -13.2 -4.0 -0.6 16 93 A H S > S- 0 0 129 2,-0.1 3,-0.7 4,-0.1 -1,-0.1 0.027 96.9 -85.8 -79.1-167.6 -12.0 -7.7 -0.3 17 94 A H T 3 S+ 0 0 173 1,-0.3 2,-2.4 -3,-0.1 -1,-0.0 0.991 124.1 30.8 -66.6 -77.1 -11.0 -9.5 3.0 18 95 A E T 3 S+ 0 0 91 31,-0.1 32,-0.4 -4,-0.0 -1,-0.3 -0.283 97.4 136.6 -78.8 57.7 -7.3 -8.6 3.5 19 96 A D < - 0 0 40 -2,-2.4 2,-0.3 -3,-0.7 29,-0.2 -0.407 40.8-150.1 -97.3 177.1 -7.9 -5.2 1.8 20 97 A L - 0 0 11 30,-0.4 2,-0.5 -7,-0.1 29,-0.1 -0.949 6.1-142.5-153.0 129.8 -6.6 -1.7 2.9 21 98 A S + 0 0 48 -2,-0.3 2,-0.2 -8,-0.1 -8,-0.2 -0.784 30.5 164.1 -94.8 131.1 -8.1 1.8 2.5 22 99 A F - 0 0 15 -2,-0.5 -10,-2.2 -10,-0.4 2,-0.2 -0.711 26.8-117.7-132.9-176.2 -5.6 4.6 1.8 23 100 A Q > - 0 0 114 -12,-0.3 3,-1.2 -2,-0.2 -13,-0.6 -0.639 38.3 -88.6-121.0 178.4 -5.6 8.2 0.5 24 101 A K T 3 S+ 0 0 116 1,-0.3 -13,-0.1 -15,-0.2 -17,-0.0 0.709 126.4 22.3 -61.1 -21.5 -4.2 10.2 -2.4 25 102 A G T 3 S+ 0 0 58 -16,-0.1 -1,-0.3 -15,-0.0 -16,-0.2 -0.145 93.6 131.6-139.3 41.2 -0.9 10.9 -0.5 26 103 A D E < -A 8 0A 35 -3,-1.2 -18,-1.2 -18,-1.0 2,-0.4 -0.435 48.7-128.6 -91.3 170.4 -0.7 8.2 2.2 27 104 A Q E +A 7 0A 112 -20,-0.3 16,-0.9 -2,-0.1 17,-0.6 -0.967 28.0 169.7-123.4 132.6 2.2 6.0 3.0 28 105 A M E -AC 6 42A 0 -22,-3.0 -22,-3.0 -2,-0.4 2,-0.3 -0.986 26.3-131.0-138.6 148.9 2.1 2.1 3.3 29 106 A V E -AC 5 41A 36 12,-2.5 12,-2.6 -2,-0.3 2,-0.4 -0.693 25.0-122.0 -97.0 154.0 4.9 -0.5 3.6 30 107 A V E - C 0 40A 4 -26,-2.1 10,-0.3 10,-0.3 -26,-0.2 -0.781 18.3-170.8 -98.5 138.9 4.9 -3.6 1.3 31 108 A L S S- 0 0 83 8,-3.5 2,-0.3 -2,-0.4 9,-0.2 0.785 72.9 -9.9 -94.1 -33.2 4.8 -7.1 2.9 32 109 A E - 0 0 144 7,-1.0 2,-0.5 -28,-0.1 7,-0.4 -0.955 63.6-118.9-155.4 172.5 5.6 -9.0 -0.4 33 110 A E + 0 0 118 -2,-0.3 5,-0.1 5,-0.1 -3,-0.0 -0.957 39.6 147.9-125.2 116.7 5.9 -8.4 -4.2 34 111 A S - 0 0 107 -2,-0.5 4,-0.1 3,-0.1 -1,-0.1 0.753 51.7-107.2-110.0 -73.4 3.5 -10.3 -6.6 35 112 A G S S+ 0 0 40 2,-0.6 -1,-0.1 0, 0.0 3,-0.1 -0.380 94.0 26.9 177.8 -91.8 2.7 -8.4 -9.8 36 113 A E S S+ 0 0 161 1,-0.2 17,-1.0 17,-0.1 18,-0.4 0.940 130.9 19.0 -64.4 -46.8 -0.7 -6.8 -10.5 37 114 A W E S- D 0 52A 121 15,-0.2 -2,-0.6 16,-0.1 2,-0.3 -0.978 72.6-162.5-127.6 139.3 -1.7 -6.3 -6.8 38 115 A W E - D 0 51A 34 13,-1.3 13,-1.8 -2,-0.4 2,-0.6 -0.815 21.6-118.5-118.1 161.0 0.7 -6.3 -3.8 39 116 A K E + D 0 50A 80 -7,-0.4 -8,-3.5 -2,-0.3 -7,-1.0 -0.854 41.2 168.4 -99.9 119.5 0.0 -6.7 0.0 40 117 A A E -CD 30 49A 0 9,-2.1 9,-2.6 -2,-0.6 2,-0.6 -0.880 31.5-128.9-129.8 163.3 1.1 -3.6 2.1 41 118 A R E -CD 29 48A 81 -12,-2.6 -12,-2.5 -2,-0.3 2,-0.6 -0.924 19.4-138.2-113.9 118.4 0.6 -2.3 5.7 42 119 A S E >>> -CD 28 47A 2 5,-1.2 5,-1.5 -2,-0.6 3,-1.1 -0.593 7.6-159.7 -74.5 118.1 -0.7 1.2 6.2 43 120 A L T 345S+ 0 0 72 -16,-0.9 -1,-0.2 -2,-0.6 -15,-0.1 0.787 84.9 76.1 -69.7 -25.0 1.4 2.8 9.1 44 121 A A T 345S+ 0 0 78 -17,-0.6 -1,-0.2 1,-0.2 -16,-0.1 0.799 122.7 7.6 -57.4 -24.4 -1.4 5.4 9.6 45 122 A T T <45S- 0 0 80 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.227 98.6-117.8-140.5 13.0 -3.4 2.6 11.3 46 123 A R T <5S+ 0 0 177 -4,-0.7 -3,-0.2 1,-0.2 2,-0.2 0.819 74.8 130.1 52.5 29.1 -0.8 -0.3 11.6 47 124 A K E < -D 42 0A 132 -5,-1.5 -5,-1.2 2,-0.0 2,-0.3 -0.576 41.2-158.1-105.8 173.1 -3.2 -2.3 9.3 48 125 A E E +D 41 0A 82 -7,-0.3 -7,-0.3 -2,-0.2 2,-0.2 -0.991 27.5 120.0-155.4 145.7 -2.5 -4.2 6.1 49 126 A G E -D 40 0A 0 -9,-2.6 -9,-2.1 -2,-0.3 -30,-0.3 -0.742 61.6 -29.7-167.8-142.5 -4.2 -5.5 3.0 50 127 A Y E -D 39 0A 83 -32,-0.4 -30,-0.4 -11,-0.3 -11,-0.2 -0.579 44.8-167.8 -94.1 158.9 -4.0 -5.1 -0.8 51 128 A I E -D 38 0A 1 -13,-1.8 -13,-1.3 -2,-0.2 2,-0.3 -0.898 28.8-117.6-149.6 115.5 -2.8 -2.0 -2.7 52 129 A P E > -D 37 0A 5 0, 0.0 3,-1.4 0, 0.0 -15,-0.2 -0.318 21.6-158.7 -54.2 110.2 -3.2 -1.3 -6.5 53 130 A S G > S+ 0 0 19 -17,-1.0 3,-1.0 -2,-0.3 -16,-0.1 0.820 88.4 63.2 -62.6 -31.0 0.4 -1.1 -7.7 54 131 A N G 3 S+ 0 0 110 -18,-0.4 -1,-0.3 1,-0.3 -17,-0.1 0.665 106.6 44.9 -71.2 -12.6 -0.8 0.8 -10.9 55 132 A Y G < S+ 0 0 128 -3,-1.4 -46,-1.0 -45,-0.0 -45,-0.4 -0.234 107.7 64.1-122.9 45.2 -2.0 3.7 -8.6 56 133 A V E < S-B 8 0A 23 -3,-1.0 2,-0.5 -48,-0.2 -48,-0.2 -0.972 72.0-119.4-156.0 170.0 0.9 4.1 -6.2 57 134 A A E -B 7 0A 29 -50,-1.7 -50,-2.2 -2,-0.3 2,-0.5 -0.962 23.1-150.8-121.5 119.0 4.6 5.0 -5.9 58 135 A R E +B 6 0A 112 -2,-0.5 2,-0.3 -52,-0.3 -52,-0.3 -0.763 22.1 169.7 -92.9 128.7 7.1 2.4 -4.6 59 136 A V E -B 5 0A 66 -54,-3.2 -54,-1.5 -2,-0.5 2,-0.5 -0.932 33.9-137.0-133.5 157.5 10.2 3.7 -2.8 60 137 A D 0 0 71 -2,-0.3 -56,-0.1 -56,-0.2 -54,-0.1 -0.570 360.0 360.0-113.6 68.5 13.0 2.1 -0.8 61 138 A S 0 0 98 -2,-0.5 -59,-0.2 -59,-0.2 -2,-0.1 -0.847 360.0 360.0-131.1 360.0 13.4 4.5 2.2