==== 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 21-DEC-06 2OCU . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,N.SINGH,M.SINHA,S.SHARMA,P.KAUR,T.P.SINGH . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 64.8 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 . 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 . 46 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 22.6 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 1 1 0 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 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 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -83.1 38.2 11.7 30.2 2 343 A T + 0 0 49 2,-0.1 2,-0.5 266,-0.0 0, 0.0 0.262 360.0 91.0 -72.2 15.4 39.1 12.1 26.6 3 344 A R - 0 0 110 25,-0.0 2,-0.4 2,-0.0 25,-0.2 -0.965 68.3-160.3-111.9 123.9 38.7 8.3 26.8 4 345 A V E -a 28 0A 0 23,-2.0 25,-2.7 -2,-0.5 2,-0.7 -0.891 10.8-147.6-111.7 132.0 35.1 7.1 26.1 5 346 A V E -a 29 0A 34 -2,-0.4 44,-3.3 23,-0.2 45,-1.5 -0.914 18.9-158.1 -97.1 114.5 33.7 3.7 27.2 6 347 A W E -ab 30 50A 2 23,-3.2 25,-2.8 -2,-0.7 2,-0.6 -0.674 11.8-131.9 -87.9 146.1 31.2 2.5 24.6 7 348 A a E -a 31 0A 0 43,-2.5 2,-0.3 -2,-0.3 25,-0.2 -0.889 18.9-159.2-105.2 115.8 28.5 -0.0 25.5 8 349 A A E -a 32 0A 0 23,-3.5 25,-2.2 -2,-0.6 2,-0.8 -0.714 11.0-140.2 -90.0 138.7 28.1 -2.9 23.1 9 350 A V E -a 33 0A 8 -2,-0.3 169,-0.5 23,-0.2 4,-0.5 -0.880 67.0 -23.1-103.0 105.0 24.9 -5.0 23.1 10 351 A G S > S- 0 0 3 23,-2.5 4,-1.9 -2,-0.8 3,-0.2 -0.001 93.0 -58.4 84.2 171.7 25.8 -8.7 22.7 11 352 A P H > S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.780 126.9 50.2 -61.1 -38.0 28.8 -10.6 21.2 12 353 A E H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -2,-0.1 0.852 112.5 46.1 -78.1 -33.6 28.9 -9.2 17.6 13 354 A E H > S+ 0 0 34 -4,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.876 111.2 55.3 -69.4 -36.6 28.7 -5.6 18.7 14 355 A Q H X S+ 0 0 67 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.947 108.7 47.0 -58.3 -47.5 31.4 -6.4 21.3 15 356 A K H X S+ 0 0 136 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.891 112.6 48.8 -64.6 -39.7 33.7 -7.7 18.6 16 357 A K H X S+ 0 0 11 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.884 111.5 50.3 -67.8 -35.2 33.0 -4.7 16.3 17 358 A b H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.913 105.0 57.8 -67.0 -41.5 33.7 -2.4 19.3 18 359 A Q H X S+ 0 0 101 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.894 106.5 48.4 -54.0 -46.0 37.0 -4.2 20.0 19 360 A Q H X S+ 0 0 92 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.913 113.4 46.4 -57.7 -49.4 38.3 -3.5 16.5 20 361 A W H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 6,-0.2 0.874 112.3 52.0 -62.6 -40.8 37.3 0.2 16.8 21 362 A S H <>S+ 0 0 12 -4,-3.1 5,-2.2 2,-0.2 7,-0.3 0.932 111.0 46.7 -60.6 -47.4 39.0 0.2 20.2 22 363 A Q H ><5S+ 0 0 146 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.937 115.9 45.3 -57.3 -52.7 42.2 -1.3 18.7 23 364 A Q H 3<5S+ 0 0 74 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.788 106.2 58.5 -64.2 -35.4 42.2 1.2 15.8 24 365 A S T ><5S- 0 0 13 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.2 0.408 113.5-113.8 -75.2 1.7 41.4 4.3 18.0 25 366 A G T < 5S- 0 0 53 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.775 71.6 -62.0 68.2 26.0 44.6 3.7 20.0 26 367 A Q T 3 S- 0 0 33 1,-0.1 4,-1.7 -27,-0.1 -25,-0.1 -0.940 77.9-113.0-143.1 167.4 20.5 -6.0 26.5 36 377 A T H > S+ 0 0 10 140,-0.4 4,-2.0 -2,-0.3 5,-0.1 0.924 117.0 54.2 -67.7 -43.7 20.0 -2.4 25.7 37 378 A D H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 106.8 51.3 -53.1 -43.3 18.5 -1.8 29.2 38 379 A D H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.897 108.5 51.8 -65.3 -37.7 21.5 -3.3 30.8 39 380 A a H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.871 107.0 53.4 -63.4 -38.6 23.7 -1.0 28.8 40 381 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.909 107.1 51.4 -62.5 -44.9 21.6 1.9 30.0 41 382 A V H X S+ 0 0 40 -4,-2.2 4,-2.5 2,-0.2 6,-0.2 0.885 105.9 55.4 -57.3 -42.7 22.2 0.9 33.6 42 383 A L H X>S+ 0 0 29 -4,-2.0 5,-2.1 2,-0.2 6,-1.3 0.923 109.4 46.8 -57.2 -41.8 26.0 0.7 32.9 43 384 A V H <5S+ 0 0 2 -4,-1.8 3,-0.5 4,-0.2 -2,-0.2 0.917 110.7 52.3 -66.8 -41.9 25.9 4.3 31.7 44 385 A L H <5S+ 0 0 48 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.898 110.9 47.4 -58.9 -43.5 23.8 5.4 34.8 45 386 A K H <5S- 0 0 119 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.683 115.4-118.9 -69.7 -24.6 26.3 3.8 37.1 46 387 A G T <5S+ 0 0 43 -4,-1.1 -3,-0.2 -3,-0.5 -2,-0.1 0.535 84.7 115.4 95.6 9.5 29.1 5.5 35.2 47 388 A E S > - 0 0 3 -2,-0.3 4,-1.3 200,-0.2 3,-1.2 -0.408 45.3-103.4 -66.3 152.9 16.6 3.7 18.9 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-1.1 1,-0.3 -1,-0.1 0.734 118.9 60.6 -55.9 -33.2 14.0 6.3 19.9 56 397 A G H 3> S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.865 109.5 43.9 -62.5 -34.6 12.0 3.9 22.1 57 398 A Y H <> S+ 0 0 12 -3,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.723 104.0 63.4 -81.0 -24.6 15.0 3.4 24.2 58 399 A I H X S+ 0 0 2 -4,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.822 102.4 52.3 -67.8 -28.5 15.8 7.1 24.2 59 400 A Y H X S+ 0 0 21 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.931 111.0 45.2 -71.0 -48.3 12.5 7.5 26.0 60 401 A T H X S+ 0 0 14 -4,-1.2 4,-1.1 2,-0.2 3,-0.3 0.938 116.5 46.2 -52.0 -55.5 13.5 4.9 28.7 61 402 A A H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-0.2 0.867 108.9 56.7 -59.2 -39.7 17.0 6.5 29.0 62 403 A G H ><5S+ 0 0 8 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.818 101.3 54.1 -65.4 -36.2 15.5 10.0 29.2 63 404 A K H 3<5S+ 0 0 44 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.823 108.0 53.4 -66.6 -30.1 13.3 9.2 32.2 64 405 A c T 3<5S- 0 0 19 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.347 128.4-100.7 -84.2 3.5 16.5 8.0 33.8 65 406 A G T < 5S+ 0 0 44 -3,-1.3 195,-0.9 1,-0.3 -3,-0.2 0.639 74.5 140.6 90.4 13.5 18.2 11.4 33.1 66 407 A L E < -D 259 0A 3 -5,-2.4 -1,-0.3 193,-0.2 193,-0.2 -0.597 37.1-144.8 -86.0 152.7 20.3 10.4 30.0 67 408 A V E -D 258 0A 39 191,-3.5 191,-1.8 -2,-0.2 2,-0.3 -0.880 15.4-111.9-123.7 149.8 20.6 12.9 27.1 68 409 A P E +D 257 0A 13 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.607 34.5 172.4 -70.1 136.6 20.8 12.8 23.4 69 410 A V E - 0 0 11 187,-3.1 241,-0.5 1,-0.5 2,-0.3 0.754 61.4 -2.7-114.0 -47.3 24.3 14.0 22.2 70 411 A L E -DE 256 309A 0 186,-0.8 186,-3.1 239,-0.2 -1,-0.5 -0.978 66.7-136.0-151.5 148.7 24.5 13.4 18.5 71 412 A A E -DE 255 308A 0 237,-2.5 237,-3.0 -2,-0.3 184,-0.3 -0.849 22.9-106.3-116.3 148.6 22.1 11.8 15.9 72 413 A E E - E 0 307A 11 182,-3.0 2,-0.5 -2,-0.3 235,-0.2 -0.479 36.4-157.4 -61.8 134.3 22.4 9.4 13.0 73 414 A N E - E 0 306A 5 233,-2.3 232,-2.6 -2,-0.2 233,-1.4 -0.981 7.0-144.9-124.4 125.7 22.2 11.3 9.8 74 415 A R E - E 0 304A 46 -2,-0.5 2,-1.8 230,-0.2 230,-0.1 -0.420 26.1 -99.7 -91.5 163.7 21.1 9.5 6.7 75 416 A K + 0 0 101 228,-0.6 2,-0.4 -2,-0.1 -1,-0.1 -0.523 66.8 139.2 -83.9 70.2 22.1 10.0 3.0 76 417 A S - 0 0 38 -2,-1.8 2,-0.2 2,-0.1 14,-0.0 -0.975 48.5-133.9-120.3 138.4 19.2 12.0 1.8 77 418 A S + 0 0 108 -2,-0.4 3,-0.3 2,-0.0 2,-0.2 -0.061 64.6 97.6-100.3 29.1 19.8 14.8 -0.6 78 419 A K S S+ 0 0 164 -2,-0.2 -2,-0.1 1,-0.2 0, 0.0 -0.636 73.3 51.9 -96.6 172.2 17.9 18.0 0.4 79 420 A H S > S- 0 0 86 -2,-0.2 3,-1.9 2,-0.0 -1,-0.2 0.781 85.5-175.1 65.0 30.1 19.8 20.8 2.3 80 421 A S T 3 + 0 0 108 -3,-0.3 -2,-0.1 1,-0.3 -4,-0.0 0.676 66.0 35.1 -25.9 -63.5 22.1 20.1 -0.6 81 422 A S T 3 S+ 0 0 125 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.713 93.1 105.9 -73.7 -24.6 25.1 22.3 0.3 82 423 A L S < S- 0 0 89 -3,-1.9 5,-0.1 1,-0.1 -4,-0.0 -0.356 76.4-111.4 -68.6 133.3 25.0 21.9 4.0 83 424 A D >> - 0 0 103 1,-0.1 4,-1.6 -2,-0.1 3,-1.2 -0.293 25.6-117.4 -60.5 143.9 27.6 19.6 5.7 84 425 A d T 34 S+ 0 0 9 1,-0.2 3,-0.2 2,-0.2 222,-0.1 0.867 111.4 56.2 -52.6 -42.5 26.4 16.3 7.2 85 426 A V T 34 S+ 0 0 26 1,-0.2 224,-2.5 223,-0.2 -1,-0.2 0.751 115.9 37.1 -64.3 -24.1 27.3 17.2 10.8 86 427 A L T <4 S+ 0 0 104 -3,-1.2 -1,-0.2 222,-0.2 -2,-0.2 0.576 92.4 107.1-104.0 -16.9 25.3 20.4 10.7 87 428 A R S < S- 0 0 25 -4,-1.6 -8,-0.0 -3,-0.2 221,-0.0 -0.380 75.2-112.7 -65.3 136.6 22.3 19.2 8.6 88 429 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.327 35.0-103.6 -65.5 155.6 19.0 18.6 10.4 89 430 A T - 0 0 51 1,-0.1 -16,-0.1 -16,-0.1 -17,-0.0 -0.637 23.4-159.5 -84.6 140.9 17.8 15.0 10.8 90 431 A E - 0 0 76 -2,-0.3 -1,-0.1 1,-0.1 -17,-0.1 0.681 31.2-132.2 -93.9 -21.3 14.9 13.9 8.5 91 432 A G - 0 0 10 159,-0.1 2,-0.3 163,-0.1 -1,-0.1 -0.089 19.0 -96.9 89.2 164.5 13.6 11.0 10.4 92 433 A Y E -F 251 0B 5 159,-2.3 159,-3.8 -2,-0.0 2,-0.6 -0.838 29.6-108.0-120.7 164.7 12.8 7.5 9.0 93 434 A L E -F 250 0B 17 -2,-0.3 111,-1.9 157,-0.2 2,-0.5 -0.792 18.7-146.3 -98.4 123.6 9.6 5.9 7.9 94 435 A A E +FG 249 203B 0 155,-3.0 154,-3.0 -2,-0.6 155,-1.0 -0.732 31.9 172.9 -81.4 123.1 7.9 3.2 10.0 95 436 A V E - G 0 202B 1 107,-2.6 107,-1.5 -2,-0.5 2,-0.5 -0.903 33.6-134.6-131.4 161.4 6.2 0.7 7.5 96 437 A A E - G 0 201B 0 135,-0.4 135,-2.6 -2,-0.3 2,-0.4 -0.986 29.9-163.1-115.2 123.4 4.4 -2.7 7.7 97 438 A V E +HG 230 200B 0 103,-2.5 103,-2.3 -2,-0.5 2,-0.3 -0.908 14.1 169.6-116.4 139.7 5.7 -5.0 4.9 98 439 A V E -H 229 0B 0 131,-2.4 131,-2.6 -2,-0.4 2,-0.3 -0.832 39.9 -91.4-133.4 170.0 4.1 -8.2 3.5 99 440 A K E > -H 228 0B 34 99,-0.5 3,-1.0 -2,-0.3 129,-0.3 -0.674 27.5-131.2 -81.3 143.6 4.7 -10.5 0.5 100 441 A K T 3 S+ 0 0 85 127,-2.4 -1,-0.1 -2,-0.3 128,-0.1 0.906 106.3 63.0 -55.5 -41.5 2.8 -9.7 -2.7 101 442 A A T 3 S+ 0 0 84 126,-0.4 2,-1.8 1,-0.2 -1,-0.2 0.686 82.9 80.2 -61.4 -20.5 1.8 -13.4 -2.9 102 443 A N S X S- 0 0 54 -3,-1.0 3,-1.0 96,-0.1 -1,-0.2 -0.560 78.4-170.3 -87.6 73.2 -0.1 -13.0 0.3 103 444 A E T 3 + 0 0 161 -2,-1.8 3,-0.1 1,-0.2 -2,-0.1 -0.240 60.5 24.6 -68.6 152.2 -3.1 -11.4 -1.4 104 445 A G T 3 S+ 0 0 62 1,-0.2 2,-0.7 0, 0.0 -1,-0.2 0.674 83.2 129.0 66.1 13.5 -5.9 -9.9 0.6 105 446 A L < + 0 0 4 -3,-1.0 2,-0.2 93,-0.0 -1,-0.2 -0.938 30.9 153.4 -95.1 117.6 -3.8 -9.2 3.6 106 447 A T > - 0 0 29 -2,-0.7 3,-1.9 -3,-0.1 131,-0.1 -0.795 62.1 -89.9-130.4 176.9 -4.3 -5.6 4.5 107 448 A W G > S+ 0 0 8 125,-0.5 3,-1.2 129,-0.3 4,-0.2 0.872 125.0 59.5 -55.1 -39.4 -4.0 -3.5 7.7 108 449 A N G 3 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.492 106.6 45.6 -69.9 -6.7 -7.7 -4.3 8.4 109 450 A S G < S+ 0 0 40 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.006 74.0 112.4-127.1 32.3 -7.1 -8.1 8.4 110 451 A L X + 0 0 1 -3,-1.2 3,-2.3 2,-0.1 -2,-0.1 0.729 42.6 115.0 -77.3 -23.2 -4.0 -8.4 10.6 111 452 A K T 3 S+ 0 0 102 1,-0.3 35,-0.2 -4,-0.2 3,-0.1 -0.229 86.7 7.0 -52.9 132.0 -5.8 -10.1 13.5 112 453 A D T 3 S+ 0 0 92 33,-2.8 -1,-0.3 1,-0.2 34,-0.2 0.493 101.0 124.4 71.2 4.8 -4.5 -13.7 14.1 113 454 A K < - 0 0 70 -3,-2.3 34,-1.9 32,-0.2 35,-0.7 -0.316 69.0 -97.7 -83.2 177.0 -1.8 -13.4 11.5 114 455 A K E -i 148 0B 61 32,-0.2 84,-3.1 33,-0.2 85,-1.7 -0.862 42.1-159.7-100.5 129.7 2.0 -14.0 12.2 115 456 A S E -ij 149 199B 0 33,-2.0 35,-1.5 -2,-0.5 2,-0.4 -0.840 16.4-155.9-119.1 151.4 4.2 -10.9 13.0 116 457 A e E -ij 150 200B 0 83,-2.1 85,-2.4 -2,-0.3 2,-0.3 -0.991 19.0-177.4-123.1 120.3 7.9 -10.0 13.0 117 458 A H E - 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