==== 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 11-OCT-06 2E0S . COMPND 2 MOLECULE: LACTOTRANSFERRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.MIR,R.PREM KUMAR,N.SINGH,M.SINHA,S.SHARMA,A.BHUSHAN,P.KAUR . 341 2 10 9 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 65.4 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 . 34 10.0 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 . 12 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 23.2 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 1 0 2 2 0 0 1 1 0 0 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 1 4 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 0 251 0, 0.0 264,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -69.8 39.7 11.0 31.1 2 343 A T + 0 0 75 2,-0.1 2,-0.5 266,-0.0 0, 0.0 0.077 360.0 105.8 -86.5 18.9 39.4 11.7 27.3 3 344 A R - 0 0 127 25,-0.0 2,-0.4 2,-0.0 25,-0.2 -0.893 60.1-153.3-100.6 129.3 38.8 7.9 27.0 4 345 A V E -a 28 0A 1 23,-2.5 25,-2.7 -2,-0.5 2,-0.7 -0.858 5.8-144.3-103.6 132.9 35.1 6.9 26.2 5 346 A V E -a 29 0A 23 -2,-0.4 44,-3.0 23,-0.2 45,-1.5 -0.895 16.7-155.3 -96.1 111.5 33.6 3.5 27.2 6 347 A W E -ab 30 50A 2 23,-3.4 25,-3.0 -2,-0.7 2,-0.6 -0.609 9.7-135.6 -80.5 140.8 31.2 2.2 24.5 7 348 A a E -a 31 0A 1 43,-2.2 2,-0.4 -2,-0.3 45,-0.2 -0.904 18.9-160.5 -98.5 120.8 28.5 -0.2 25.5 8 349 A A E -a 32 0A 0 23,-2.9 25,-2.4 -2,-0.6 2,-0.8 -0.794 11.7-138.9 -97.9 137.0 28.1 -3.2 23.1 9 350 A V E > -a 33 0A 11 -2,-0.4 4,-0.5 23,-0.2 169,-0.5 -0.849 67.7 -21.3 -96.4 107.9 24.9 -5.3 23.1 10 351 A G H > S- 0 0 3 23,-2.7 4,-1.4 -2,-0.8 3,-0.2 -0.033 93.4 -61.2 85.6 170.7 25.7 -9.0 22.7 11 352 A P H > S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.696 125.8 52.9 -67.7 -26.8 28.8 -10.8 21.4 12 353 A E H > S+ 0 0 83 2,-0.2 4,-1.9 -3,-0.2 5,-0.2 0.860 110.9 46.5 -81.3 -37.5 28.9 -9.5 17.7 13 354 A E H X S+ 0 0 33 -4,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.847 109.5 57.2 -65.3 -36.1 28.8 -5.8 18.7 14 355 A Q H X S+ 0 0 72 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.945 106.6 48.7 -60.1 -49.1 31.5 -6.7 21.3 15 356 A K H X S+ 0 0 131 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.910 113.2 45.3 -55.6 -50.9 33.7 -7.9 18.5 16 357 A K H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.909 113.6 51.7 -58.0 -44.3 33.2 -4.8 16.3 17 358 A b H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.933 106.1 53.7 -58.7 -44.7 33.7 -2.7 19.4 18 359 A Q H X S+ 0 0 108 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.867 109.5 48.5 -59.4 -37.3 37.0 -4.5 20.2 19 360 A Q H X S+ 0 0 98 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.897 111.9 48.4 -65.3 -46.1 38.2 -3.7 16.6 20 361 A W H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.912 111.4 51.6 -56.9 -47.8 37.2 -0.0 16.9 21 362 A S H <>S+ 0 0 10 -4,-3.0 5,-2.4 2,-0.2 7,-0.3 0.932 110.3 47.6 -56.9 -52.7 39.0 0.1 20.3 22 363 A Q H ><5S+ 0 0 143 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.912 114.7 46.3 -49.2 -50.9 42.2 -1.3 18.9 23 364 A Q H 3<5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.735 107.9 56.2 -68.8 -26.1 42.2 1.1 15.9 24 365 A S T ><5S- 0 0 8 -4,-1.7 3,-1.5 4,-0.2 -1,-0.3 0.279 112.9-115.7 -89.6 8.7 41.4 4.1 18.1 25 366 A G T < 5S- 0 0 58 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.824 72.7 -57.9 58.9 34.2 44.5 3.5 20.2 26 367 A Q T 3 S- 0 0 34 1,-0.1 4,-1.7 -27,-0.1 -25,-0.1 -0.920 76.6-117.3-138.9 162.9 20.5 -6.4 26.5 36 377 A T H > S+ 0 0 9 140,-0.4 4,-2.0 -2,-0.3 5,-0.2 0.895 116.5 54.4 -66.0 -42.4 20.0 -2.7 25.6 37 378 A D H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 106.2 51.9 -57.0 -43.5 18.4 -2.1 29.0 38 379 A D H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 107.5 53.0 -62.8 -38.7 21.5 -3.6 30.7 39 380 A a H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.883 105.7 53.3 -59.6 -41.0 23.7 -1.3 28.7 40 381 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.864 107.7 52.2 -61.5 -38.0 21.6 1.7 30.0 41 382 A V H X S+ 0 0 41 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.886 106.6 52.2 -65.4 -39.9 22.1 0.5 33.5 42 383 A L H X>S+ 0 0 30 -4,-1.8 5,-2.2 2,-0.2 6,-1.4 0.895 110.0 49.7 -61.0 -39.8 25.9 0.4 32.9 43 384 A V H ><5S+ 0 0 2 -4,-1.9 3,-1.1 4,-0.2 -2,-0.2 0.937 109.1 51.3 -66.2 -43.2 25.7 4.0 31.7 44 385 A L H 3<5S+ 0 0 49 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.860 109.7 50.3 -61.4 -38.6 23.7 5.2 34.7 45 386 A K H 3<5S- 0 0 117 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.646 115.6-115.4 -72.0 -16.6 26.3 3.6 37.1 46 387 A G T <<5S+ 0 0 45 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.580 86.5 116.4 86.1 13.7 29.2 5.3 35.2 47 388 A E S > - 0 0 4 -2,-0.4 4,-1.8 200,-0.2 3,-1.1 -0.421 44.7-101.2 -64.6 152.0 16.6 3.4 18.9 55 396 A G H 3> S+ 0 0 0 197,-0.5 4,-1.5 1,-0.3 67,-0.1 0.811 121.0 56.9 -43.8 -46.2 13.9 6.0 19.7 56 397 A G H 3> S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.842 110.5 44.2 -58.9 -35.9 12.0 3.6 22.0 57 398 A Y H <> S+ 0 0 12 -3,-1.1 4,-2.8 2,-0.2 5,-0.2 0.770 104.3 62.1 -78.9 -29.7 15.1 3.1 24.1 58 399 A I H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.878 103.1 53.7 -61.7 -33.5 15.9 6.8 24.1 59 400 A Y H X S+ 0 0 16 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.923 110.6 44.1 -63.8 -49.4 12.5 7.1 25.9 60 401 A T H < S+ 0 0 12 -4,-1.1 4,-0.4 1,-0.2 281,-0.3 0.894 117.4 46.1 -52.9 -48.8 13.6 4.6 28.6 61 402 A A H ><>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-0.7 0.848 108.9 55.6 -69.3 -34.2 17.0 6.2 29.0 62 403 A G H ><5S+ 0 0 8 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.860 99.6 57.7 -71.0 -40.0 15.6 9.8 29.1 63 404 A K T 3<5S+ 0 0 62 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.677 107.0 52.3 -60.2 -20.1 13.3 9.1 32.0 64 405 A c T < 5S- 0 0 22 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.295 128.5 -97.7-100.3 4.3 16.5 8.0 33.8 65 406 A G T < 5S+ 0 0 42 -3,-1.7 195,-0.7 1,-0.3 -3,-0.2 0.435 76.6 138.7 97.2 2.4 18.3 11.3 33.0 66 407 A L E < -D 259 0A 4 -5,-2.4 -1,-0.3 193,-0.2 193,-0.2 -0.509 38.4-147.3 -77.0 153.7 20.3 10.2 30.0 67 408 A V E -D 258 0A 37 191,-3.0 191,-1.9 -2,-0.2 2,-0.2 -0.898 16.7-108.4-126.9 147.0 20.5 12.7 27.1 68 409 A P E +D 257 0A 12 0, 0.0 189,-0.2 0, 0.0 3,-0.1 -0.538 36.8 172.1 -66.8 137.9 20.8 12.6 23.2 69 410 A V E - 0 0 8 187,-2.9 241,-0.5 1,-0.5 2,-0.3 0.766 61.0 -2.5-117.8 -55.7 24.2 13.7 22.1 70 411 A L E -DE 256 309A 0 186,-0.6 186,-3.0 239,-0.1 -1,-0.5 -0.967 67.5-138.8-138.6 151.3 24.6 13.1 18.3 71 412 A A E -DE 255 308A 0 237,-2.2 237,-3.1 -2,-0.3 184,-0.3 -0.864 22.0-107.9-112.7 146.0 22.1 11.5 15.8 72 413 A E E - E 0 307A 10 182,-2.7 2,-0.4 -2,-0.3 235,-0.2 -0.480 36.7-169.2 -61.2 135.8 22.6 9.1 13.0 73 414 A N E - E 0 306A 3 233,-2.4 232,-2.1 -2,-0.2 233,-1.8 -0.996 2.0-169.2-128.1 128.2 22.1 10.9 9.7 74 415 A R - 0 0 46 -2,-0.4 230,-0.1 230,-0.3 16,-0.1 -0.533 42.6 -61.9-102.5 178.9 21.8 9.0 6.4 75 416 A K - 0 0 122 228,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.325 54.0-170.2 -64.9 137.5 21.9 10.4 2.9 76 417 A S - 0 0 29 2,-0.1 -1,-0.0 1,-0.1 13,-0.0 -0.890 28.5-147.7-122.3 159.9 19.2 12.9 1.8 77 418 A S S S+ 0 0 123 -2,-0.3 3,-0.3 2,-0.0 2,-0.2 0.682 88.7 57.3 -94.3 -23.4 18.1 14.5 -1.5 78 419 A K S S+ 0 0 128 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.538 102.1 30.8 -95.0 169.1 17.1 17.8 0.2 79 420 A H S > S+ 0 0 61 -2,-0.2 3,-1.2 1,-0.1 -1,-0.2 0.618 72.8 148.2 58.8 15.5 19.4 20.0 2.4 80 421 A S T 3 + 0 0 94 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.674 55.6 71.9 -57.4 -22.1 22.3 18.8 0.2 81 422 A S T 3 S+ 0 0 111 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.933 86.0 73.5 -57.6 -50.4 24.0 22.1 0.7 82 423 A L S < S- 0 0 78 -3,-1.2 5,-0.1 1,-0.1 0, 0.0 -0.310 91.1-102.7 -74.5 148.2 25.0 21.6 4.3 83 424 A D >> - 0 0 106 1,-0.1 4,-1.0 3,-0.1 3,-0.6 -0.265 36.2-111.0 -60.6 153.6 27.7 19.3 5.6 84 425 A d G >4 S+ 0 0 7 1,-0.2 3,-1.1 2,-0.2 222,-0.1 0.938 115.5 54.6 -55.9 -48.6 26.4 16.0 7.0 85 426 A V G 34 S+ 0 0 26 1,-0.2 224,-2.6 223,-0.2 -1,-0.2 0.791 115.8 38.1 -56.3 -31.4 27.4 16.9 10.6 86 427 A L G <4 S+ 0 0 105 -3,-0.6 -1,-0.2 222,-0.2 -2,-0.2 0.495 93.4 107.2-100.4 -6.5 25.4 20.1 10.5 87 428 A R S << S- 0 0 16 -3,-1.1 -7,-0.0 -4,-1.0 -8,-0.0 -0.534 75.2-109.6 -81.8 136.0 22.4 18.9 8.5 88 429 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.311 35.1-114.9 -59.8 146.1 19.0 18.4 10.2 89 430 A T - 0 0 49 221,-0.1 -16,-0.1 1,-0.1 -17,-0.0 -0.520 19.1-157.2 -81.8 152.5 17.9 14.7 10.5 90 431 A E - 0 0 91 -2,-0.2 -1,-0.1 -16,-0.1 -17,-0.1 0.737 29.0-127.7-106.2 -27.2 14.8 13.6 8.6 91 432 A G - 0 0 9 159,-0.1 2,-0.3 163,-0.1 -1,-0.1 -0.104 22.6 -96.3 95.8 156.6 13.5 10.5 10.4 92 433 A Y E -F 251 0B 4 159,-1.7 159,-3.7 -2,-0.1 2,-0.7 -0.744 30.1-108.9-113.5 164.5 12.8 7.2 9.0 93 434 A L E -F 250 0B 21 -2,-0.3 111,-2.1 157,-0.2 2,-0.4 -0.830 21.6-147.7 -94.1 116.6 9.6 5.6 7.8 94 435 A A E +FG 249 203B 1 155,-2.3 154,-3.2 -2,-0.7 155,-0.9 -0.722 31.1 173.8 -73.9 127.7 8.1 2.9 9.9 95 436 A V E - G 0 202B 1 107,-2.6 107,-1.8 -2,-0.4 2,-0.5 -0.887 34.3-130.3-133.2 160.9 6.3 0.4 7.5 96 437 A A E -HG 231 201B 0 135,-0.5 135,-2.4 -2,-0.3 2,-0.4 -0.976 30.9-161.5-111.3 130.3 4.5 -3.0 7.6 97 438 A V E +HG 230 200B 0 103,-2.5 103,-2.1 -2,-0.5 2,-0.3 -0.922 14.7 168.9-120.4 137.1 5.7 -5.3 4.9 98 439 A V E -H 229 0B 0 131,-2.8 131,-2.6 -2,-0.4 2,-0.4 -0.853 40.1 -93.1-133.5 167.2 4.1 -8.5 3.5 99 440 A K E > -H 228 0B 34 99,-0.4 3,-1.4 -2,-0.3 129,-0.3 -0.702 26.8-132.8 -76.8 134.3 4.8 -10.8 0.5 100 441 A K T 3 S+ 0 0 95 127,-2.5 128,-0.1 -2,-0.4 -1,-0.1 0.911 107.0 63.3 -45.7 -45.2 2.8 -10.0 -2.6 101 442 A A T 3 S+ 0 0 83 126,-0.4 2,-1.6 1,-0.2 -1,-0.2 0.679 82.7 80.4 -58.6 -23.5 1.9 -13.7 -2.8 102 443 A N S X S- 0 0 53 -3,-1.4 3,-1.1 96,-0.1 -1,-0.2 -0.635 81.5-165.0 -85.0 77.8 0.0 -13.4 0.5 103 444 A E T 3 + 0 0 162 -2,-1.6 3,-0.1 1,-0.2 -2,-0.1 -0.261 59.7 17.9 -77.1 149.9 -3.0 -11.9 -1.3 104 445 A G T 3 S+ 0 0 62 1,-0.2 2,-0.7 -2,-0.0 -1,-0.2 0.575 83.2 132.0 65.0 5.0 -5.8 -10.1 0.5 105 446 A L < + 0 0 3 -3,-1.1 2,-0.3 93,-0.0 -1,-0.2 -0.855 30.6 156.5 -81.9 118.6 -3.7 -9.6 3.6 106 447 A T > - 0 0 29 -2,-0.7 3,-2.2 -3,-0.1 131,-0.1 -0.788 61.5 -86.6-131.0 173.4 -4.2 -5.9 4.5 107 448 A W G > S+ 0 0 9 125,-0.5 3,-1.0 129,-0.4 4,-0.2 0.845 127.1 57.5 -47.6 -39.6 -3.9 -3.8 7.7 108 449 A N G 3 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.397 105.6 48.1 -80.0 3.5 -7.5 -4.8 8.4 109 450 A S G < S+ 0 0 39 -3,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.061 74.5 108.7-128.7 29.1 -6.9 -8.6 8.4 110 451 A L X + 0 0 2 -3,-1.0 3,-2.2 2,-0.1 -2,-0.1 0.742 46.5 112.2 -73.9 -26.8 -3.8 -8.7 10.6 111 452 A K T 3 S+ 0 0 107 1,-0.3 35,-0.2 -4,-0.2 3,-0.1 -0.244 87.9 7.0 -55.4 133.9 -5.6 -10.3 13.5 112 453 A D T 3 S+ 0 0 95 33,-2.7 -1,-0.3 1,-0.3 34,-0.2 0.530 102.1 121.6 65.6 11.4 -4.5 -13.9 14.1 113 454 A K S < S- 0 0 67 -3,-2.2 34,-1.8 32,-0.2 35,-0.6 -0.415 70.5 -97.2 -88.2 178.3 -1.6 -13.7 11.6 114 455 A K E -i 148 0B 65 32,-0.2 84,-2.4 33,-0.2 85,-1.6 -0.840 41.1-158.9-100.1 126.4 2.1 -14.2 12.4 115 456 A S E -ij 149 199B 0 33,-1.8 35,-1.6 -2,-0.4 2,-0.4 -0.783 14.9-154.0-116.7 156.4 4.2 -11.2 13.0 116 457 A e E -ij 150 200B 0 83,-1.7 85,-2.4 -2,-0.3 2,-0.3 -0.989 19.9-177.1-127.8 117.8 7.9 -10.3 13.0 117 458 A H - 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