==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-SEP-98 1BWN . COMPND 2 MOLECULE: BRUTON'S TYROSINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.DJINOVIC CARUGO,E.BARALDI,M.HYVOENEN,P.LO SURDO,A.RILEY,B. . 327 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17971.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 59.6 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 . 91 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 5 1.5 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 . 1 0.3 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 . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 1 0 1 0 0 0 0 0 0 0 0 2 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 . 1 4 0 2 2 1 3 2 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 . 2 0 0 0 0 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 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 2 A A 0 0 99 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.3 25.4 2.4 38.9 2 3 A A - 0 0 80 1,-0.1 2,-0.6 2,-0.0 31,-0.4 -0.224 360.0-114.0 -61.8 151.7 25.8 5.2 41.4 3 4 A V - 0 0 71 1,-0.2 29,-0.2 29,-0.1 3,-0.1 -0.824 28.8-172.5 -87.1 124.7 22.7 7.2 42.3 4 5 A I S S+ 0 0 61 27,-3.3 2,-0.3 -2,-0.6 -1,-0.2 0.804 70.3 1.7 -84.8 -39.5 23.3 10.7 40.9 5 6 A L E -A 31 0A 22 26,-1.0 26,-2.4 2,-0.0 -1,-0.4 -0.986 61.0-173.6-146.3 155.2 20.2 12.2 42.5 6 7 A E E +A 30 0A 46 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.961 19.8 144.8-153.2 125.9 17.5 11.0 44.8 7 8 A S E -A 29 0A 4 22,-2.2 22,-3.6 -2,-0.3 2,-0.6 -0.992 46.1-107.0-154.6 168.6 14.3 12.8 45.9 8 9 A I E +A 28 0A 0 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.873 46.3 164.0-102.9 122.0 10.7 12.6 46.8 9 10 A F E -A 27 0A 0 18,-2.4 18,-3.0 -2,-0.6 2,-0.4 -0.862 38.3-120.9-132.1 166.2 8.4 14.1 44.2 10 11 A L E -AB 26 111A 3 101,-1.9 101,-4.1 -2,-0.3 2,-0.3 -0.896 35.6-174.5-105.3 129.8 4.8 14.0 43.3 11 12 A K E -AB 25 110A 14 14,-2.6 14,-2.3 -2,-0.4 2,-0.3 -0.943 22.2-122.1-127.3 155.0 4.1 12.7 39.7 12 13 A R E -A 24 0A 16 97,-1.9 97,-0.4 -2,-0.3 12,-0.2 -0.700 39.6 -96.7 -92.1 149.3 1.0 12.4 37.6 13 14 A S - 0 0 15 10,-2.9 -1,-0.1 -2,-0.3 96,-0.1 -0.317 22.3-142.9 -62.5 144.9 -0.1 9.0 36.2 14 15 A Q - 0 0 29 94,-0.1 -1,-0.2 8,-0.0 8,-0.1 0.571 25.2-142.6 -83.0 -6.4 1.1 8.5 32.7 15 16 A Q + 0 0 54 6,-0.3 7,-0.1 1,-0.1 -2,-0.1 0.892 39.8 161.0 44.1 51.5 -2.2 6.7 32.0 16 17 A K + 0 0 119 3,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.808 59.7 63.6 -69.8 -25.2 -0.6 4.2 29.8 17 18 A K S > S- 0 0 142 1,-0.1 3,-1.2 4,-0.1 0, 0.0 -0.763 85.4-129.8-104.9 146.4 -3.6 2.0 30.3 18 19 A K T 3 S+ 0 0 207 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.825 107.4 51.5 -55.0 -38.9 -7.0 3.0 29.2 19 20 A T T 3 S+ 0 0 118 2,-0.0 -1,-0.2 -3,-0.0 -3,-0.0 0.495 86.7 115.9 -78.8 -10.4 -8.6 2.2 32.5 20 21 A S < - 0 0 33 -3,-1.2 2,-0.1 1,-0.1 0, 0.0 -0.453 59.5-134.1 -69.6 141.9 -6.1 4.3 34.4 21 22 A P - 0 0 75 0, 0.0 2,-1.0 0, 0.0 -6,-0.3 -0.365 20.4-111.3 -84.8 164.6 -7.2 7.4 36.3 22 23 A L + 0 0 67 -2,-0.1 2,-0.3 -8,-0.1 -8,-0.0 -0.827 64.0 135.9 -94.9 98.9 -5.4 10.7 36.3 23 24 A N - 0 0 51 -2,-1.0 -10,-2.9 2,-0.0 2,-0.4 -0.834 49.2-116.1-141.4 173.8 -4.0 11.0 39.7 24 25 A F E -A 12 0A 44 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.950 24.0-173.5-116.2 143.2 -1.0 12.0 41.5 25 26 A K E -A 11 0A 78 -14,-2.3 -14,-2.6 -2,-0.4 2,-0.3 -0.993 24.7-124.3-135.5 147.2 1.4 9.9 43.6 26 27 A K E +A 10 0A 7 -2,-0.3 15,-0.4 -16,-0.2 2,-0.3 -0.684 41.1 173.3 -89.3 132.3 4.4 10.6 45.8 27 28 A R E -A 9 0A 18 -18,-3.0 -18,-2.4 -2,-0.3 2,-0.7 -0.986 38.8-118.0-140.3 153.6 7.4 8.7 44.8 28 29 A L E -AC 8 39A 4 11,-2.8 11,-2.5 -2,-0.3 2,-0.5 -0.784 36.6-159.1 -88.0 120.8 11.0 8.3 45.5 29 30 A F E -AC 7 38A 2 -22,-3.6 -22,-2.2 -2,-0.7 2,-0.4 -0.851 10.1-174.5-100.6 137.0 12.8 9.1 42.3 30 31 A L E -AC 6 37A 11 7,-2.8 7,-2.7 -2,-0.5 2,-0.5 -0.986 8.1-155.8-124.0 147.8 16.3 8.0 41.7 31 32 A L E +AC 5 36A 0 -26,-2.4 -27,-3.3 -2,-0.4 -26,-1.0 -0.964 19.5 159.9-120.5 126.1 18.5 8.9 38.8 32 33 A T - 0 0 24 3,-2.7 -29,-0.1 -2,-0.5 25,-0.1 -0.746 56.8 -95.7-120.7-179.1 21.4 6.9 37.4 33 34 A V S S+ 0 0 90 -31,-0.4 3,-0.1 -2,-0.2 25,-0.1 0.732 125.2 45.7 -69.0 -19.4 23.1 7.0 34.1 34 35 A H S S+ 0 0 120 1,-0.3 23,-2.4 23,-0.1 24,-0.4 0.842 120.4 1.4 -85.2 -47.0 20.9 4.1 33.0 35 36 A K E - D 0 56A 61 21,-0.3 -3,-2.7 22,-0.1 2,-0.7 -0.999 43.7-135.1-144.1 159.1 17.5 5.2 34.3 36 37 A L E +CD 31 55A 2 19,-2.7 19,-3.0 -2,-0.3 2,-0.3 -0.962 46.6 176.5-106.8 111.7 15.2 7.5 35.9 37 38 A S E -CD 30 54A 11 -7,-2.7 -7,-2.8 -2,-0.7 2,-0.4 -0.905 18.5-157.0-119.9 157.7 13.3 5.3 38.2 38 39 A Y E -CD 29 53A 19 15,-2.7 14,-3.1 -2,-0.3 15,-1.5 -0.992 10.7-175.9-137.5 143.7 10.6 5.8 40.7 39 40 A Y E -CD 28 51A 35 -11,-2.5 -11,-2.8 -2,-0.4 12,-0.2 -0.892 36.4 -94.9-130.8 161.6 9.4 3.8 43.7 40 41 A K E - 0 0 78 10,-2.7 9,-2.9 -2,-0.3 2,-0.6 -0.433 46.6-131.4 -65.1 138.5 6.9 3.6 46.4 41 42 A Y E - D 0 48A 3 -15,-0.4 2,-1.4 7,-0.2 7,-0.2 -0.903 7.5-147.9-105.7 124.5 8.5 5.2 49.5 42 43 A D E > + D 0 47A 26 5,-3.7 5,-3.2 -2,-0.6 4,-0.2 -0.745 20.2 178.5 -95.1 90.5 8.2 3.3 52.6 43 44 A F T > 5S+ 0 0 7 -2,-1.4 3,-1.6 3,-0.2 -1,-0.2 0.929 72.7 57.6 -58.1 -53.2 8.0 6.1 55.1 44 45 A E T 3 5S+ 0 0 53 1,-0.3 150,-0.2 -3,-0.2 -1,-0.2 0.927 117.4 33.2 -43.2 -57.7 7.6 4.0 58.2 45 46 A R T 3 5S- 0 0 179 2,-0.2 -1,-0.3 148,-0.1 -2,-0.2 0.380 109.2-124.0 -86.1 7.0 10.8 2.1 57.5 46 47 A G T < 5 + 0 0 15 -3,-1.6 2,-0.3 -4,-0.2 -3,-0.2 0.937 69.8 110.0 53.9 49.4 12.4 5.0 56.0 47 48 A R E -D 35 0A 57 -2,-0.4 3,-1.8 -21,-0.2 4,-0.4 -0.597 20.6-136.6 -76.9 127.4 15.8 4.6 30.2 57 58 A V G > S+ 0 0 5 -23,-2.4 3,-1.3 -2,-0.3 -1,-0.2 0.833 101.5 59.0 -56.4 -31.5 17.9 7.6 30.1 58 59 A E G 3 S+ 0 0 135 -24,-0.4 76,-0.3 1,-0.3 75,-0.3 0.647 100.5 58.2 -77.2 -6.1 18.8 7.0 26.5 59 60 A K G < S+ 0 0 96 -3,-1.8 45,-1.0 73,-0.1 2,-0.3 0.477 79.5 108.1 -94.7 -3.4 15.2 7.2 25.5 60 61 A I E < +E 103 0A 1 -3,-1.3 43,-0.3 -4,-0.4 74,-0.2 -0.573 39.2 177.3 -78.2 132.1 14.7 10.7 26.9 61 62 A T E + 0 0 21 41,-2.7 75,-2.2 1,-0.4 2,-0.3 0.585 63.2 11.1-110.5 -10.9 14.3 13.3 24.2 62 63 A C E -E 102 0A 11 40,-1.6 40,-4.5 73,-0.2 2,-0.4 -0.909 46.7-169.5-170.1 142.8 13.6 16.3 26.3 63 64 A V E +E 101 0A 2 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.970 31.7 134.0-137.1 117.1 13.6 17.8 29.8 64 65 A E E -E 100 0A 43 36,-1.2 36,-2.7 -2,-0.4 -2,-0.0 -0.908 53.4 -89.3-147.0 175.2 12.0 21.2 30.7 65 66 A T E -E 99 0A 53 -2,-0.3 2,-0.4 34,-0.2 34,-0.2 -0.168 41.2-134.4 -75.5 176.5 9.8 23.0 33.2 66 67 A V - 0 0 6 32,-1.2 76,-0.2 33,-0.1 3,-0.1 -0.974 23.0-102.5-132.2 149.3 6.1 23.0 32.4 67 68 A V - 0 0 75 74,-3.1 76,-0.3 -2,-0.4 3,-0.1 -0.551 54.8-104.6 -66.5 135.4 3.8 26.0 32.6 68 69 A P - 0 0 85 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.253 33.1 -91.3 -65.9 158.0 1.8 25.6 35.9 69 70 A E - 0 0 50 1,-0.1 -3,-0.0 7,-0.1 73,-0.0 -0.303 33.2-132.3 -59.4 143.4 -1.7 24.5 36.3 70 71 A K S S+ 0 0 201 1,-0.3 -1,-0.1 -3,-0.1 0, 0.0 0.887 98.4 20.2 -72.3 -33.2 -4.0 27.5 36.3 71 72 A N S S- 0 0 152 6,-0.0 -1,-0.3 0, 0.0 6,-0.1 -0.533 81.7-178.8-134.8 66.2 -5.8 26.3 39.4 72 73 A P - 0 0 31 0, 0.0 5,-0.0 0, 0.0 0, 0.0 -0.288 29.7-114.7 -64.2 151.2 -3.8 23.8 41.4 73 74 A P > - 0 0 47 0, 0.0 3,-2.9 0, 0.0 4,-0.1 -0.359 43.7 -89.9 -74.0 168.6 -5.2 22.2 44.5 74 75 A P G > S+ 0 0 89 0, 0.0 3,-1.8 0, 0.0 0, 0.0 0.785 123.4 66.3 -53.4 -36.4 -3.4 23.1 47.6 75 76 A E G 3 S+ 0 0 72 1,-0.3 20,-3.0 19,-0.1 139,-0.0 0.766 113.6 34.9 -59.9 -20.8 -1.0 20.2 47.4 76 77 A R G < S+ 0 0 20 -3,-2.9 2,-0.3 18,-0.2 -1,-0.3 0.131 93.0 118.8-122.4 26.1 0.4 21.8 44.4 77 78 A Q < - 0 0 78 -3,-1.8 3,-0.1 -4,-0.1 20,-0.1 -0.698 69.7-109.6 -89.6 139.7 0.0 25.5 45.4 78 79 A I - 0 0 109 -2,-0.3 -2,-0.1 18,-0.2 -1,-0.1 -0.358 54.4 -84.7 -64.6 133.5 3.0 27.8 45.7 79 80 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 15,-0.0 -0.174 51.1-145.0 -34.2 134.5 3.6 28.6 49.4 80 81 A R - 0 0 206 2,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.961 34.4 -78.5 -82.3 -67.4 1.2 31.5 50.1 81 82 A R 0 0 248 1,-0.6 0, 0.0 0, 0.0 0, 0.0 0.007 360.0 360.0-169.5 -59.1 2.2 34.2 52.6 82 83 A G 0 0 127 0, 0.0 -1,-0.6 0, 0.0 -2,-0.3 -0.298 360.0 360.0-117.5 360.0 1.9 33.1 56.3 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 87 A S > 0 0 86 0, 0.0 4,-1.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.6 10.3 26.6 59.0 85 88 A E H >> + 0 0 10 1,-0.2 3,-0.7 2,-0.2 4,-0.7 0.959 360.0 51.1 -53.5 -45.7 8.9 23.8 61.3 86 89 A M H >> S+ 0 0 105 1,-0.2 3,-3.4 2,-0.2 4,-2.6 0.937 92.5 76.4 -52.4 -47.8 6.5 23.2 58.3 87 90 A E H 3> S+ 0 0 92 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.818 90.7 53.4 -33.9 -53.8 9.5 23.1 56.1 88 91 A Q H << S+ 0 0 3 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.871 122.8 31.2 -51.0 -34.7 10.2 19.6 57.2 89 92 A I H X< S+ 0 0 0 -3,-3.4 3,-1.6 -4,-0.7 4,-0.3 0.868 113.8 55.0 -94.8 -39.0 6.7 18.7 56.4 90 93 A S H >X S+ 0 0 9 -4,-2.6 4,-4.5 1,-0.3 3,-1.2 0.837 98.6 66.8 -64.8 -33.5 5.8 20.9 53.4 91 94 A I T 3< S+ 0 0 9 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.1 0.507 110.7 35.2 -67.8 -7.1 8.7 19.6 51.6 92 95 A I T <4 S+ 0 0 0 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.308 127.2 37.3-128.0 8.9 7.0 16.3 51.5 93 96 A E T <4 S+ 0 0 55 -3,-1.2 2,-0.5 -4,-0.3 -2,-0.2 0.560 105.6 61.7-125.4 -31.6 3.5 17.5 51.2 94 97 A R < + 0 0 76 -4,-4.5 -1,-0.2 -5,-0.1 -18,-0.2 -0.951 50.2 171.5-110.1 121.4 3.6 20.5 48.9 95 98 A F + 0 0 0 -20,-3.0 -17,-0.1 -2,-0.5 17,-0.1 -0.731 13.9 151.6-128.9 81.0 4.8 20.1 45.3 96 99 A P + 0 0 11 0, 0.0 -18,-0.2 0, 0.0 -1,-0.1 0.614 51.0 76.7 -87.6 -11.7 4.2 23.3 43.3 97 100 A Y E - F 0 112A 35 15,-2.3 15,-2.8 -20,-0.1 2,-0.1 -0.809 63.7-165.8-112.3 95.0 7.0 23.2 40.6 98 101 A P E + F 0 111A 2 0, 0.0 -32,-1.2 0, 0.0 2,-0.3 -0.419 9.9 179.5 -86.1 151.5 6.5 20.8 37.7 99 102 A F E -EF 65 110A 2 11,-2.5 11,-2.5 -34,-0.2 2,-0.4 -0.881 18.1-135.8-139.8 162.3 8.9 19.5 35.1 100 103 A Q E -EF 64 109A 2 -36,-2.7 -36,-1.2 -2,-0.3 2,-0.6 -0.963 5.2-159.8-126.7 135.8 8.5 17.1 32.2 101 104 A V E -EF 63 108A 0 7,-2.1 7,-2.6 -2,-0.4 2,-0.4 -0.986 22.0-158.9-114.5 108.7 10.7 14.3 31.1 102 105 A V E +EF 62 107A 29 -40,-4.5 -41,-2.7 -2,-0.6 -40,-1.6 -0.811 21.3 154.9 -96.9 135.6 9.8 13.6 27.5 103 106 A Y E -E 60 0A 9 3,-2.1 3,-0.3 -2,-0.4 -43,-0.2 -0.908 60.4 -70.2-149.5 175.7 10.5 10.3 25.9 104 107 A D S S+ 0 0 70 -45,-1.0 -44,-0.1 -2,-0.3 -2,-0.0 0.683 126.8 46.0 -44.3 -30.2 9.3 8.2 23.2 105 108 A E S S- 0 0 108 1,-0.3 -1,-0.2 52,-0.0 -3,-0.1 0.934 120.8 -71.3 -83.7 -45.7 6.1 7.3 24.9 106 109 A G - 0 0 6 -3,-0.3 -3,-2.1 -5,-0.1 2,-0.4 -0.925 64.4 -52.7 178.5-165.3 4.9 10.7 26.3 107 110 A P E - 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