==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SH3 DOMAIN 25-OCT-04 1WA7 . COMPND 2 MOLECULE: TYROSINE-PROTEIN KINASE LYN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.BAUER,K.SCHWEIMER,S.HOFFMANN,P.ROESCH,H.STICHT . 82 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 45.1 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 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 2 1 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 9 A Q 0 0 235 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -85.8 2.9 29.4 11.9 2 10 A G - 0 0 35 29,-0.1 28,-0.2 37,-0.0 2,-0.1 -0.906 360.0-167.0-118.6 108.4 0.3 27.3 10.3 3 11 A D - 0 0 126 -2,-0.6 26,-2.9 25,-0.1 2,-0.4 -0.332 23.2-112.3 -84.4 172.8 -0.4 28.0 6.6 4 12 A I E +A 28 0A 70 24,-0.2 54,-1.2 -2,-0.1 2,-0.3 -0.890 34.6 178.0-110.4 136.9 -3.5 26.6 4.7 5 13 A V E -AB 27 57A 7 22,-2.8 22,-3.3 -2,-0.4 2,-0.4 -0.911 19.8-135.7-131.5 160.4 -3.1 24.1 1.9 6 14 A V E -AB 26 56A 38 50,-3.2 50,-3.2 -2,-0.3 20,-0.3 -0.950 23.2-117.4-121.1 137.6 -5.7 22.3 -0.3 7 15 A A E - B 0 55A 0 18,-3.7 17,-3.7 -2,-0.4 48,-0.3 -0.498 20.0-171.1 -71.0 134.5 -5.5 18.6 -1.2 8 16 A L S S+ 0 0 75 46,-1.7 15,-0.2 1,-0.3 47,-0.2 0.612 77.4 9.4 -98.4 -15.0 -5.1 17.9 -5.0 9 17 A Y S S- 0 0 62 13,-0.2 -1,-0.3 45,-0.1 59,-0.1 -0.984 95.0 -83.1-157.4 155.5 -5.7 14.2 -4.5 10 18 A P - 0 0 46 0, 0.0 12,-0.3 0, 0.0 10,-0.1 -0.273 36.0-142.3 -62.4 146.1 -6.9 11.9 -1.6 11 19 A Y - 0 0 2 10,-2.3 60,-0.1 8,-0.1 9,-0.1 0.988 26.0-120.4 -76.3 -68.8 -4.1 10.9 0.8 12 20 A D - 0 0 87 9,-0.2 2,-1.1 7,-0.1 3,-0.3 0.594 14.9-134.2 122.8 70.9 -4.7 7.2 1.8 13 21 A G + 0 0 49 1,-0.2 7,-0.1 8,-0.1 6,-0.0 -0.286 52.8 141.2 -54.3 94.4 -5.2 6.9 5.5 14 22 A I + 0 0 100 -2,-1.1 -1,-0.2 66,-0.0 66,-0.0 0.799 52.9 65.1-105.0 -44.2 -2.9 3.9 6.0 15 23 A H S S- 0 0 34 -3,-0.3 66,-0.1 64,-0.2 65,-0.0 -0.405 89.2-120.0 -75.5 156.4 -1.2 4.8 9.3 16 24 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 65,-0.1 0.609 113.4 37.8 -72.6 -11.5 -3.5 5.0 12.5 17 25 A D S S+ 0 0 58 63,-0.4 32,-0.3 62,-0.1 64,-0.1 0.565 85.7 115.4-113.7 -16.1 -2.5 8.7 12.9 18 26 A D - 0 0 13 30,-0.2 2,-0.6 62,-0.2 32,-0.1 -0.285 67.6-125.7 -57.2 138.9 -2.4 9.9 9.3 19 27 A L - 0 0 1 30,-0.6 2,-0.3 27,-0.1 29,-0.1 -0.758 22.7-138.1 -89.0 119.0 -5.0 12.5 8.6 20 28 A S + 0 0 39 -2,-0.6 2,-0.3 -9,-0.1 26,-0.1 -0.568 29.7 169.6 -77.8 138.0 -7.1 11.4 5.6 21 29 A F - 0 0 1 -2,-0.3 -10,-2.3 -12,-0.1 2,-0.2 -0.978 20.5-141.5-143.8 155.2 -8.0 14.2 3.1 22 30 A K > - 0 0 115 -2,-0.3 3,-1.4 -12,-0.3 -13,-0.2 -0.605 39.5 -74.1-111.7 176.8 -9.5 14.1 -0.4 23 31 A K T 3 S+ 0 0 136 1,-0.2 -15,-0.3 -15,-0.2 -1,-0.1 -0.355 119.7 17.5 -67.5 151.0 -8.8 16.2 -3.6 24 32 A G T 3 S+ 0 0 49 -17,-3.7 -1,-0.2 1,-0.2 2,-0.2 0.428 96.2 134.4 69.5 -7.8 -10.0 19.8 -3.5 25 33 A E < - 0 0 42 -3,-1.4 -18,-3.7 -18,-0.2 2,-0.4 -0.488 54.8-129.4 -74.7 144.1 -10.3 19.4 0.3 26 34 A K E +A 6 0A 116 -20,-0.3 16,-1.1 -2,-0.2 2,-0.3 -0.760 29.3 179.4 -95.8 138.1 -8.9 22.2 2.4 27 35 A M E -AC 5 41A 0 -22,-3.3 -22,-2.8 -2,-0.4 2,-0.6 -0.969 24.3-130.2-136.2 151.9 -6.4 21.5 5.2 28 36 A K E -AC 4 40A 79 12,-1.9 12,-1.8 -2,-0.3 2,-0.3 -0.887 19.6-140.3-105.9 124.3 -4.5 23.6 7.8 29 37 A V E + C 0 39A 10 -26,-2.9 10,-0.2 -2,-0.6 3,-0.1 -0.612 24.6 171.7 -81.0 137.2 -0.8 23.0 8.1 30 38 A L E S+ 0 0 69 8,-1.7 2,-0.2 -2,-0.3 9,-0.2 0.729 73.6 4.0-113.9 -39.5 0.5 23.1 11.7 31 39 A E E - C 0 38A 133 7,-0.8 7,-1.1 -29,-0.0 2,-0.7 -0.682 65.7-163.0-150.8 91.4 4.1 21.9 11.5 32 40 A E - 0 0 110 5,-0.2 5,-0.2 -2,-0.2 -3,-0.0 -0.647 11.4-179.2 -79.3 115.4 5.6 21.2 8.0 33 41 A H - 0 0 103 -2,-0.7 -1,-0.1 3,-0.4 4,-0.1 0.845 53.2 -74.4 -79.1 -98.3 8.8 19.1 8.5 34 42 A G S S+ 0 0 39 2,-0.1 3,-0.1 41,-0.1 -2,-0.1 0.431 116.1 4.3-143.3 -12.3 10.4 18.3 5.1 35 43 A E S S+ 0 0 79 1,-0.2 17,-1.9 40,-0.1 2,-0.4 0.448 128.2 40.6-148.5 -25.6 8.3 15.6 3.5 36 44 A W E - D 0 51A 0 15,-0.2 -3,-0.4 16,-0.1 2,-0.3 -0.858 65.1-168.0-135.5 102.8 5.2 15.0 5.7 37 45 A W E - D 0 50A 37 13,-1.8 13,-4.2 -2,-0.4 2,-0.9 -0.696 22.0-129.5 -90.8 141.7 3.4 18.0 7.3 38 46 A K E +CD 31 49A 61 -7,-1.1 -8,-1.7 -2,-0.3 -7,-0.8 -0.758 38.3 173.8 -90.5 106.5 0.8 17.4 10.0 39 47 A A E -CD 29 48A 0 9,-1.6 9,-1.7 -2,-0.9 2,-0.4 -0.412 28.9-115.2-103.5-176.7 -2.3 19.4 8.9 40 48 A K E -CD 28 47A 57 -12,-1.8 -12,-1.9 7,-0.2 2,-0.4 -0.975 21.5-126.3-124.6 128.9 -5.8 19.7 10.4 41 49 A S E >>> -CD 27 46A 3 5,-4.3 4,-1.9 -2,-0.4 5,-1.3 -0.564 7.5-152.1 -73.4 125.2 -8.9 18.6 8.6 42 50 A L T 345S+ 0 0 76 -16,-1.1 -1,-0.2 -2,-0.4 -15,-0.1 0.638 84.0 88.9 -71.2 -8.3 -11.5 21.4 8.5 43 51 A L T 345S- 0 0 121 -17,-0.2 -1,-0.2 1,-0.2 -16,-0.0 0.967 124.4 -36.1 -53.7 -54.7 -14.1 18.5 8.3 44 52 A T T <45S- 0 0 94 -3,-0.6 -2,-0.2 2,-0.0 -1,-0.2 0.136 103.6 -64.6-161.3 29.5 -14.3 18.4 12.1 45 53 A K T <5S+ 0 0 152 -4,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.889 70.9 171.5 86.3 44.0 -10.8 19.0 13.6 46 54 A K E < -D 41 0A 88 -5,-1.3 -5,-4.3 -26,-0.1 2,-0.5 -0.708 12.8-165.7 -87.1 133.1 -8.9 16.0 12.2 47 55 A E E +D 40 0A 116 -2,-0.4 2,-0.3 -7,-0.3 -7,-0.2 -0.953 26.6 129.9-122.6 119.3 -5.1 16.2 12.8 48 56 A G E -D 39 0A 0 -9,-1.7 -9,-1.6 -2,-0.5 2,-0.3 -0.983 59.9 -78.2-158.1 167.8 -2.8 13.9 10.9 49 57 A F E -D 38 0A 14 -2,-0.3 -30,-0.6 -32,-0.3 -11,-0.3 -0.534 44.4-164.8 -73.6 133.0 0.4 13.8 8.8 50 58 A I E -D 37 0A 0 -13,-4.2 -13,-1.8 -2,-0.3 -30,-0.1 -0.954 21.9-112.8-122.1 139.4 -0.2 14.9 5.2 51 59 A P E > -D 36 0A 0 0, 0.0 4,-0.9 0, 0.0 -15,-0.2 -0.353 17.9-129.6 -68.6 145.8 2.2 14.3 2.3 52 60 A S T 4 S+ 0 0 40 -17,-1.9 -16,-0.1 1,-0.2 19,-0.1 0.427 104.1 52.7 -76.0 5.0 3.9 17.3 0.7 53 61 A N T 4 S+ 0 0 48 -18,-0.2 -1,-0.2 16,-0.1 18,-0.1 0.828 101.2 50.6-105.7 -53.1 2.8 16.0 -2.8 54 62 A Y T 4 S+ 0 0 20 15,-0.1 -46,-1.7 -46,-0.1 -2,-0.1 0.968 109.6 51.8 -51.3 -60.7 -1.0 15.4 -2.6 55 63 A V E < S-B 7 0A 4 -4,-0.9 2,-0.3 -48,-0.3 -48,-0.3 -0.397 71.9-162.0 -78.8 158.6 -1.9 18.8 -1.1 56 64 A A E -B 6 0A 16 -50,-3.2 -50,-3.2 -2,-0.1 2,-0.1 -0.919 28.6 -93.0-134.6 160.6 -0.8 22.1 -2.7 57 65 A K E -B 5 0A 125 -2,-0.3 -52,-0.2 3,-0.2 -54,-0.0 -0.438 38.7-111.5 -74.3 150.2 -0.6 25.6 -1.3 58 66 A L S S+ 0 0 130 -54,-1.2 -1,-0.1 -2,-0.1 -53,-0.1 0.818 114.8 49.5 -51.4 -27.9 -3.6 27.9 -1.9 59 67 A N 0 0 144 1,-0.2 -1,-0.1 0, 0.0 -54,-0.0 0.878 360.0 360.0 -77.3 -94.2 -1.4 29.9 -4.2 60 68 A T 0 0 159 0, 0.0 -3,-0.2 0, 0.0 -1,-0.2 -0.997 360.0 360.0-134.0 360.0 0.5 27.5 -6.7 61 !* 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 62 170 B W 0 0 282 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.6 -11.2 13.8 -20.6 63 171 B D + 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.131 360.0 45.5-167.2 -57.3 -12.2 10.2 -19.6 64 172 B P - 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.965 58.3-177.1 -67.5 -89.7 -10.7 9.1 -16.3 65 173 B G + 0 0 66 1,-0.0 0, 0.0 0, 0.0 0, 0.0 0.797 53.9 95.9 92.4 31.8 -11.1 11.9 -13.7 66 174 B M + 0 0 145 -57,-0.0 2,-0.1 2,-0.0 -57,-0.1 -0.481 46.0 161.5-154.9 77.4 -9.3 10.2 -10.8 67 175 B P + 0 0 82 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.383 7.9 169.8 -92.2 172.3 -5.6 11.2 -10.4 68 176 B T - 0 0 73 -59,-0.1 3,-0.1 -2,-0.1 -59,-0.1 -0.380 20.4-145.5 173.5 101.1 -3.3 10.8 -7.4 69 177 B P - 0 0 29 0, 0.0 -15,-0.1 0, 0.0 2,-0.1 -0.284 36.7 -89.9 -71.9 159.2 0.5 11.3 -7.3 70 178 B P - 0 0 110 0, 0.0 -16,-0.0 0, 0.0 -2,-0.0 -0.391 43.9-122.7 -68.9 143.0 2.8 9.2 -5.1 71 179 B L - 0 0 54 1,-0.1 -35,-0.1 -60,-0.1 -60,-0.0 -0.304 31.3 -91.0 -81.5 172.9 3.4 10.5 -1.5 72 180 B P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -37,-0.1 0.087 35.9-105.8 -70.7-174.6 6.8 11.3 0.0 73 181 B P - 0 0 99 0, 0.0 4,-0.2 0, 0.0 5,-0.1 0.690 45.8-121.4 -92.2 -23.0 9.0 8.9 2.0 74 182 B R > - 0 0 24 3,-0.1 3,-1.2 1,-0.1 2,-0.5 0.866 22.8-116.3 78.4 95.6 8.5 10.2 5.6 75 183 B P T 3 S- 0 0 58 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.473 91.8 -15.7 -66.0 114.4 11.8 11.2 7.2 76 184 B A T 3 S- 0 0 79 -2,-0.5 -2,-0.1 1,-0.2 5,-0.1 0.958 135.6 -45.1 56.1 50.8 12.4 8.9 10.2 77 185 B N S <> S+ 0 0 71 -3,-1.2 4,-0.6 -4,-0.2 6,-0.3 0.951 93.3 158.4 60.3 45.8 8.7 7.8 10.2 78 186 B L T 4 S+ 0 0 12 1,-0.2 5,-0.3 2,-0.2 -29,-0.1 0.985 79.1 17.4 -65.4 -78.1 7.5 11.4 9.8 79 187 B G T 4 S+ 0 0 0 1,-0.1 -1,-0.2 3,-0.1 -30,-0.2 0.500 125.0 71.2 -73.1 2.0 4.0 10.8 8.3 80 188 B E T 4 S- 0 0 59 1,-0.3 -63,-0.4 -5,-0.1 2,-0.2 0.904 110.6 -15.6 -81.2 -87.4 4.4 7.3 9.6 81 189 B R S < S- 0 0 145 -4,-0.6 2,-1.1 -5,-0.1 -1,-0.3 -0.677 88.3 -74.4-114.0 171.5 4.2 7.3 13.4 82 190 B Q 0 0 132 -2,-0.2 -4,-0.1 -3,-0.1 -3,-0.1 -0.477 360.0 360.0 -66.9 99.7 4.5 10.1 16.0 83 191 B A 0 0 124 -2,-1.1 -2,-0.1 -5,-0.3 -7,-0.1 0.234 360.0 360.0 73.3 360.0 8.3 10.6 15.9