==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 20-NOV-11 3UQF . COMPND 2 MOLECULE: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR E.A.MERRITT,E.T.LARSON . 513 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 0 4 0 0 4 2 0 1 1 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 2 0 3 3 0 1 2 1 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 2 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 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 1 258 A D > 0 0 125 0, 0.0 3,-1.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.4 -1.3 -27.4 26.7 2 259 A A T 3 + 0 0 110 1,-0.3 0, 0.0 68,-0.0 0, 0.0 0.528 360.0 69.8 -72.9 -7.8 -4.8 -26.3 25.8 3 260 A W T 3 S+ 0 0 55 67,-0.1 68,-2.1 2,-0.0 -1,-0.3 0.670 77.5 105.9 -76.7 -19.2 -5.0 -28.5 22.7 4 261 A E B < -a 71 0A 70 -3,-1.6 68,-0.2 66,-0.2 0, 0.0 -0.348 48.2-178.1 -68.4 140.3 -5.2 -31.6 24.9 5 262 A I - 0 0 22 66,-1.6 2,-0.1 -2,-0.1 -2,-0.0 -0.930 32.0 -95.6-133.7 157.9 -8.5 -33.4 25.2 6 263 A P > - 0 0 66 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.446 27.8-126.8 -74.4 150.4 -9.6 -36.5 27.2 7 264 A R G > S+ 0 0 103 1,-0.2 3,-1.3 2,-0.2 65,-0.0 0.802 107.7 63.5 -66.4 -29.5 -9.6 -39.9 25.5 8 265 A E G 3 S+ 0 0 157 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.717 90.0 68.7 -68.2 -19.8 -13.2 -40.4 26.5 9 266 A S G < S+ 0 0 18 -3,-1.0 21,-2.2 21,-0.1 22,-0.5 0.551 88.7 76.6 -79.0 -7.5 -14.3 -37.4 24.4 10 267 A L E < -B 29 0A 14 -3,-1.3 2,-0.5 19,-0.2 19,-0.2 -0.896 56.2-171.0-108.5 132.4 -13.6 -39.1 21.0 11 268 A R E -B 28 0A 184 17,-2.2 17,-1.8 -2,-0.4 2,-0.8 -0.991 14.4-149.2-117.9 124.2 -15.7 -41.7 19.3 12 269 A L E +B 27 0A 60 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.827 27.7 163.6 -96.9 109.5 -14.2 -43.4 16.3 13 270 A E E + 0 0 86 13,-1.9 2,-0.4 -2,-0.8 14,-0.2 0.953 55.6 19.4 -95.7 -62.6 -17.0 -44.4 13.9 14 271 A V E S-B 26 0A 74 12,-1.5 12,-2.9 0, 0.0 -1,-0.3 -0.965 70.4-130.2-120.7 127.8 -15.9 -45.2 10.3 15 272 A K E +B 25 0A 95 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.579 24.2 179.3 -73.9 134.4 -12.4 -46.1 9.3 16 273 A L E - 0 0 95 8,-3.4 2,-0.3 1,-0.3 9,-0.2 0.599 56.8 -14.9-114.2 -19.8 -11.2 -44.0 6.3 17 274 A G E -B 24 0A 32 7,-1.1 7,-1.9 2,-0.0 -1,-0.3 -0.885 48.7-142.5 178.4 151.3 -7.6 -45.3 5.6 18 275 A Q E +B 23 0A 116 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.717 28.4 145.5-115.2 167.6 -4.6 -47.2 6.9 19 276 A G - 0 0 42 3,-1.3 -2,-0.0 -2,-0.2 5,-0.0 -0.970 60.5 -68.7-175.2-171.4 -0.8 -46.6 6.5 20 277 A C S S+ 0 0 83 -2,-0.3 21,-0.2 1,-0.1 -1,-0.1 0.895 127.6 46.3 -65.4 -43.0 2.7 -46.9 7.9 21 278 A F S S- 0 0 22 1,-0.1 20,-2.3 19,-0.1 24,-0.2 0.988 121.2 -96.1 -62.3 -62.9 1.9 -44.2 10.5 22 279 A G E - C 0 40A 6 18,-0.2 -3,-1.3 22,-0.1 2,-0.3 -0.665 55.6 -36.6-179.6-119.5 -1.4 -45.6 11.7 23 280 A E E -BC 18 39A 47 16,-1.1 16,-2.2 -5,-0.2 2,-0.4 -0.837 30.2-143.4-134.2 163.2 -5.1 -45.0 10.8 24 281 A V E -BC 17 38A 42 -7,-1.9 -8,-3.4 -2,-0.3 -7,-1.1 -0.994 24.8-179.1-131.8 131.0 -7.6 -42.2 9.9 25 282 A W E -BC 15 37A 54 12,-2.9 12,-3.0 -2,-0.4 2,-0.4 -0.929 30.3-128.3-129.8 145.5 -11.2 -42.2 11.1 26 283 A M E +BC 14 36A 29 -12,-2.9 -13,-1.9 -2,-0.3 -12,-1.5 -0.797 51.9 149.6 -81.2 137.0 -14.4 -40.2 10.9 27 284 A G E -BC 12 35A 0 8,-2.9 8,-2.5 -2,-0.4 2,-0.3 -0.832 44.1-101.5-151.7-174.1 -15.6 -39.6 14.4 28 285 A T E -BC 11 34A 24 -17,-1.8 -17,-2.2 -2,-0.2 2,-0.4 -0.903 23.3-154.9-119.2 151.8 -17.4 -37.4 16.9 29 286 A W E >> S-BC 10 33A 46 4,-1.3 4,-2.2 -2,-0.3 3,-1.6 -0.999 78.9 -7.0-130.8 128.4 -15.9 -35.1 19.5 30 287 A N T 34 S- 0 0 96 -21,-2.2 -20,-0.1 -2,-0.4 -1,-0.1 0.676 117.1 -78.5 57.5 20.1 -17.7 -34.1 22.7 31 288 A G T 34 S+ 0 0 68 -22,-0.5 -1,-0.3 2,-0.2 3,-0.1 0.467 129.2 60.8 73.2 4.1 -20.7 -35.9 21.3 32 289 A T T <4 S+ 0 0 119 -3,-1.6 2,-0.6 1,-0.2 -2,-0.2 0.644 81.7 75.3-129.1 -32.6 -21.6 -32.9 19.0 33 290 A T E < -C 29 0A 50 -4,-2.2 -4,-1.3 1,-0.0 -2,-0.2 -0.836 66.9-136.3-111.7 113.6 -18.8 -32.2 16.6 34 291 A R E +C 28 0A 110 -2,-0.6 49,-0.4 -6,-0.2 2,-0.3 -0.403 40.3 166.4 -58.6 133.9 -18.1 -34.2 13.5 35 292 A V E -C 27 0A 0 -8,-2.5 -8,-2.9 47,-0.2 2,-0.4 -0.921 38.5-123.3-146.6 165.1 -14.3 -34.7 13.2 36 293 A A E -CD 26 81A 13 45,-2.4 45,-2.5 -2,-0.3 2,-0.4 -0.951 28.9-160.6-109.9 140.5 -11.5 -36.6 11.5 37 294 A I E -CD 25 80A 0 -12,-3.0 -12,-2.9 -2,-0.4 2,-0.4 -0.983 7.9-164.0-129.2 125.2 -9.0 -38.5 13.7 38 295 A K E -CD 24 79A 75 41,-2.9 41,-3.0 -2,-0.4 2,-0.4 -0.913 11.5-162.7-106.2 132.6 -5.5 -39.8 12.9 39 296 A T E -CD 23 78A 16 -16,-2.2 -16,-1.1 -2,-0.4 2,-0.5 -0.880 12.4-140.6-111.6 146.6 -3.9 -42.3 15.2 40 297 A L E -C 22 0A 4 37,-1.5 37,-0.3 -2,-0.4 -18,-0.2 -0.905 20.7-129.6 -98.5 134.0 -0.2 -43.3 15.5 41 298 A K >> - 0 0 134 -20,-2.3 3,-1.9 -2,-0.5 4,-1.1 -0.782 23.9-136.5 -82.6 113.5 0.4 -47.1 16.0 42 299 A P T 34 S+ 0 0 62 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.806 96.8 37.1 -45.1 -54.3 2.8 -47.0 19.0 43 300 A G T 34 S+ 0 0 84 1,-0.2 3,-0.1 -3,-0.1 -2,-0.0 0.538 108.5 69.8 -78.1 -7.7 5.4 -49.6 17.9 44 301 A T T <4 S+ 0 0 53 -3,-1.9 2,-0.3 -23,-0.2 -1,-0.2 0.948 104.1 6.3 -74.9 -52.5 5.3 -48.5 14.3 45 302 A M S < S- 0 0 77 -4,-1.1 -1,-0.2 -24,-0.2 5,-0.1 -0.899 85.0 -75.2-142.1 159.2 6.9 -45.0 14.3 46 303 A S > - 0 0 50 -2,-0.3 4,-1.2 1,-0.1 -3,-0.1 -0.312 30.0-157.7 -57.3 125.2 8.7 -42.4 16.3 47 304 A P H > S+ 0 0 57 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.852 95.0 51.8 -73.6 -36.0 6.4 -40.5 18.7 48 305 A E H 4 S+ 0 0 71 1,-0.2 4,-0.5 2,-0.2 -2,-0.1 0.868 110.7 49.6 -64.2 -38.3 8.7 -37.5 19.0 49 306 A A H 4 S+ 0 0 53 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.814 108.2 53.4 -68.9 -32.4 8.8 -37.3 15.2 50 307 A F H >X S+ 0 0 32 -4,-1.2 4,-0.7 1,-0.2 3,-0.6 0.828 101.7 56.5 -76.2 -35.6 5.0 -37.5 14.8 51 308 A L H 3X S+ 0 0 48 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.591 92.9 70.7 -73.3 -15.5 4.2 -34.6 17.2 52 309 A Q H 3> S+ 0 0 130 -4,-0.5 4,-1.2 -3,-0.4 -1,-0.2 0.816 96.9 51.1 -69.3 -32.7 6.3 -32.1 15.1 53 310 A E H <> S+ 0 0 24 -3,-0.6 4,-0.8 -4,-0.5 -1,-0.2 0.816 110.5 49.6 -70.4 -32.4 3.7 -32.3 12.3 54 311 A A H X S+ 0 0 4 -4,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.824 105.4 57.0 -72.2 -37.5 1.0 -31.5 14.9 55 312 A Q H X S+ 0 0 104 -4,-1.7 4,-0.9 1,-0.2 -2,-0.2 0.841 104.2 52.8 -57.1 -39.9 3.2 -28.5 16.2 56 313 A V H X S+ 0 0 25 -4,-1.2 4,-1.8 1,-0.2 3,-0.2 0.823 107.4 52.4 -66.5 -31.8 3.2 -27.0 12.7 57 314 A M H < S+ 0 0 33 -4,-0.8 11,-0.5 1,-0.2 -2,-0.2 0.719 101.3 60.8 -78.6 -20.8 -0.7 -27.3 12.7 58 315 A K H < S+ 0 0 50 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.798 112.1 38.2 -70.5 -29.7 -0.9 -25.4 16.0 59 316 A K H < S+ 0 0 152 -4,-0.9 2,-0.3 -3,-0.2 -2,-0.2 0.885 103.2 72.0 -89.9 -45.1 0.8 -22.4 14.4 60 317 A L < + 0 0 8 -4,-1.8 2,-0.3 2,-0.0 60,-0.0 -0.572 55.9 170.5 -78.8 133.5 -0.7 -22.2 10.9 61 318 A R + 0 0 141 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.936 13.0 134.7-147.4 118.3 -4.4 -21.2 10.7 62 319 A H > - 0 0 35 3,-0.4 3,-2.0 -2,-0.3 54,-0.1 -0.969 59.9-113.6-164.6 148.6 -6.2 -20.4 7.5 63 320 A E T 3 S+ 0 0 135 -2,-0.3 4,-0.1 1,-0.3 53,-0.1 0.679 117.2 48.0 -64.1 -16.1 -9.6 -21.2 5.9 64 321 A K T 3 S+ 0 0 26 80,-0.1 81,-2.9 2,-0.1 2,-0.4 0.165 96.5 80.6-113.0 13.0 -7.8 -23.3 3.2 65 322 A L B < S-f 145 0B 6 -3,-2.0 -3,-0.4 79,-0.2 81,-0.2 -0.985 95.5-103.9-109.7 136.3 -5.5 -25.3 5.4 66 323 A V - 0 0 14 79,-2.8 2,-0.4 -2,-0.4 -2,-0.1 -0.383 47.0-125.2 -56.7 126.6 -7.0 -28.3 7.1 67 324 A Q - 0 0 22 -4,-0.1 15,-1.9 -2,-0.1 2,-0.3 -0.632 7.6-132.5 -89.5 128.5 -7.6 -27.1 10.7 68 325 A L E + E 0 81A 2 -11,-0.5 13,-0.3 -2,-0.4 3,-0.1 -0.593 26.0 174.6 -69.5 133.8 -6.3 -28.8 13.9 69 326 A Y E - 0 0 75 11,-3.4 2,-0.3 1,-0.4 12,-0.2 0.765 56.7 -21.9-106.2 -44.3 -9.0 -29.2 16.5 70 327 A A E - E 0 80A 0 10,-1.8 10,-3.0 -65,-0.0 -1,-0.4 -0.980 51.3-145.7-164.9 165.2 -7.4 -31.2 19.3 71 328 A V E -aE 4 79A 3 -68,-2.1 -66,-1.6 -2,-0.3 2,-0.4 -0.985 15.4-157.9-141.3 148.5 -4.7 -33.7 20.3 72 329 A V E - E 0 78A 4 6,-2.6 6,-1.7 -2,-0.3 -68,-0.1 -0.914 23.6-174.5-116.7 101.8 -4.0 -36.6 22.7 73 330 A S + 0 0 36 -2,-0.4 2,-0.4 4,-0.2 4,-0.1 0.134 53.2 84.6 -93.6 21.0 -0.1 -36.3 22.8 74 331 A E S S- 0 0 133 2,-0.3 4,-0.1 4,-0.1 -2,-0.0 -0.963 94.2 -61.7-117.6 139.0 0.6 -39.5 24.8 75 332 A E S S+ 0 0 88 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.382 127.4 50.4 -62.2 133.6 0.9 -42.9 23.2 76 333 A P S S- 0 0 56 0, 0.0 -2,-0.3 0, 0.0 2,-0.2 0.393 98.8-155.3 -72.1 128.7 -1.4 -44.1 21.8 77 334 A I - 0 0 1 -37,-0.3 -37,-1.5 -4,-0.1 2,-0.4 -0.471 13.7-170.5 -79.0 142.7 -1.5 -40.7 20.1 78 335 A Y E -DE 39 72A 60 -6,-1.7 -6,-2.6 -39,-0.2 2,-0.4 -1.000 5.1-164.0-130.5 136.5 -4.6 -39.2 18.5 79 336 A I E -DE 38 71A 12 -41,-3.0 -41,-2.9 -2,-0.4 2,-0.5 -0.985 8.5-159.0-121.7 129.0 -4.8 -36.1 16.3 80 337 A V E +DE 37 70A 0 -10,-3.0 -11,-3.4 -2,-0.4 -10,-1.8 -0.933 19.0 160.5-116.1 125.7 -8.1 -34.4 15.6 81 338 A T E -DE 36 68A 23 -45,-2.5 -45,-2.4 -2,-0.5 -13,-0.2 -0.794 48.7 -69.1-130.2 171.7 -8.8 -32.1 12.7 82 339 A E - 0 0 24 -15,-1.9 2,-0.5 -2,-0.3 -47,-0.2 -0.253 56.6-110.0 -56.8 152.5 -11.9 -30.8 10.8 83 340 A Y - 0 0 64 -49,-0.4 2,-0.8 -48,-0.1 -1,-0.1 -0.814 22.5-156.5 -92.5 125.9 -13.7 -33.5 8.8 84 341 A M > - 0 0 16 -2,-0.5 3,-1.8 1,-0.1 53,-0.2 -0.882 7.7-157.0-104.2 103.9 -13.4 -33.2 5.1 85 342 A S T 3 S+ 0 0 35 -2,-0.8 53,-0.2 1,-0.3 -1,-0.1 0.587 83.4 48.6 -62.5 -17.3 -16.5 -35.0 3.8 86 343 A K T 3 S- 0 0 89 51,-2.7 -1,-0.3 1,-0.3 52,-0.2 0.320 95.6-141.2-110.6 7.7 -15.2 -35.8 0.2 87 344 A G < - 0 0 29 -3,-1.8 50,-2.7 50,-0.4 -1,-0.3 -0.238 55.5 -0.9 70.8-156.1 -11.7 -37.3 1.1 88 345 A S B > -G 136 0B 20 48,-0.2 4,-2.3 1,-0.1 48,-0.3 -0.359 62.2-127.8 -73.1 149.6 -8.6 -36.7 -0.9 89 346 A L H > S+ 0 0 0 46,-2.6 4,-3.2 43,-0.9 5,-0.2 0.862 109.9 58.9 -62.1 -37.8 -8.8 -34.6 -4.0 90 347 A L H > S+ 0 0 12 42,-0.9 4,-2.0 45,-0.3 -1,-0.2 0.923 109.2 42.6 -55.3 -50.3 -7.0 -37.4 -6.0 91 348 A D H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 7,-0.2 0.885 113.8 53.0 -62.1 -44.4 -9.9 -39.8 -5.1 92 349 A F H < S+ 0 0 20 -4,-2.3 6,-1.0 1,-0.2 5,-0.4 0.955 111.1 45.4 -57.9 -51.8 -12.5 -37.2 -5.8 93 350 A L H < S+ 0 0 2 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 118.3 42.6 -59.4 -43.1 -11.1 -36.4 -9.3 94 351 A K H < S+ 0 0 26 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.775 108.3 74.6 -74.0 -30.7 -10.7 -40.1 -10.2 95 352 A G S X S- 0 0 30 -4,-2.4 4,-0.5 -5,-0.2 3,-0.5 0.263 107.7 -65.8 -73.2-160.2 -14.1 -41.1 -8.7 96 353 A E T 4 S+ 0 0 74 1,-0.2 3,-0.2 2,-0.2 4,-0.1 0.677 129.1 55.0 -67.7 -23.1 -17.8 -40.7 -9.7 97 354 A M T >> S+ 0 0 79 -5,-0.4 3,-2.6 1,-0.2 4,-1.0 0.846 90.2 76.2 -74.3 -38.0 -17.7 -36.9 -9.3 98 355 A G T 34 S+ 0 0 2 -6,-1.0 3,-0.5 -3,-0.5 -1,-0.2 0.791 85.0 62.4 -43.5 -39.2 -14.7 -36.5 -11.7 99 356 A K T 3< S+ 0 0 123 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.679 106.6 43.6 -69.7 -17.9 -16.8 -37.0 -14.8 100 357 A Y T <4 S+ 0 0 151 -3,-2.6 -1,-0.2 -4,-0.1 -2,-0.2 0.608 86.5 107.4-101.1 -16.0 -19.0 -33.9 -14.1 101 358 A L < - 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