==== 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 30-APR-06 2DOJ . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N.SINGH,R.JAIN,S.SHARMA,T.P.SINGH . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 10.3 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 . 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 . 15 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 23.8 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 0 0 1 0 0 1 2 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 2 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 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 0 242 0, 0.0 2,-0.9 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -98.6 43.2 11.5 28.9 2 343 A T + 0 0 40 2,-0.0 2,-0.5 266,-0.0 0, 0.0 -0.768 360.0 161.6-102.5 91.0 39.9 11.1 27.0 3 344 A R - 0 0 134 -2,-0.9 2,-0.4 25,-0.0 25,-0.2 -0.947 20.1-158.4-118.9 128.9 38.8 7.4 26.9 4 345 A V E -a 28 0A 1 23,-2.3 25,-2.5 -2,-0.5 2,-0.7 -0.839 8.2-146.4-109.6 132.6 35.3 6.2 26.2 5 346 A V E -a 29 0A 25 -2,-0.4 44,-3.5 23,-0.2 45,-1.5 -0.863 17.6-156.6 -98.6 113.1 33.7 2.8 27.2 6 347 A W E -ab 30 50A 2 23,-3.2 25,-2.8 -2,-0.7 2,-0.6 -0.599 9.6-135.4 -87.2 144.4 31.2 1.5 24.6 7 348 A a E -a 31 0A 0 43,-2.5 2,-0.4 -2,-0.2 25,-0.2 -0.894 18.9-163.2-104.0 118.9 28.5 -1.0 25.6 8 349 A A E -a 32 0A 0 23,-2.9 25,-2.4 -2,-0.6 2,-0.8 -0.801 13.5-139.9 -99.6 139.2 28.0 -3.9 23.2 9 350 A V E -a 33 0A 11 -2,-0.4 169,-0.5 23,-0.2 4,-0.5 -0.855 68.1 -18.1-101.2 101.2 24.9 -6.1 23.2 10 351 A G S > S- 0 0 4 23,-2.5 4,-1.9 -2,-0.8 23,-0.1 -0.100 90.5 -64.6 94.1 171.9 25.8 -9.7 22.7 11 352 A P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.792 126.5 53.7 -67.7 -35.5 28.9 -11.6 21.4 12 353 A E H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.942 112.4 43.1 -69.4 -42.9 28.8 -10.3 17.8 13 354 A E H > S+ 0 0 33 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.888 111.4 58.0 -64.5 -35.3 28.7 -6.7 18.8 14 355 A Q H X S+ 0 0 67 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.948 105.9 48.2 -57.8 -47.5 31.4 -7.6 21.3 15 356 A K H X S+ 0 0 136 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.903 112.3 47.7 -60.7 -44.2 33.6 -8.8 18.6 16 357 A K H X S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.931 111.5 51.8 -63.8 -39.4 33.1 -5.7 16.4 17 358 A b H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.900 106.3 53.6 -63.8 -39.0 33.7 -3.5 19.4 18 359 A Q H X S+ 0 0 104 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.890 108.4 50.3 -63.6 -40.6 37.0 -5.3 20.2 19 360 A Q H X S+ 0 0 91 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.950 111.7 46.5 -58.9 -51.6 38.2 -4.7 16.7 20 361 A W H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.876 111.7 53.8 -61.8 -36.3 37.3 -0.9 16.9 21 362 A S H ><>S+ 0 0 13 -4,-2.8 5,-2.0 -5,-0.2 3,-0.6 0.935 107.8 48.5 -62.3 -49.3 39.0 -0.9 20.3 22 363 A Q H ><5S+ 0 0 155 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.961 113.4 47.3 -53.5 -54.3 42.3 -2.4 18.9 23 364 A Q H 3<5S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.564 106.9 56.3 -66.0 -15.6 42.4 0.1 16.0 24 365 A S T <<5S- 0 0 15 -4,-0.9 3,-0.5 -3,-0.6 -1,-0.3 0.438 111.0-116.0 -97.0 0.5 41.7 3.2 18.1 25 366 A G T < 5S- 0 0 61 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.840 73.4 -57.7 67.0 33.3 44.7 2.5 20.4 26 367 A Q S S- 0 0 33 1,-0.1 4,-1.8 -27,-0.1 3,-0.1 -0.931 76.3-113.0-141.1 167.4 20.6 -7.1 26.5 36 377 A T H > S+ 0 0 10 140,-0.4 4,-2.2 -2,-0.3 5,-0.2 0.883 116.5 56.6 -65.4 -44.2 20.1 -3.4 25.8 37 378 A D H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 107.5 50.0 -52.7 -39.4 18.4 -2.9 29.2 38 379 A D H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.892 107.9 52.2 -70.8 -39.9 21.5 -4.4 30.8 39 380 A a H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.870 106.6 54.5 -61.3 -37.1 23.8 -2.0 28.8 40 381 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.924 107.5 50.0 -62.4 -44.8 21.6 0.9 30.0 41 382 A V H X S+ 0 0 41 -4,-1.9 4,-3.0 2,-0.2 6,-0.2 0.926 107.0 54.2 -60.2 -44.9 22.2 -0.2 33.6 42 383 A L H X>S+ 0 0 28 -4,-2.4 5,-2.1 1,-0.2 6,-1.3 0.914 110.1 48.1 -55.9 -40.2 26.0 -0.4 33.0 43 384 A V H <5S+ 0 0 2 -4,-2.0 -1,-0.2 4,-0.2 -2,-0.2 0.902 110.7 49.9 -65.9 -45.3 25.8 3.2 31.8 44 385 A L H <5S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.931 110.5 50.8 -55.7 -46.5 23.8 4.4 34.8 45 386 A K H <5S- 0 0 118 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.797 115.8-118.9 -63.5 -26.0 26.3 2.6 37.1 46 387 A G T <5S+ 0 0 44 -4,-1.2 -3,-0.2 2,-0.3 -2,-0.1 0.501 85.9 114.2 97.0 8.6 29.1 4.5 35.3 47 388 A E S > - 0 0 4 -2,-0.4 4,-1.8 200,-0.2 3,-1.3 -0.335 46.3-102.7 -65.8 154.3 16.6 2.7 18.8 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-1.4 1,-0.3 -1,-0.1 0.777 118.4 63.7 -53.8 -32.7 14.0 5.3 19.8 56 397 A G H 3> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.864 109.3 39.7 -60.0 -36.9 12.1 2.9 22.0 57 398 A Y H <> S+ 0 0 14 -3,-1.3 4,-3.5 2,-0.2 5,-0.3 0.760 104.6 64.8 -86.3 -28.3 15.1 2.5 24.3 58 399 A I H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.886 102.7 53.5 -60.3 -29.9 15.9 6.1 24.2 59 400 A Y H X S+ 0 0 18 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.975 111.3 42.2 -70.3 -51.5 12.6 6.5 25.9 60 401 A T H X S+ 0 0 14 -4,-1.2 4,-0.9 1,-0.2 -2,-0.2 0.908 116.0 49.9 -50.6 -52.0 13.5 3.9 28.7 61 402 A A H <>S+ 0 0 0 -4,-3.5 5,-2.2 1,-0.2 3,-0.3 0.871 106.7 58.3 -59.0 -36.3 17.0 5.5 28.9 62 403 A G H ><5S+ 0 0 8 -4,-2.1 3,-1.7 -5,-0.3 -1,-0.2 0.854 99.3 52.8 -65.0 -43.9 15.4 9.0 29.2 63 404 A K H 3<5S+ 0 0 61 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.778 108.2 55.8 -61.5 -26.0 13.3 8.4 32.3 64 405 A c T 3<5S- 0 0 19 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.407 125.6-104.0 -89.2 2.6 16.5 7.2 33.8 65 406 A G T < 5S+ 0 0 44 -3,-1.7 195,-0.8 1,-0.3 -3,-0.2 0.621 73.5 138.7 88.7 13.1 18.3 10.5 33.0 66 407 A L E < -D 259 0A 4 -5,-2.2 -1,-0.3 193,-0.2 193,-0.2 -0.587 38.6-145.4 -85.6 156.9 20.4 9.4 30.0 67 408 A V E -D 258 0A 37 191,-2.9 191,-1.7 -2,-0.2 2,-0.2 -0.936 15.3-109.1-130.7 149.0 20.6 11.8 27.1 68 409 A P E +D 257 0A 13 0, 0.0 189,-0.3 0, 0.0 3,-0.1 -0.513 34.8 172.3 -68.3 136.8 20.9 11.8 23.3 69 410 A V E - 0 0 9 187,-3.1 241,-0.6 1,-0.5 2,-0.3 0.796 62.3 -4.3-111.9 -56.0 24.3 12.9 22.2 70 411 A L E -DE 256 309A 0 186,-0.6 186,-2.9 239,-0.1 -1,-0.5 -0.974 66.0-138.1-142.2 150.5 24.5 12.3 18.4 71 412 A A E -DE 255 308A 0 237,-2.3 237,-3.7 -2,-0.3 184,-0.3 -0.856 23.7-105.2-116.9 148.3 22.1 10.7 15.9 72 413 A E E - E 0 307A 8 182,-2.8 2,-0.4 -2,-0.3 235,-0.2 -0.423 35.9-165.5 -61.5 137.2 22.6 8.3 12.9 73 414 A N E - E 0 306A 6 233,-2.4 232,-2.9 -2,-0.1 233,-1.6 -0.997 2.4-165.7-128.5 132.3 22.3 10.1 9.6 74 415 A R E - E 0 304A 53 -2,-0.4 230,-0.1 230,-0.3 16,-0.1 -0.722 39.7 -62.8-112.2 169.0 21.8 8.3 6.3 75 416 A K - 0 0 117 228,-0.6 2,-0.4 -2,-0.2 -1,-0.2 -0.073 56.6-160.2 -48.0 138.3 22.1 9.4 2.7 76 417 A S - 0 0 34 1,-0.2 3,-0.1 4,-0.1 -1,-0.1 -0.961 33.0-162.8-133.7 149.0 19.7 12.1 1.5 77 418 A S S > S+ 0 0 115 -2,-0.4 3,-0.5 1,-0.1 2,-0.3 0.933 89.7 45.0 -78.6 -59.3 18.2 13.6 -1.7 78 419 A K T 3 S+ 0 0 136 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.663 105.6 39.6 -91.0 147.1 17.0 16.8 0.0 79 420 A H T > S+ 0 0 60 -2,-0.3 3,-0.6 -3,-0.1 -1,-0.2 0.483 78.1 149.2 90.4 16.7 19.2 18.9 2.5 80 421 A S T < + 0 0 85 -3,-0.5 -2,-0.1 1,-0.2 4,-0.1 0.589 52.6 57.6 -61.0 -28.7 22.1 18.1 0.1 81 422 A S T 3 S+ 0 0 120 2,-0.1 -1,-0.2 0, 0.0 6,-0.0 0.918 89.2 87.0 -70.5 -44.9 24.4 21.1 0.4 82 423 A L S < S- 0 0 84 -3,-0.6 5,-0.0 1,-0.1 2,-0.0 -0.199 88.3-105.0 -59.3 144.4 25.0 20.8 4.1 83 424 A D >> - 0 0 117 1,-0.1 4,-2.2 2,-0.0 3,-1.0 -0.348 30.8-116.5 -66.0 149.3 27.7 18.5 5.6 84 425 A d T 34 S+ 0 0 7 1,-0.2 -1,-0.1 2,-0.2 222,-0.1 0.911 112.8 57.3 -55.9 -44.6 26.4 15.3 7.0 85 426 A V T 34 S+ 0 0 28 1,-0.2 224,-2.6 223,-0.1 -1,-0.2 0.763 116.7 34.5 -61.5 -24.1 27.5 16.1 10.6 86 427 A L T <4 S+ 0 0 122 -3,-1.0 -1,-0.2 222,-0.2 -2,-0.2 0.703 93.1 105.5-102.4 -27.1 25.5 19.4 10.6 87 428 A R S < S- 0 0 19 -4,-2.2 -7,-0.0 1,-0.1 -8,-0.0 -0.274 76.1-112.0 -55.1 134.5 22.4 18.2 8.5 88 429 A P - 0 0 63 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.320 36.5-105.5 -69.8 153.7 19.2 17.6 10.4 89 430 A T - 0 0 50 1,-0.1 -16,-0.1 -16,-0.1 -17,-0.0 -0.497 20.2-154.0 -82.5 154.0 18.0 14.0 10.6 90 431 A E - 0 0 95 1,-0.2 -1,-0.1 -2,-0.2 -17,-0.1 0.635 29.1-131.4-103.8 -14.9 15.0 12.9 8.6 91 432 A G - 0 0 7 163,-0.1 2,-0.3 159,-0.1 -1,-0.2 -0.177 23.0 -96.7 86.2 174.9 13.6 9.9 10.5 92 433 A Y E -F 251 0B 3 159,-2.0 159,-4.1 -2,-0.0 2,-0.6 -0.947 24.9-111.3-135.5 155.8 12.7 6.5 9.0 93 434 A L E -F 250 0B 21 -2,-0.3 111,-2.3 157,-0.2 2,-0.5 -0.760 20.9-153.1 -91.0 122.1 9.6 4.8 7.8 94 435 A A E +FG 249 203B 0 155,-2.5 154,-2.7 -2,-0.6 155,-1.2 -0.833 27.6 173.0 -89.3 128.7 8.2 2.0 9.8 95 436 A V E - G 0 202B 0 107,-2.4 107,-1.2 -2,-0.5 2,-0.5 -0.820 34.7-126.9-133.5 165.4 6.2 -0.3 7.5 96 437 A A E - G 0 201B 0 135,-0.4 135,-2.7 -2,-0.3 2,-0.4 -0.993 32.8-163.1-115.9 124.7 4.4 -3.7 7.6 97 438 A V E +HG 230 200B 0 103,-2.4 103,-1.8 -2,-0.5 2,-0.3 -0.893 12.6 172.9-117.4 140.8 5.7 -6.0 4.8 98 439 A V E -H 229 0B 0 131,-2.7 131,-2.3 -2,-0.4 2,-0.4 -0.846 39.6 -90.2-136.0 172.2 4.1 -9.2 3.4 99 440 A K E > -H 228 0B 27 99,-0.5 3,-1.9 -2,-0.3 129,-0.3 -0.705 27.3-137.4 -81.2 133.0 4.7 -11.6 0.5 100 441 A K T 3 S+ 0 0 76 127,-3.3 -1,-0.2 -2,-0.4 128,-0.1 0.929 105.1 64.6 -54.8 -38.3 2.9 -10.7 -2.6 101 442 A A T 3 S+ 0 0 88 126,-0.5 2,-1.2 1,-0.2 -1,-0.3 0.615 83.9 77.7 -59.0 -16.1 2.0 -14.4 -2.9 102 443 A N S X S- 0 0 55 -3,-1.9 3,-0.9 96,-0.1 -1,-0.2 -0.683 80.6-166.0 -98.6 75.3 -0.0 -14.2 0.3 103 444 A E T 3 + 0 0 163 -2,-1.2 3,-0.1 1,-0.2 -2,-0.1 -0.203 59.4 23.0 -69.9 153.5 -3.1 -12.5 -1.3 104 445 A G T 3 S+ 0 0 64 1,-0.2 2,-0.7 133,-0.0 -1,-0.2 0.649 81.7 132.7 64.9 13.2 -5.9 -10.8 0.5 105 446 A L < + 0 0 4 -3,-0.9 2,-0.2 93,-0.0 -1,-0.2 -0.899 30.2 160.1 -92.5 115.0 -3.8 -10.2 3.6 106 447 A T > - 0 0 32 -2,-0.7 3,-1.8 -3,-0.1 4,-0.4 -0.727 59.8 -91.8-124.1 176.1 -4.4 -6.6 4.6 107 448 A W G > S+ 0 0 5 125,-0.5 3,-0.6 129,-0.3 126,-0.1 0.803 127.0 55.6 -54.8 -30.7 -3.9 -4.5 7.7 108 449 A N G 3 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.398 107.0 45.7 -89.4 0.5 -7.5 -5.4 8.4 109 450 A S G < S+ 0 0 36 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.228 74.5 108.1-121.5 12.1 -7.1 -9.2 8.3 110 451 A L X + 0 0 2 -3,-0.6 3,-2.0 -4,-0.4 2,-0.1 0.591 46.0 128.2 -63.9 -8.4 -3.9 -9.5 10.3 111 452 A K T 3 S- 0 0 104 1,-0.3 35,-0.2 35,-0.1 3,-0.1 -0.326 84.0 -6.3 -60.5 123.9 -6.0 -11.0 13.1 112 453 A D T 3 S+ 0 0 92 33,-2.4 -1,-0.3 1,-0.2 34,-0.2 0.627 102.2 130.8 62.5 22.9 -4.5 -14.4 14.3 113 454 A K < - 0 0 73 -3,-2.0 34,-0.9 32,-0.2 35,-0.4 -0.482 66.3 -90.6 -89.2 170.6 -1.7 -14.3 11.5 114 455 A K - 0 0 61 32,-0.2 84,-2.1 -2,-0.2 85,-1.8 -0.690 43.8-160.4 -90.9 134.9 2.0 -14.9 12.3 115 456 A S E -ij 149 199B 0 33,-1.6 35,-1.9 -2,-0.4 2,-0.5 -0.871 14.9-157.1-122.2 147.7 4.2 -11.9 13.0 116 457 A e E -ij 150 200B 0 83,-2.2 85,-2.2 -2,-0.3 2,-0.3 -0.988 18.4-175.8-119.7 123.8 7.9 -11.1 13.0 117 458 A H E - 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