==== 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 METAL BINDING PROTEIN 29-JUN-06 2DSF . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,N.SINGH,M.SINHA,S.SHARMA,A.BHUSHAN,T.P.SINGH . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 9.7 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 . 2 0.6 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 . 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 . 18 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 1 0 1 0 1 2 2 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 1 342 A Y 0 0 241 0, 0.0 26,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.9 39.6 11.6 30.4 2 343 A T + 0 0 84 2,-0.0 2,-0.5 266,-0.0 0, 0.0 -0.042 360.0 105.8-111.9 17.4 39.6 12.3 26.6 3 344 A R - 0 0 110 25,-0.0 2,-0.4 2,-0.0 25,-0.2 -0.905 60.1-157.9-107.3 123.7 38.8 8.6 26.8 4 345 A V E -a 28 0A 0 23,-2.6 25,-2.7 -2,-0.5 2,-0.7 -0.819 8.4-147.7-108.5 136.5 35.3 7.2 26.1 5 346 A V E -a 29 0A 24 -2,-0.4 44,-3.5 23,-0.2 45,-1.6 -0.890 17.9-157.9-103.7 112.8 33.7 3.9 27.2 6 347 A W E -ab 30 50A 2 23,-3.4 25,-2.7 -2,-0.7 2,-0.7 -0.628 12.4-132.6 -89.1 146.0 31.1 2.6 24.6 7 348 A a E -a 31 0A 2 43,-2.3 2,-0.4 -2,-0.3 45,-0.2 -0.882 19.8-161.2-104.3 112.0 28.4 0.1 25.6 8 349 A A E -a 32 0A 0 23,-2.7 25,-2.2 -2,-0.7 2,-0.8 -0.766 9.7-143.6 -92.1 130.3 28.2 -2.8 23.2 9 350 A V E -a 33 0A 9 -2,-0.4 4,-0.4 23,-0.2 169,-0.4 -0.851 65.0 -14.2 -98.2 107.4 25.0 -4.7 23.2 10 351 A G S > S- 0 0 0 23,-2.9 4,-1.2 -2,-0.8 3,-0.2 0.014 90.1 -68.3 88.9 163.1 25.7 -8.4 22.6 11 352 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.804 125.4 54.1 -57.8 -38.2 28.7 -10.4 21.4 12 353 A E H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.886 112.7 42.6 -68.5 -39.4 28.7 -9.2 17.8 13 354 A E H > S+ 0 0 35 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.712 108.0 61.6 -77.8 -21.8 28.8 -5.6 18.7 14 355 A Q H X S+ 0 0 57 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.835 106.9 47.0 -69.9 -30.5 31.4 -6.4 21.4 15 356 A K H X S+ 0 0 145 -4,-1.1 4,-1.1 2,-0.2 -2,-0.2 0.829 109.6 48.5 -81.7 -32.8 33.5 -7.5 18.6 16 357 A K H X S+ 0 0 12 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.763 114.2 52.1 -76.4 -20.1 33.0 -4.5 16.3 17 358 A b H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.925 104.8 49.7 -79.0 -49.1 33.8 -2.4 19.3 18 359 A Q H X S+ 0 0 104 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.820 111.4 53.4 -61.1 -26.7 37.1 -4.0 20.4 19 360 A Q H X S+ 0 0 105 -4,-1.1 4,-1.7 2,-0.2 3,-0.4 0.920 109.9 45.7 -70.9 -45.3 38.1 -3.6 16.8 20 361 A W H X S+ 0 0 1 -4,-1.3 4,-1.0 1,-0.2 -2,-0.2 0.889 106.9 61.1 -63.5 -38.6 37.3 0.1 16.9 21 362 A S H <>S+ 0 0 9 -4,-2.9 5,-1.7 1,-0.2 7,-0.4 0.820 104.3 48.2 -57.8 -37.6 39.1 0.3 20.2 22 363 A Q H ><5S+ 0 0 146 -4,-1.2 3,-2.5 -3,-0.4 -1,-0.2 0.962 106.8 53.5 -68.4 -54.5 42.4 -0.8 18.7 23 364 A Q H 3<5S+ 0 0 59 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.692 107.3 56.6 -54.7 -20.4 42.2 1.6 15.7 24 365 A S T ><5S- 0 0 9 -4,-1.0 3,-1.3 -5,-0.2 -1,-0.3 0.375 107.4-120.4 -95.6 4.1 41.7 4.4 18.3 25 366 A G T < 5S- 0 0 64 -3,-2.5 -3,-0.2 1,-0.3 -2,-0.1 0.807 76.4 -64.6 60.4 20.5 44.9 3.8 20.4 26 367 A Q T 3 S- 0 0 32 -27,-0.1 4,-1.8 1,-0.1 3,-0.2 -0.986 79.8-112.9-150.1 158.7 20.7 -6.1 26.4 36 377 A T H > S+ 0 0 11 140,-0.5 4,-2.1 -2,-0.3 5,-0.1 0.869 113.5 57.2 -60.8 -38.1 20.1 -2.5 25.6 37 378 A D H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 105.5 48.9 -60.9 -43.6 18.5 -1.9 29.1 38 379 A D H > S+ 0 0 79 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.920 107.9 56.3 -62.6 -39.9 21.6 -3.1 30.9 39 380 A a H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.933 106.2 49.9 -57.0 -43.1 23.6 -0.9 28.7 40 381 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.927 110.8 50.6 -60.0 -45.6 21.5 2.1 29.9 41 382 A V H X S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.954 106.0 53.8 -56.9 -52.6 22.1 1.0 33.5 42 383 A L H X>S+ 0 0 32 -4,-3.1 5,-2.1 1,-0.2 4,-1.1 0.901 109.8 49.1 -49.7 -43.8 25.9 0.7 33.1 43 384 A V H <5S+ 0 0 2 -4,-2.0 -1,-0.2 4,-0.2 -2,-0.2 0.871 107.4 54.1 -64.1 -39.4 25.8 4.4 31.8 44 385 A L H <5S+ 0 0 49 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.938 109.1 48.9 -57.4 -48.9 23.7 5.6 34.7 45 386 A K H <5S- 0 0 118 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.742 116.1-119.3 -61.8 -28.6 26.3 4.1 37.1 46 387 A G T <5S+ 0 0 42 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.1 0.517 82.2 121.4 96.4 7.3 29.0 5.8 35.1 47 388 A E S > - 0 0 5 -2,-0.4 3,-1.5 200,-0.3 4,-1.4 -0.502 50.1-106.2 -72.0 145.8 16.6 3.8 18.6 55 396 A G H 3> S+ 0 0 0 197,-0.7 4,-1.7 1,-0.3 -1,-0.1 0.721 116.1 69.3 -50.4 -23.0 14.2 6.6 19.8 56 397 A G H 3> S+ 0 0 1 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.894 103.3 40.0 -64.8 -40.4 12.3 4.0 21.8 57 398 A Y H <> S+ 0 0 15 -3,-1.5 4,-3.2 2,-0.2 -1,-0.2 0.799 107.2 64.4 -79.2 -28.1 15.1 3.4 24.3 58 399 A I H X S+ 0 0 1 -4,-1.4 4,-3.7 2,-0.2 5,-0.2 0.918 98.9 55.2 -58.2 -45.3 16.0 7.2 24.4 59 400 A Y H X S+ 0 0 11 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.953 111.0 43.7 -51.2 -55.2 12.6 7.8 25.9 60 401 A T H >X S+ 0 0 12 -4,-1.0 3,-1.0 1,-0.2 4,-0.9 0.963 115.6 49.2 -52.5 -58.7 13.4 5.3 28.7 61 402 A A H ><>S+ 0 0 0 -4,-3.2 5,-1.7 1,-0.3 3,-1.3 0.879 105.0 56.7 -49.5 -51.0 16.9 6.7 29.1 62 403 A G H ><5S+ 0 0 11 -4,-3.7 3,-1.5 1,-0.3 -1,-0.3 0.780 99.5 59.7 -57.0 -30.0 15.7 10.3 29.3 63 404 A K H <<5S+ 0 0 45 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.814 107.4 47.5 -69.0 -27.1 13.5 9.5 32.2 64 405 A c T <<5S- 0 0 18 -3,-1.3 -1,-0.3 -4,-0.9 -2,-0.2 0.096 128.9 -98.0-100.6 22.8 16.6 8.4 34.0 65 406 A G T < 5S+ 0 0 39 -3,-1.5 195,-0.7 1,-0.2 -3,-0.2 0.418 74.9 135.7 84.6 0.5 18.5 11.5 33.0 66 407 A L E < -D 259 0A 3 -5,-1.7 193,-0.3 193,-0.2 -1,-0.2 -0.473 41.3-140.8 -80.3 158.5 20.6 10.6 30.0 67 408 A V E -D 258 0A 38 191,-2.9 191,-1.7 -2,-0.1 248,-0.1 -0.923 14.0-105.1-129.9 147.5 20.7 13.1 27.1 68 409 A P E +D 257 0A 10 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.323 41.9 164.5 -54.2 140.1 20.7 13.3 23.3 69 410 A V E - 0 0 7 187,-2.0 241,-0.5 1,-0.6 2,-0.3 0.698 56.6 -3.3-122.4 -58.7 24.0 14.1 22.0 70 411 A L E -DE 256 309A 0 186,-0.8 186,-1.9 239,-0.1 -1,-0.6 -0.947 65.1-139.7-138.7 148.4 24.6 13.5 18.4 71 412 A A E -DE 255 308A 0 237,-2.1 237,-3.9 -2,-0.3 184,-0.2 -0.847 19.5-110.6-119.9 152.3 22.2 11.9 15.8 72 413 A E E - E 0 307A 10 182,-2.2 2,-0.4 -2,-0.3 235,-0.2 -0.580 37.1-169.3 -74.9 143.3 22.6 9.5 12.9 73 414 A N E - E 0 306A 3 233,-1.9 232,-3.4 -2,-0.2 233,-1.7 -0.997 5.1-168.1-138.2 138.2 22.2 11.2 9.5 74 415 A R - 0 0 49 -2,-0.4 16,-0.2 230,-0.3 230,-0.1 -0.776 41.4 -57.4-120.3 167.3 21.8 9.6 6.1 75 416 A K - 0 0 119 228,-0.3 2,-0.3 -2,-0.3 -1,-0.1 -0.029 53.1-167.8 -48.6 136.8 21.9 11.0 2.5 76 417 A S - 0 0 27 3,-0.1 -1,-0.1 1,-0.1 3,-0.0 -0.933 33.1-161.8-133.1 154.8 19.5 13.8 1.4 77 418 A S S S+ 0 0 122 -2,-0.3 2,-0.3 2,-0.0 3,-0.3 0.494 93.5 54.2-102.7 -12.5 18.3 15.5 -1.8 78 419 A K S S+ 0 0 121 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.836 108.9 32.0-114.4 153.0 16.9 18.5 0.3 79 420 A H S S+ 0 0 48 -2,-0.3 -1,-0.2 1,-0.1 -3,-0.1 0.825 78.7 140.7 64.8 33.9 19.5 20.1 2.6 80 421 A S + 0 0 84 -3,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.756 58.1 60.2 -78.7 -33.0 22.3 19.3 0.2 81 422 A S S S+ 0 0 120 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.898 92.9 83.5 -66.5 -36.2 24.4 22.5 0.5 82 423 A L S S- 0 0 76 1,-0.1 5,-0.0 2,-0.1 0, 0.0 -0.385 87.2-113.5 -72.2 140.6 24.9 21.9 4.2 83 424 A D >> - 0 0 122 -2,-0.1 4,-1.8 1,-0.1 3,-0.6 -0.273 30.9-111.4 -65.6 160.7 27.6 19.6 5.4 84 425 A d T 34 S+ 0 0 12 1,-0.2 3,-0.2 2,-0.2 225,-0.2 0.951 111.6 57.5 -59.0 -56.0 26.4 16.4 7.1 85 426 A V T 34 S+ 0 0 35 1,-0.2 224,-3.6 223,-0.2 -1,-0.2 0.655 118.6 32.0 -51.1 -23.3 27.5 17.2 10.7 86 427 A L T <4 S+ 0 0 116 -3,-0.6 -1,-0.2 222,-0.2 -2,-0.2 0.639 93.4 113.8-107.6 -25.2 25.4 20.4 10.7 87 428 A R S < S- 0 0 15 -4,-1.8 222,-0.1 -3,-0.2 -7,-0.0 -0.124 75.5-105.0 -53.4 140.1 22.5 19.2 8.5 88 429 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.287 37.5-113.4 -59.9 151.9 19.1 18.9 10.0 89 430 A T - 0 0 55 221,-0.2 -16,-0.1 1,-0.1 -17,-0.0 -0.771 20.9-157.8 -92.5 139.5 18.0 15.2 10.6 90 431 A E - 0 0 84 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.745 26.7-135.7 -89.6 -24.0 15.1 14.1 8.4 91 432 A G - 0 0 8 163,-0.1 2,-0.3 159,-0.1 -1,-0.2 -0.334 20.1 -95.5 94.4 178.1 13.8 11.1 10.4 92 433 A Y E -F 251 0B 7 159,-1.9 159,-3.8 -2,-0.1 2,-0.5 -0.975 25.3-108.4-139.8 155.8 12.7 7.7 9.0 93 434 A L E -F 250 0B 22 -2,-0.3 111,-1.6 157,-0.3 2,-0.8 -0.687 18.4-148.9 -88.4 123.0 9.5 6.0 7.9 94 435 A A E +FG 249 203B 1 155,-3.3 154,-3.1 -2,-0.5 155,-0.8 -0.782 31.7 176.0 -84.8 113.1 8.1 3.2 10.0 95 436 A V E - G 0 202B 2 107,-2.6 107,-1.2 -2,-0.8 2,-0.4 -0.720 29.9-135.1-115.8 170.9 6.4 0.9 7.4 96 437 A A E - G 0 201B 1 135,-0.3 135,-2.2 -2,-0.2 2,-0.3 -0.999 28.3-157.1-124.5 122.8 4.6 -2.4 7.7 97 438 A V E +HG 230 200B 0 103,-2.5 103,-1.5 -2,-0.4 2,-0.3 -0.802 16.0 172.4-112.1 149.3 5.7 -5.0 5.0 98 439 A V E -H 229 0B 0 131,-2.2 131,-1.9 -2,-0.3 2,-0.5 -0.889 39.5 -94.7-141.7 168.2 4.1 -8.0 3.4 99 440 A K E > -H 228 0B 28 99,-0.5 3,-1.7 -2,-0.3 129,-0.3 -0.773 25.3-142.2 -88.3 130.0 4.8 -10.5 0.6 100 441 A K T 3 S+ 0 0 75 127,-3.1 -1,-0.2 -2,-0.5 128,-0.2 0.933 102.3 64.4 -54.6 -46.2 3.0 -9.5 -2.6 101 442 A A T 3 S+ 0 0 77 126,-0.5 2,-1.3 1,-0.2 -1,-0.3 0.708 87.8 76.7 -48.2 -24.5 2.3 -13.1 -3.3 102 443 A N S X S- 0 0 63 -3,-1.7 3,-1.0 96,-0.1 -1,-0.2 -0.537 79.2-168.9 -90.9 67.9 0.2 -13.0 -0.1 103 444 A E T 3 + 0 0 163 -2,-1.3 3,-0.1 1,-0.2 -2,-0.1 -0.059 59.2 26.7 -62.8 156.3 -2.9 -11.3 -1.6 104 445 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.2 0, 0.0 2,-0.2 0.006 80.9 132.9 82.4 -28.2 -5.8 -9.9 0.3 105 446 A L < + 0 0 8 -3,-1.0 2,-0.3 -6,-0.1 -1,-0.3 -0.376 31.8 163.0 -56.8 121.0 -3.6 -9.3 3.4 106 447 A T > - 0 0 33 3,-0.3 3,-1.5 -2,-0.2 125,-0.1 -0.870 58.1 -96.9-135.7 168.4 -4.4 -5.7 4.5 107 448 A W T 3 S+ 0 0 8 125,-0.3 3,-0.4 -2,-0.3 4,-0.1 0.782 127.5 53.6 -53.2 -26.2 -3.9 -3.6 7.6 108 449 A N T 3 S+ 0 0 120 1,-0.2 2,-0.5 2,-0.1 3,-0.3 0.669 104.0 53.8 -85.8 -17.5 -7.5 -4.6 8.3 109 450 A S S < S+ 0 0 41 -3,-1.5 -3,-0.3 1,-0.2 -1,-0.2 -0.616 77.9 101.0-115.4 67.6 -6.9 -8.3 8.1 110 451 A L > + 0 0 1 -2,-0.5 3,-2.4 -3,-0.4 -1,-0.2 0.542 40.0 112.2-121.2 -20.7 -4.1 -8.6 10.6 111 452 A K T 3 S+ 0 0 112 -3,-0.3 35,-0.2 1,-0.3 34,-0.1 -0.432 96.3 7.0 -58.7 124.2 -5.8 -10.0 13.7 112 453 A D T 3 S+ 0 0 85 33,-2.9 -1,-0.3 1,-0.2 34,-0.2 0.432 100.2 119.8 82.6 1.3 -4.3 -13.5 14.0 113 454 A K S < S- 0 0 64 -3,-2.4 35,-0.8 32,-0.2 2,-0.5 -0.175 72.5 -90.9 -81.7-173.9 -1.7 -13.3 11.2 114 455 A K E -i 148 0B 70 33,-0.1 85,-2.6 32,-0.1 84,-1.8 -0.900 41.5-153.1-109.7 129.9 1.9 -13.8 12.1 115 456 A S E -ij 149 199B 0 33,-2.0 35,-1.5 -2,-0.5 2,-0.5 -0.771 14.7-161.6-111.3 149.3 4.2 -10.9 13.0 116 457 A e E -ij 150 200B 0 83,-1.7 85,-2.7 -2,-0.3 2,-0.3 -0.982 19.3-176.1-121.9 114.1 7.9 -10.0 12.9 117 458 A H E - 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