==== 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 4HCK . 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) . 4362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 41.0 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 . 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 . 8 13.1 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 . 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 . 1 0 0 3 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 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 78 A S 0 0 166 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.1 20.0 -0.0 0.9 2 79 A E - 0 0 127 1,-0.1 2,-0.2 2,-0.0 58,-0.1 -0.072 360.0-157.0 -72.7-177.6 16.5 0.7 -0.3 3 80 A D - 0 0 81 2,-0.1 58,-0.1 58,-0.0 -1,-0.1 -0.530 30.1 -92.6-139.2-152.7 13.4 -1.0 1.2 4 81 A I + 0 0 66 -2,-0.2 26,-1.8 26,-0.1 2,-0.5 -0.168 67.5 132.8-127.4 43.6 9.8 -1.7 0.0 5 82 A I E -AB 29 59A 18 54,-1.6 54,-3.0 24,-0.2 56,-0.5 -0.799 31.4-174.4 -96.5 132.9 7.8 1.3 1.3 6 83 A V E -AB 28 58A 0 22,-2.7 22,-3.3 -2,-0.5 2,-0.4 -0.770 17.2-135.3-120.5 168.1 5.4 2.9 -1.2 7 84 A V E -AB 27 57A 37 50,-2.0 50,-1.5 -2,-0.3 2,-0.6 -0.979 19.3-125.6-125.2 133.7 3.1 6.0 -1.2 8 85 A A E -AB 26 56A 0 18,-2.0 18,-0.9 -2,-0.4 48,-0.2 -0.657 20.7-173.1 -78.9 121.0 -0.5 6.1 -2.4 9 86 A L S S+ 0 0 74 46,-1.5 2,-0.3 -2,-0.6 15,-0.2 0.388 70.4 33.9 -94.2 3.3 -0.8 8.9 -5.0 10 87 A Y S S- 0 0 114 13,-0.6 16,-0.1 45,-0.4 2,-0.1 -0.994 92.5 -94.8-153.2 152.9 -4.6 8.6 -5.2 11 88 A D + 0 0 91 -2,-0.3 2,-0.3 13,-0.1 12,-0.2 -0.437 45.0 175.2 -70.0 142.6 -7.5 7.7 -2.8 12 89 A Y B -F 22 0B 73 10,-1.9 10,-0.7 -2,-0.1 2,-0.4 -0.965 19.8-146.7-151.7 131.9 -8.6 4.1 -2.8 13 90 A E - 0 0 138 -2,-0.3 8,-0.1 8,-0.2 7,-0.1 -0.797 28.0-110.1-101.9 141.0 -11.1 2.1 -0.7 14 91 A A + 0 0 21 -2,-0.4 -1,-0.1 5,-0.1 3,-0.1 0.098 30.0 179.5 -54.7 177.0 -10.7 -1.6 0.3 15 92 A I + 0 0 120 1,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.130 55.6 37.3-174.3 35.6 -12.9 -4.3 -1.2 16 93 A H S > S- 0 0 142 1,-0.2 3,-0.6 34,-0.1 -2,-0.0 -0.901 93.0 -72.5-167.5-164.7 -11.9 -7.7 0.2 17 94 A H T 3 S+ 0 0 178 -2,-0.2 2,-1.5 1,-0.2 -1,-0.2 0.983 126.3 24.3 -73.3 -74.4 -10.7 -9.6 3.4 18 95 A E T 3 S+ 0 0 75 -3,-0.1 32,-0.7 31,-0.1 -1,-0.2 -0.292 98.6 136.2 -86.0 54.6 -7.0 -8.5 3.7 19 96 A D B < -c 50 0A 43 -2,-1.5 2,-0.3 -3,-0.6 29,-0.2 -0.388 40.1-151.7 -93.5 175.7 -7.8 -5.2 1.8 20 97 A L - 0 0 4 30,-0.6 2,-0.7 29,-0.1 29,-0.1 -0.908 7.8-148.2-154.9 124.6 -6.5 -1.7 2.7 21 98 A S + 0 0 40 -2,-0.3 -8,-0.2 -8,-0.1 2,-0.1 -0.804 28.8 170.3 -95.1 113.5 -8.0 1.8 2.0 22 99 A F B -F 12 0B 8 -2,-0.7 -10,-1.9 -10,-0.7 2,-0.2 -0.417 23.0-119.1-109.8-173.3 -5.3 4.4 1.6 23 100 A Q > - 0 0 118 -12,-0.2 3,-1.2 -2,-0.1 -13,-0.6 -0.654 34.0 -87.4-124.1 179.5 -5.3 8.0 0.4 24 101 A K T 3 S+ 0 0 116 1,-0.3 -13,-0.1 -15,-0.2 -17,-0.0 0.694 126.2 22.0 -61.1 -20.9 -3.9 10.3 -2.3 25 102 A G T 3 S+ 0 0 62 -16,-0.1 -1,-0.3 2,-0.0 -16,-0.2 -0.150 93.1 135.0-140.4 41.2 -0.7 11.0 -0.3 26 103 A D E < -A 8 0A 32 -3,-1.2 -18,-2.0 -18,-0.9 2,-0.4 -0.501 44.8-136.4 -91.0 164.3 -0.5 8.1 2.1 27 104 A Q E +A 7 0A 97 -20,-0.3 16,-1.0 -2,-0.2 17,-0.5 -0.960 25.1 172.3-121.3 135.2 2.6 6.0 3.0 28 105 A M E -AD 6 42A 0 -22,-3.3 -22,-2.7 -2,-0.4 2,-0.3 -0.984 25.9-132.1-140.3 152.0 2.6 2.2 3.3 29 106 A V E -AD 5 41A 35 12,-2.1 12,-2.8 -2,-0.3 2,-0.4 -0.783 26.5-123.9-101.4 148.0 5.2 -0.4 3.8 30 107 A V E - D 0 40A 9 -26,-1.8 10,-0.3 -2,-0.3 -26,-0.1 -0.741 19.3-172.3 -95.1 139.9 5.2 -3.6 1.6 31 108 A L E S- 0 0 85 8,-3.3 2,-0.3 -2,-0.4 9,-0.2 0.721 75.4 -0.7 -97.1 -27.5 5.0 -7.0 3.2 32 109 A E E - D 0 39A 132 7,-1.1 7,-0.6 -28,-0.1 2,-0.4 -0.988 69.6-118.7-156.1 161.3 5.5 -8.9 -0.1 33 110 A E + 0 0 159 -2,-0.3 2,-0.2 5,-0.1 3,-0.1 -0.845 42.6 141.7-107.6 143.4 6.0 -8.2 -3.9 34 111 A S - 0 0 87 -2,-0.4 4,-0.1 1,-0.4 -2,-0.0 -0.723 55.1 -57.4-153.0-156.8 3.6 -9.4 -6.6 35 112 A G S S- 0 0 50 2,-0.2 -1,-0.4 -2,-0.2 3,-0.0 0.780 99.9 -42.7 -65.1-114.0 2.0 -8.4 -9.9 36 113 A E S S+ 0 0 108 1,-0.1 17,-3.3 -3,-0.1 2,-0.9 0.645 127.8 73.6 -95.0 -16.7 -0.0 -5.2 -9.7 37 114 A W E - E 0 52A 134 15,-0.2 2,-0.3 16,-0.1 -2,-0.2 -0.812 67.1-176.7-100.6 101.1 -1.7 -6.0 -6.3 38 115 A W E - E 0 51A 56 13,-1.5 13,-1.4 -2,-0.9 2,-0.7 -0.720 24.1-130.1 -97.5 149.0 0.9 -5.6 -3.6 39 116 A K E +DE 32 50A 73 -7,-0.6 -8,-3.3 -2,-0.3 -7,-1.1 -0.838 40.9 162.0 -98.1 111.4 0.2 -6.4 0.1 40 117 A A E -DE 30 49A 0 9,-2.1 9,-2.5 -2,-0.7 2,-0.6 -0.815 37.5-121.1-127.1 169.3 1.4 -3.5 2.4 41 118 A R E -DE 29 48A 84 -12,-2.8 -12,-2.1 7,-0.3 2,-0.6 -0.925 22.7-135.2-113.0 118.6 0.8 -2.2 5.9 42 119 A S E >>> -DE 28 47A 3 5,-1.1 5,-1.4 -2,-0.6 3,-1.1 -0.572 10.5-160.9 -72.5 115.4 -0.6 1.3 6.3 43 120 A L T 345S+ 0 0 76 -16,-1.0 -1,-0.2 -2,-0.6 -15,-0.1 0.809 85.7 72.6 -67.9 -27.7 1.5 3.0 9.1 44 121 A A T 345S+ 0 0 77 -17,-0.5 -1,-0.2 1,-0.2 -16,-0.1 0.796 123.5 9.5 -58.8 -24.4 -1.3 5.6 9.6 45 122 A T T <45S- 0 0 71 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.248 98.2-119.8-137.7 10.7 -3.3 2.8 11.2 46 123 A R T <5S+ 0 0 189 -4,-0.9 -3,-0.2 1,-0.2 2,-0.2 0.800 74.4 129.4 53.1 26.8 -0.7 -0.1 11.6 47 124 A K E < - E 0 42A 105 -5,-1.4 -5,-1.1 2,-0.0 2,-0.3 -0.504 43.4-154.5-102.1 176.7 -3.1 -2.1 9.4 48 125 A E E + E 0 41A 76 -7,-0.3 -7,-0.3 -29,-0.2 2,-0.2 -0.986 28.3 120.6-155.6 143.0 -2.2 -4.1 6.2 49 126 A G E - E 0 40A 0 -9,-2.5 -9,-2.1 -2,-0.3 -30,-0.3 -0.828 59.1 -40.7-168.4-152.3 -4.0 -5.3 3.1 50 127 A Y E -cE 19 39A 83 -32,-0.7 -30,-0.6 -11,-0.2 -11,-0.2 -0.573 43.4-173.9 -93.8 158.5 -3.8 -5.1 -0.8 51 128 A I E - E 0 38A 0 -13,-1.4 -13,-1.5 -2,-0.2 2,-0.5 -0.858 32.0-117.1-155.5 115.4 -3.1 -1.9 -2.7 52 129 A P E > - E 0 37A 4 0, 0.0 3,-1.8 0, 0.0 -15,-0.2 -0.323 22.4-159.8 -54.8 104.3 -3.3 -1.4 -6.6 53 130 A S G > S+ 0 0 14 -17,-3.3 3,-1.5 -2,-0.5 -16,-0.1 0.663 80.6 83.3 -63.5 -12.4 0.4 -0.6 -7.3 54 131 A N G 3 S+ 0 0 79 -18,-0.4 -1,-0.3 1,-0.3 -17,-0.1 0.644 101.0 35.0 -68.0 -8.9 -0.9 1.0 -10.7 55 132 A Y G < S+ 0 0 134 -3,-1.8 -46,-1.5 -45,-0.1 -45,-0.4 -0.128 111.5 74.7-132.7 35.9 -1.6 4.2 -8.7 56 133 A V E < -B 8 0A 21 -3,-1.5 2,-0.4 -48,-0.2 -48,-0.2 -0.871 67.2-130.2-139.8 173.2 1.2 4.1 -6.1 57 134 A A E -B 7 0A 33 -50,-1.5 -50,-2.0 -2,-0.3 2,-0.3 -0.988 16.7-135.4-134.0 129.3 5.0 4.8 -6.0 58 135 A R E +B 6 0A 131 -2,-0.4 2,-0.3 -52,-0.2 -52,-0.3 -0.641 35.8 152.0 -85.1 137.1 7.7 2.5 -4.6 59 136 A V E -B 5 0A 54 -54,-3.0 -54,-1.6 -2,-0.3 -2,-0.0 -0.940 54.7-109.4-151.5 171.0 10.5 4.0 -2.4 60 137 A D 0 0 73 -2,-0.3 -56,-0.1 -56,-0.2 -54,-0.1 0.108 360.0 360.0 -94.4 24.1 12.8 3.0 0.5 61 138 A S 0 0 86 -56,-0.5 -33,-0.2 -58,-0.1 -2,-0.1 -0.987 360.0 360.0-153.8 360.0 10.9 5.2 3.0